# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_audit_block_doi                 10.5517/ccdc.csd.cc268y9r
_database_code_depnum_ccdc_archive 'CCDC 2034384'
loop_
_audit_author_name
_audit_author_address
'Heng Zhang'
;Jilin University
China
;
_audit_update_record             
;
2020-09-28 deposited with the CCDC.	2021-01-26 downloaded from the CCDC.
;
_audit_creation_date             2020-09-18
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C35 H25 F N2 O2, C2 H6 O'
_chemical_formula_sum            'C37 H31 F N2 O3'
_chemical_formula_weight         570.64
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.2076(15)
_cell_length_b                   22.780(3)
_cell_length_c                   10.9946(13)
_cell_angle_alpha                90
_cell_angle_beta                 105.542(2)
_cell_angle_gamma                90
_cell_volume                     2945.7(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2034
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      20.07
_cell_measurement_theta_min      2.39
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.086
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.287
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1200
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0515
_diffrn_reflns_av_unetI/netI     0.0626
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            16226
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.403
_diffrn_reflns_theta_min         1.731
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           40.0
_diffrn_source_power             2.0
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3257
_reflns_number_total             6030
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.439
_refine_diff_density_min         -0.443
_refine_diff_density_rms         0.047
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     390
_refine_ls_number_reflns         6030
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1320
_refine_ls_R_factor_gt           0.0736
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1070P)²+0.3608P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1888
_refine_ls_wR_factor_ref         0.2238
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Riding coordinates:
 O3(H3A)
2.b Ternary CH refined with riding coordinates:
 C7(H7), C9(H9), C20(H20)
2.c Secondary CH2 refined with riding coordinates:
 C36(H36A,H36B)
2.d Aromatic/amide H refined with riding coordinates:
 N1(H1), C2(H2), C3(H3), C5(H5), C12(H12), C13(H13), C14(H14), C15(H15),
 C17(H17), C18(H18), C22(H22), C23(H23), C24(H24), C25(H25), C26(H26), C30(H30),
  C31(H31), C32(H32), C33(H33)
2.e Idealised Me refined as rotating group:
 C35(H35A,H35B,H35C), C37(H37A,H37B,H37C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
F1 F -0.1549(2) 0.65961(15) 0.5018(3) 0.1484(13) Uani 1 1 d . . . . .
O1 O 0.31494(18) 0.76120(9) 0.3770(2) 0.0600(6) Uani 1 1 d . . . . .
O2 O 0.2154(2) 0.56078(10) 0.3680(2) 0.0676(7) Uani 1 1 d . . . . .
N1 N 0.2895(3) 0.67991(13) 0.4960(2) 0.0680(8) Uani 1 1 d . . . . .
H1 H 0.351803 0.672506 0.552448 0.082 Uiso 1 1 calc R U . . .
N2 N 0.0522(2) 0.55181(11) 0.2085(3) 0.0581(7) Uani 1 1 d . . . . .
C1 C 0.1815(3) 0.67421(14) 0.5146(3) 0.0594(9) Uani 1 1 d . . . . .
C2 C 0.1512(4) 0.66131(17) 0.6237(3) 0.0764(11) Uani 1 1 d . . . . .
H2 H 0.206333 0.655933 0.699685 0.092 Uiso 1 1 calc R U . . .
C3 C 0.0377(5) 0.65657(19) 0.6175(5) 0.0959(15) Uani 1 1 d . . . . .
H3 H 0.015577 0.648535 0.690443 0.115 Uiso 1 1 calc R U . . .
C4 C -0.0433(4) 0.6636(2) 0.5049(5) 0.0940(15) Uani 1 1 d . . . . .
C5 C -0.0165(3) 0.67592(16) 0.3938(4) 0.0724(11) Uani 1 1 d . . . . .
H5 H -0.072624 0.680872 0.318457 0.087 Uiso 1 1 calc R U . . .
C6 C 0.0981(3) 0.68068(14) 0.3992(3) 0.0567(8) Uani 1 1 d . . . . .
C7 C 0.1573(3) 0.69132(13) 0.2983(3) 0.0496(8) Uani 1 1 d . . . . .
H7 H 0.127661 0.726763 0.250164 0.060 Uiso 1 1 calc R U . . .
C8 C 0.2831(3) 0.69962(14) 0.3713(3) 0.0508(8) Uani 1 1 d . . . . .
C9 C 0.3565(2) 0.66796(13) 0.2968(3) 0.0466(7) Uani 1 1 d . . . . .
H9 H 0.399240 0.635248 0.345053 0.056 Uiso 1 1 calc R U . . .
C10 C 0.4346(2) 0.71606(13) 0.2761(3) 0.0461(7) Uani 1 1 d . . . . .
C11 C 0.5247(2) 0.71607(13) 0.2174(3) 0.0479(7) Uani 1 1 d . . . . .
C12 C 0.5672(3) 0.66518(15) 0.1716(3) 0.0628(9) Uani 1 1 d . . . . .
H12 H 0.535524 0.628776 0.180103 0.075 Uiso 1 1 calc R U . . .
C13 C 0.6533(3) 0.66878(17) 0.1155(4) 0.0804(12) Uani 1 1 d . . . . .
H13 H 0.680636 0.634744 0.087116 0.096 Uiso 1 1 calc R U . . .
C14 C 0.7021(3) 0.72337(18) 0.0996(4) 0.0784(11) Uani 1 1 d . . . . .
H14 H 0.759849 0.725262 0.059169 0.094 Uiso 1 1 calc R U . . .
C15 C 0.6651(3) 0.77273(16) 0.1428(3) 0.0668(10) Uani 1 1 d . . . . .
H15 H 0.697970 0.808527 0.132261 0.080 Uiso 1 1 calc R U . . .
C16 C 0.5771(3) 0.77109(13) 0.2040(3) 0.0515(8) Uani 1 1 d . . . . .
C17 C 0.5384(3) 0.82226(15) 0.2515(3) 0.0660(10) Uani 1 1 d . . . . .
H17 H 0.571739 0.858048 0.241863 0.079 Uiso 1 1 calc R U . . .
C18 C 0.4539(3) 0.82116(15) 0.3109(3) 0.0656(10) Uani 1 1 d . . . . .
H18 H 0.430730 0.855216 0.343613 0.079 Uiso 1 1 calc R U . . .
C19 C 0.4030(2) 0.76697(14) 0.3211(3) 0.0505(8) Uani 1 1 d . . . . .
C20 C 0.2714(2) 0.64651(12) 0.1740(3) 0.0436(7) Uani 1 1 d . . . . .
H20 H 0.260743 0.679340 0.114406 0.052 Uiso 1 1 calc R U . . .
C21 C 0.3031(2) 0.59407(13) 0.1065(3) 0.0477(7) Uani 1 1 d . . . . .
C22 C 0.3579(3) 0.54524(14) 0.1688(3) 0.0595(9) Uani 1 1 d . . . . .
H22 H 0.376411 0.543763 0.256471 0.071 Uiso 1 1 calc R U . . .
C23 C 0.3857(3) 0.49845(16) 0.1023(5) 0.0760(11) Uani 1 1 d . . . . .
H23 H 0.423188 0.466055 0.145660 0.091 Uiso 1 1 calc R U . . .
C24 C 0.3584(3) 0.49954(18) -0.0265(5) 0.0803(12) Uani 1 1 d . . . . .
H24 H 0.377737 0.468195 -0.070827 0.096 Uiso 1 1 calc R U . . .
C25 C 0.3023(3) 0.54731(18) -0.0899(4) 0.0754(11) Uani 1 1 d . . . . .
H25 H 0.282286 0.548110 -0.177637 0.090 Uiso 1 1 calc R U . . .
C26 C 0.2757(3) 0.59390(15) -0.0239(3) 0.0575(8) Uani 1 1 d . . . . .
H26 H 0.238395 0.626164 -0.068109 0.069 Uiso 1 1 calc R U . . .
C27 C 0.1559(2) 0.63867(13) 0.2081(3) 0.0446(7) Uani 1 1 d . . . . .
C28 C 0.1478(3) 0.57979(13) 0.2727(3) 0.0486(7) Uani 1 1 d . . . . .
C29 C -0.0058(3) 0.58407(14) 0.1028(3) 0.0525(8) Uani 1 1 d . . . . .
C30 C -0.1049(3) 0.57059(18) 0.0122(4) 0.0743(11) Uani 1 1 d . . . . .
H30 H -0.143246 0.535573 0.015204 0.089 Uiso 1 1 calc R U . . .
C31 C -0.1452(3) 0.6109(2) -0.0833(4) 0.0817(12) Uani 1 1 d . . . . .
H31 H -0.211973 0.602698 -0.145242 0.098 Uiso 1 1 calc R U . . .
C32 C -0.0893(3) 0.66280(18) -0.0891(3) 0.0679(10) Uani 1 1 d . . . . .
H32 H -0.118695 0.689211 -0.154192 0.082 Uiso 1 1 calc R U . . .
C33 C 0.0105(3) 0.67588(15) 0.0014(3) 0.0598(9) Uani 1 1 d . . . . .
H33 H 0.048670 0.710879 -0.002243 0.072 Uiso 1 1 calc R U . . .
C34 C 0.0523(2) 0.63608(13) 0.0974(3) 0.0467(7) Uani 1 1 d . . . . .
C35 C 0.0119(4) 0.49730(17) 0.2497(4) 0.0842(12) Uani 1 1 d . . . . .
H35A H 0.071115 0.480266 0.315920 0.126 Uiso 1 1 calc R U . . .
H35B H -0.008802 0.470518 0.179831 0.126 Uiso 1 1 calc R U . . .
H35C H -0.053206 0.505076 0.280409 0.126 Uiso 1 1 calc R U . . .
O3 O 0.3444(8) 0.5316(3) 0.6113(5) 0.330(6) Uani 1 1 d . . . . .
H3A H 0.337411 0.544779 0.540179 0.494 Uiso 1 1 d R U . . .
C36 C 0.3229(8) 0.4718(3) 0.6041(6) 0.200(4) Uani 1 1 d . . . . .
H36A H 0.241346 0.465621 0.583769 0.240 Uiso 1 1 calc R U . . .
H36B H 0.356229 0.454398 0.686191 0.240 Uiso 1 1 calc R U . . .
C37 C 0.3659(6) 0.4429(3) 0.5136(6) 0.154(2) Uani 1 1 d . . . . .
H37A H 0.315694 0.449209 0.431078 0.230 Uiso 1 1 calc R U . . .
H37B H 0.371395 0.401559 0.531516 0.230 Uiso 1 1 calc R U . . .
H37C H 0.439858 0.458083 0.516505 0.230 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
F1 C4 1.356(5) . ?
O1 C8 1.452(4) . ?
O1 C19 1.380(4) . ?
O2 C28 1.226(3) . ?
N1 H1 0.8600 . ?
N1 C1 1.393(4) . ?
N1 C8 1.425(4) . ?
N2 C28 1.351(4) . ?
N2 C29 1.397(4) . ?
N2 C35 1.451(4) . ?
C1 C2 1.378(5) . ?
C1 C6 1.405(5) . ?
C2 H2 0.9300 . ?
C2 C3 1.373(6) . ?
C3 H3 0.9300 . ?
C3 C4 1.371(6) . ?
C4 C5 1.375(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.389(5) . ?
C6 C7 1.497(4) . ?
C7 H7 0.9800 . ?
C7 C8 1.542(4) . ?
C7 C27 1.553(4) . ?
C8 C9 1.545(4) . ?
C9 H9 0.9800 . ?
C9 C10 1.509(4) . ?
C9 C20 1.545(4) . ?
C10 C11 1.417(4) . ?
C10 C19 1.357(4) . ?
C11 C12 1.416(4) . ?
C11 C16 1.432(4) . ?
C12 H12 0.9300 . ?
C12 C13 1.357(5) . ?
C13 H13 0.9300 . ?
C13 C14 1.409(5) . ?
C14 H14 0.9300 . ?
C14 C15 1.345(5) . ?
C15 H15 0.9300 . ?
C15 C16 1.413(4) . ?
C16 C17 1.409(4) . ?
C17 H17 0.9300 . ?
C17 C18 1.361(5) . ?
C18 H18 0.9300 . ?
C18 C19 1.400(4) . ?
C20 H20 0.9800 . ?
C20 C21 1.510(4) . ?
C20 C27 1.563(4) . ?
C21 C22 1.381(4) . ?
C21 C26 1.383(4) . ?
C22 H22 0.9300 . ?
C22 C23 1.385(5) . ?
C23 H23 0.9300 . ?
C23 C24 1.364(6) . ?
C24 H24 0.9300 . ?
C24 C25 1.372(6) . ?
C25 H25 0.9300 . ?
C25 C26 1.372(5) . ?
C26 H26 0.9300 . ?
C27 C28 1.533(4) . ?
C27 C34 1.503(4) . ?
C29 C30 1.381(4) . ?
C29 C34 1.390(4) . ?
C30 H30 0.9300 . ?
C30 C31 1.382(5) . ?
C31 H31 0.9300 . ?
C31 C32 1.376(5) . ?
C32 H32 0.9300 . ?
C32 C33 1.383(5) . ?
C33 H33 0.9300 . ?
C33 C34 1.381(4) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
O3 H3A 0.8199 . ?
O3 C36 1.386(10) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C36 C37 1.407(8) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C19 O1 C8 107.7(2) . . ?
C1 N1 H1 124.4 . . ?
C1 N1 C8 111.2(3) . . ?
C8 N1 H1 124.4 . . ?
C28 N2 C29 111.1(3) . . ?
C28 N2 C35 123.9(3) . . ?
C29 N2 C35 124.8(3) . . ?
N1 C1 C6 110.0(3) . . ?
C2 C1 N1 129.3(4) . . ?
C2 C1 C6 120.6(3) . . ?
C1 C2 H2 120.8 . . ?
C3 C2 C1 118.5(4) . . ?
C3 C2 H2 120.8 . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.6(4) . . ?
C4 C3 H3 119.7 . . ?
F1 C4 C3 119.4(4) . . ?
F1 C4 C5 117.9(5) . . ?
C3 C4 C5 122.7(4) . . ?
C4 C5 H5 121.5 . . ?
C4 C5 C6 117.1(4) . . ?
C6 C5 H5 121.5 . . ?
C1 C6 C7 108.0(3) . . ?
C5 C6 C1 120.5(3) . . ?
C5 C6 C7 131.4(3) . . ?
C6 C7 H7 110.6 . . ?
C6 C7 C8 104.2(2) . . ?
C6 C7 C27 115.0(2) . . ?
C8 C7 H7 110.6 . . ?
C8 C7 C27 105.4(2) . . ?
C27 C7 H7 110.6 . . ?
O1 C8 C7 111.0(2) . . ?
O1 C8 C9 106.7(2) . . ?
N1 C8 O1 108.5(2) . . ?
N1 C8 C7 104.6(2) . . ?
N1 C8 C9 118.3(3) . . ?
C7 C8 C9 107.8(2) . . ?
C8 C9 H9 111.6 . . ?
C8 C9 C20 105.1(2) . . ?
C10 C9 C8 102.7(2) . . ?
C10 C9 H9 111.6 . . ?
C10 C9 C20 113.7(2) . . ?
C20 C9 H9 111.6 . . ?
C11 C10 C9 131.9(3) . . ?
C19 C10 C9 108.2(3) . . ?
C19 C10 C11 119.8(3) . . ?
C10 C11 C16 118.0(3) . . ?
C12 C11 C10 124.4(3) . . ?
C12 C11 C16 117.7(3) . . ?
C11 C12 H12 119.5 . . ?
C13 C12 C11 120.9(3) . . ?
C13 C12 H12 119.5 . . ?
C12 C13 H13 119.5 . . ?
C12 C13 C14 120.9(3) . . ?
C14 C13 H13 119.5 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 120.1(3) . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 119.5 . . ?
C14 C15 C16 121.1(3) . . ?
C16 C15 H15 119.5 . . ?
C15 C16 C11 119.3(3) . . ?
C17 C16 C11 118.9(3) . . ?
C17 C16 C15 121.9(3) . . ?
C16 C17 H17 118.8 . . ?
C18 C17 C16 122.3(3) . . ?
C18 C17 H17 118.8 . . ?
C17 C18 H18 121.2 . . ?
C17 C18 C19 117.6(3) . . ?
C19 C18 H18 121.2 . . ?
O1 C19 C18 122.3(3) . . ?
C10 C19 O1 114.4(3) . . ?
C10 C19 C18 123.3(3) . . ?
C9 C20 H20 106.3 . . ?
C9 C20 C27 105.4(2) . . ?
C21 C20 C9 118.6(2) . . ?
C21 C20 H20 106.3 . . ?
C21 C20 C27 113.2(2) . . ?
C27 C20 H20 106.3 . . ?
C22 C21 C20 123.2(3) . . ?
C22 C21 C26 117.5(3) . . ?
C26 C21 C20 119.3(3) . . ?
C21 C22 H22 119.6 . . ?
C21 C22 C23 120.8(3) . . ?
C23 C22 H22 119.6 . . ?
C22 C23 H23 119.8 . . ?
C24 C23 C22 120.5(4) . . ?
C24 C23 H23 119.8 . . ?
C23 C24 H24 120.3 . . ?
C23 C24 C25 119.4(4) . . ?
C25 C24 H24 120.3 . . ?
C24 C25 H25 119.9 . . ?
C26 C25 C24 120.1(4) . . ?
C26 C25 H25 119.9 . . ?
C21 C26 H26 119.2 . . ?
C25 C26 C21 121.6(4) . . ?
C25 C26 H26 119.2 . . ?
C7 C27 C20 102.0(2) . . ?
C28 C27 C7 111.8(2) . . ?
C28 C27 C20 112.6(2) . . ?
C34 C27 C7 114.2(2) . . ?
C34 C27 C20 115.3(2) . . ?
C34 C27 C28 101.3(2) . . ?
O2 C28 N2 124.7(3) . . ?
O2 C28 C27 126.4(3) . . ?
N2 C28 C27 109.0(3) . . ?
C30 C29 N2 129.4(3) . . ?
C30 C29 C34 121.1(3) . . ?
C34 C29 N2 109.5(3) . . ?
C29 C30 H30 121.1 . . ?
C29 C30 C31 117.8(4) . . ?
C31 C30 H30 121.1 . . ?
C30 C31 H31 119.1 . . ?
C32 C31 C30 121.7(3) . . ?
C32 C31 H31 119.1 . . ?
C31 C32 H32 119.9 . . ?
C31 C32 C33 120.3(3) . . ?
C33 C32 H32 119.9 . . ?
C32 C33 H33 120.6 . . ?
C34 C33 C32 118.9(3) . . ?
C34 C33 H33 120.6 . . ?
C29 C34 C27 109.1(3) . . ?
C33 C34 C27 130.7(3) . . ?
C33 C34 C29 120.2(3) . . ?
N2 C35 H35A 109.5 . . ?
N2 C35 H35B 109.5 . . ?
N2 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C36 O3 H3A 109.5 . . ?
O3 C36 H36A 108.8 . . ?
O3 C36 H36B 108.8 . . ?
O3 C36 C37 113.6(8) . . ?
H36A C36 H36B 107.7 . . ?
C37 C36 H36A 108.8 . . ?
C37 C36 H36B 108.8 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
F1 C4 C5 C6 179.1(3) . . . . ?
O1 C8 C9 C10 5.1(3) . . . . ?
O1 C8 C9 C20 -114.1(2) . . . . ?
N1 C1 C2 C3 -178.4(4) . . . . ?
N1 C1 C6 C5 179.1(3) . . . . ?
N1 C1 C6 C7 0.1(4) . . . . ?
N1 C8 C9 C10 -117.4(3) . . . . ?
N1 C8 C9 C20 123.4(3) . . . . ?
N2 C29 C30 C31 179.4(3) . . . . ?
N2 C29 C34 C27 -0.5(3) . . . . ?
N2 C29 C34 C33 -179.2(3) . . . . ?
C1 N1 C8 O1 104.5(3) . . . . ?
C1 N1 C8 C7 -14.0(3) . . . . ?
C1 N1 C8 C9 -133.9(3) . . . . ?
C1 C2 C3 C4 1.1(6) . . . . ?
C1 C6 C7 C8 -8.3(3) . . . . ?
C1 C6 C7 C27 106.6(3) . . . . ?
C2 C1 C6 C5 1.9(5) . . . . ?
C2 C1 C6 C7 -177.1(3) . . . . ?
C2 C3 C4 F1 -178.9(4) . . . . ?
C2 C3 C4 C5 -0.5(7) . . . . ?
C3 C4 C5 C6 0.6(6) . . . . ?
C4 C5 C6 C1 -1.3(5) . . . . ?
C4 C5 C6 C7 177.5(4) . . . . ?
C5 C6 C7 C8 172.8(3) . . . . ?
C5 C6 C7 C27 -72.3(4) . . . . ?
C6 C1 C2 C3 -1.8(5) . . . . ?
C6 C7 C8 O1 -103.6(3) . . . . ?
C6 C7 C8 N1 13.2(3) . . . . ?
C6 C7 C8 C9 139.9(3) . . . . ?
C6 C7 C27 C20 -148.2(3) . . . . ?
C6 C7 C27 C28 -27.6(4) . . . . ?
C6 C7 C27 C34 86.7(3) . . . . ?
C7 C8 C9 C10 124.4(2) . . . . ?
C7 C8 C9 C20 5.2(3) . . . . ?
C7 C27 C28 O2 -59.3(4) . . . . ?
C7 C27 C28 N2 119.8(3) . . . . ?
C7 C27 C34 C29 -118.8(3) . . . . ?
C7 C27 C34 C33 59.8(4) . . . . ?
C8 O1 C19 C10 0.7(3) . . . . ?
C8 O1 C19 C18 180.0(3) . . . . ?
C8 N1 C1 C2 -173.9(3) . . . . ?
C8 N1 C1 C6 9.2(4) . . . . ?
C8 C7 C27 C20 -34.0(3) . . . . ?
C8 C7 C27 C28 86.6(3) . . . . ?
C8 C7 C27 C34 -159.1(2) . . . . ?
C8 C9 C10 C11 177.9(3) . . . . ?
C8 C9 C10 C19 -4.8(3) . . . . ?
C8 C9 C20 C21 -154.6(2) . . . . ?
C8 C9 C20 C27 -26.7(3) . . . . ?
C9 C10 C11 C12 -5.4(5) . . . . ?
C9 C10 C11 C16 175.0(3) . . . . ?
C9 C10 C19 O1 2.8(4) . . . . ?
C9 C10 C19 C18 -176.5(3) . . . . ?
C9 C20 C21 C22 40.0(4) . . . . ?
C9 C20 C21 C26 -140.6(3) . . . . ?
C9 C20 C27 C7 37.6(3) . . . . ?
C9 C20 C27 C28 -82.4(3) . . . . ?
C9 C20 C27 C34 162.0(2) . . . . ?
C10 C9 C20 C21 93.8(3) . . . . ?
C10 C9 C20 C27 -138.3(3) . . . . ?
C10 C11 C12 C13 179.5(3) . . . . ?
C10 C11 C16 C15 -178.3(3) . . . . ?
C10 C11 C16 C17 1.1(4) . . . . ?
C11 C10 C19 O1 -179.5(2) . . . . ?
C11 C10 C19 C18 1.2(5) . . . . ?
C11 C12 C13 C14 -0.9(6) . . . . ?
C11 C16 C17 C18 0.8(5) . . . . ?
C12 C11 C16 C15 2.1(4) . . . . ?
C12 C11 C16 C17 -178.5(3) . . . . ?
C12 C13 C14 C15 1.5(7) . . . . ?
C13 C14 C15 C16 -0.3(6) . . . . ?
C14 C15 C16 C11 -1.5(5) . . . . ?
C14 C15 C16 C17 179.1(3) . . . . ?
C15 C16 C17 C18 -179.8(3) . . . . ?
C16 C11 C12 C13 -0.9(5) . . . . ?
C16 C17 C18 C19 -1.7(5) . . . . ?
C17 C18 C19 O1 -178.5(3) . . . . ?
C17 C18 C19 C10 0.7(5) . . . . ?
C19 O1 C8 N1 124.7(3) . . . . ?
C19 O1 C8 C7 -120.9(2) . . . . ?
C19 O1 C8 C9 -3.8(3) . . . . ?
C19 C10 C11 C12 177.5(3) . . . . ?
C19 C10 C11 C16 -2.1(4) . . . . ?
C20 C9 C10 C11 -69.0(4) . . . . ?
C20 C9 C10 C19 108.3(3) . . . . ?
C20 C21 C22 C23 -179.6(3) . . . . ?
C20 C21 C26 C25 -179.9(3) . . . . ?
C20 C27 C28 O2 55.0(4) . . . . ?
C20 C27 C28 N2 -126.0(3) . . . . ?
C20 C27 C34 C29 123.5(3) . . . . ?
C20 C27 C34 C33 -58.0(4) . . . . ?
C21 C20 C27 C7 168.8(2) . . . . ?
C21 C20 C27 C28 48.8(3) . . . . ?
C21 C20 C27 C34 -66.9(3) . . . . ?
C21 C22 C23 C24 -0.5(5) . . . . ?
C22 C21 C26 C25 -0.3(4) . . . . ?
C22 C23 C24 C25 -0.5(6) . . . . ?
C23 C24 C25 C26 1.1(6) . . . . ?
C24 C25 C26 C21 -0.7(5) . . . . ?
C26 C21 C22 C23 1.0(4) . . . . ?
C27 C7 C8 O1 134.9(2) . . . . ?
C27 C7 C8 N1 -108.3(3) . . . . ?
C27 C7 C8 C9 18.4(3) . . . . ?
C27 C20 C21 C22 -84.2(3) . . . . ?
C27 C20 C21 C26 95.3(3) . . . . ?
C28 N2 C29 C30 178.7(3) . . . . ?
C28 N2 C29 C34 -1.1(3) . . . . ?
C28 C27 C34 C29 1.6(3) . . . . ?
C28 C27 C34 C33 -179.9(3) . . . . ?
C29 N2 C28 O2 -178.8(3) . . . . ?
C29 N2 C28 C27 2.1(3) . . . . ?
C29 C30 C31 C32 0.1(6) . . . . ?
C30 C29 C34 C27 179.8(3) . . . . ?
C30 C29 C34 C33 1.1(5) . . . . ?
C30 C31 C32 C33 0.4(6) . . . . ?
C31 C32 C33 C34 -0.2(5) . . . . ?
C32 C33 C34 C27 -178.9(3) . . . . ?
C32 C33 C34 C29 -0.5(4) . . . . ?
C34 C27 C28 O2 178.7(3) . . . . ?
C34 C27 C28 N2 -2.2(3) . . . . ?
C34 C29 C30 C31 -0.8(5) . . . . ?
C35 N2 C28 O2 5.0(5) . . . . ?
C35 N2 C28 C27 -174.1(3) . . . . ?
C35 N2 C29 C30 -5.1(5) . . . . ?
C35 N2 C29 C34 175.1(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
