# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_xii-fz-23
_database_code_depnum_ccdc_archive 'CCDC 2132083'
loop_
_audit_author_name
_audit_author_address
'Feroz Ahmad'
;Indian Institute of Sciences Education and Research Mohali
India
;
_audit_update_record             
;
2022-01-03 deposited with the CCDC.	2022-11-02 downloaded from the CCDC.
;
_audit_creation_date             2021-12-29
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C29 H33 N O2'
_chemical_formula_sum            'C29 H33 N O2'
_chemical_formula_weight         427.56
_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'
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'

_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_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   12.5189(4)
_cell_length_b                   10.2586(4)
_cell_length_c                   18.1361(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.843(4)
_cell_angle_gamma                90.00
_cell_volume                     2307.37(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3700
_cell_measurement_temperature    150.02(10)
_cell_measurement_theta_max      32.3500
_cell_measurement_theta_min      2.6030
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.37303
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.35c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'dull light colourless'
_exptl_crystal_colour_lustre     dull
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.231
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0522
_diffrn_reflns_av_unetI/netI     0.0718
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16666
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         32.79
_diffrn_reflns_theta_min         2.58
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.02(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.931
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -69.00 118.20   0.30   10.00    --   29.89  54.00   0.00  624
  2  ω    -69.00  36.00   0.30   10.00    --   29.89  54.00  60.00  350
;
_diffrn_measurement_device       'two-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Mini (ROW)'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0261118000
_diffrn_orient_matrix_UB_12      -0.0609778000
_diffrn_orient_matrix_UB_13      -0.0070947000
_diffrn_orient_matrix_UB_21      -0.0468672000
_diffrn_orient_matrix_UB_22      0.0324629000
_diffrn_orient_matrix_UB_23      -0.0174806000
_diffrn_orient_matrix_UB_31      0.0199640000
_diffrn_orient_matrix_UB_32      -0.0038564000
_diffrn_orient_matrix_UB_33      -0.0346247000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                5527
_reflns_number_total             7963
_reflns_odcompleteness_completeness 99.84
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     24.97
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXH-1997  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         0.652
_refine_diff_density_min         -0.383
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     300
_refine_ls_number_reflns         7963
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0955
_refine_ls_R_factor_gt           0.0708
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1150P)²+0.2381P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1848
_refine_ls_wR_factor_ref         0.2251
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C8(H8), C6(H6), C21(H21), C20(H20), C24(H24), C27(H27), C25(H25), C28(H28),
 C19(H19), C18(H18), C17(H17)
2.b Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C13(H13A,H13B,H13C), C12(H12A,H12B,H12C), C2(H2A,H2B,
 H2C), C1(H1A,H1B,H1C), C3(H3A,H3B,H3C), C29(H29A,H29B,H29C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O2 O 0.87246(9) 0.44309(11) 0.04501(6) 0.0315(3) Uani 1 1 d . . .
O1 O 0.09181(9) 0.43546(13) 0.46589(7) 0.0338(3) Uani 1 1 d . . .
N1 N 0.61053(9) 0.21680(12) 0.30205(7) 0.0229(2) Uani 1 1 d . . .
C22 C 0.58412(11) 0.30972(14) 0.24701(8) 0.0227(3) Uani 1 1 d . . .
C5 C 0.28299(11) 0.38725(13) 0.47559(8) 0.0231(3) Uani 1 1 d . . .
C16 C 0.53084(11) 0.21561(14) 0.34996(8) 0.0232(3) Uani 1 1 d . . .
C8 C 0.25723(11) 0.36472(13) 0.31975(8) 0.0229(3) Uani 1 1 d . . .
H8 H 0.2494 0.3578 0.2671 0.028 Uiso 1 1 calc R . .
C9 C 0.16648(11) 0.39541(13) 0.35369(8) 0.0217(3) Uani 1 1 d . . .
C15 C 0.45360(11) 0.30922(14) 0.32389(8) 0.0235(3) Uani 1 1 d . . .
C7 C 0.35893(11) 0.34383(14) 0.36030(8) 0.0242(3) Uani 1 1 d . . .
C6 C 0.36899(11) 0.35650(13) 0.43774(8) 0.0240(3) Uani 1 1 d . . .
H6 H 0.4380 0.3434 0.4658 0.029 Uiso 1 1 calc R . .
C21 C 0.48742(11) 0.36569(15) 0.25982(8) 0.0254(3) Uani 1 1 d . . .
H21 H 0.4498 0.4318 0.2301 0.030 Uiso 1 1 calc R . .
C10 C 0.18108(11) 0.40555(14) 0.43217(8) 0.0233(3) Uani 1 1 d . . .
C26 C 0.79995(11) 0.40361(14) 0.09072(8) 0.0245(3) Uani 1 1 d . . .
C20 C 0.70310(11) 0.14173(14) 0.31745(8) 0.0251(3) Uani 1 1 d . . .
H20 H 0.7582 0.1472 0.2864 0.030 Uiso 1 1 calc R . .
C23 C 0.65553(11) 0.34077(14) 0.19130(8) 0.0233(3) Uani 1 1 d . . .
C24 C 0.69750(11) 0.24399(14) 0.14883(8) 0.0254(3) Uani 1 1 d . . .
H24 H 0.6766 0.1558 0.1541 0.030 Uiso 1 1 calc R . .
C27 C 0.75606(12) 0.50189(14) 0.13045(8) 0.0276(3) Uani 1 1 d . . .
H27 H 0.7744 0.5904 0.1232 0.033 Uiso 1 1 calc R . .
C25 C 0.76933(12) 0.27452(14) 0.09893(8) 0.0261(3) Uani 1 1 d . . .
H25 H 0.7972 0.2076 0.0707 0.031 Uiso 1 1 calc R . .
C28 C 0.68572(12) 0.47054(14) 0.18046(8) 0.0262(3) Uani 1 1 d . . .
H28 H 0.6574 0.5381 0.2079 0.031 Uiso 1 1 calc R . .
C19 C 0.71473(12) 0.06079(15) 0.37682(8) 0.0277(3) Uani 1 1 d . . .
H19 H 0.7784 0.0099 0.3872 0.033 Uiso 1 1 calc R . .
C11 C 0.05425(11) 0.41264(14) 0.30720(8) 0.0235(3) Uani 1 1 d . . .
C18 C 0.63321(13) 0.05052(15) 0.42398(8) 0.0286(3) Uani 1 1 d . . .
H18 H 0.6414 -0.0088 0.4646 0.034 Uiso 1 1 calc R . .
C17 C 0.54309(12) 0.12649(15) 0.41047(8) 0.0270(3) Uani 1 1 d . . .
H17 H 0.4883 0.1197 0.4417 0.032 Uiso 1 1 calc R . .
C14 C -0.02386(12) 0.30818(16) 0.32820(9) 0.0322(3) Uani 1 1 d . . .
H14A H 0.0069 0.2216 0.3223 0.048 Uiso 1 1 calc R . .
H14B H -0.0928 0.3158 0.2956 0.048 Uiso 1 1 calc R . .
H14C H -0.0356 0.3204 0.3801 0.048 Uiso 1 1 calc R . .
C4 C 0.29969(12) 0.40008(14) 0.56102(8) 0.0257(3) Uani 1 1 d . . .
C13 C 0.00850(13) 0.54919(15) 0.31918(9) 0.0306(3) Uani 1 1 d . . .
H13A H 0.0012 0.5607 0.3719 0.046 Uiso 1 1 calc R . .
H13B H -0.0624 0.5582 0.2892 0.046 Uiso 1 1 calc R . .
H13C H 0.0575 0.6155 0.3041 0.046 Uiso 1 1 calc R . .
C12 C 0.05962(12) 0.40019(17) 0.22356(8) 0.0294(3) Uani 1 1 d . . .
H12A H 0.1067 0.4684 0.2081 0.044 Uiso 1 1 calc R . .
H12B H -0.0129 0.4099 0.1960 0.044 Uiso 1 1 calc R . .
H12C H 0.0885 0.3144 0.2131 0.044 Uiso 1 1 calc R . .
C2 C 0.23127(14) 0.29868(16) 0.59660(9) 0.0338(3) Uani 1 1 d . . .
H2A H 0.1547 0.3134 0.5790 0.051 Uiso 1 1 calc R . .
H2B H 0.2442 0.3075 0.6509 0.051 Uiso 1 1 calc R . .
H2C H 0.2515 0.2108 0.5825 0.051 Uiso 1 1 calc R . .
C1 C 0.27244(14) 0.53905(16) 0.58484(9) 0.0331(3) Uani 1 1 d . . .
H1A H 0.3160 0.6023 0.5615 0.050 Uiso 1 1 calc R . .
H1B H 0.2882 0.5467 0.6391 0.050 Uiso 1 1 calc R . .
H1C H 0.1958 0.5566 0.5691 0.050 Uiso 1 1 calc R . .
C3 C 0.41769(13) 0.37392(18) 0.59439(9) 0.0334(3) Uani 1 1 d . . .
H3A H 0.4377 0.2850 0.5821 0.050 Uiso 1 1 calc R . .
H3B H 0.4254 0.3840 0.6486 0.050 Uiso 1 1 calc R . .
H3C H 0.4650 0.4362 0.5737 0.050 Uiso 1 1 calc R . .
C29 C 0.92665(14) 0.34320(18) 0.00969(10) 0.0378(4) Uani 1 1 d . . .
H29A H 0.8740 0.2940 -0.0245 0.057 Uiso 1 1 calc R . .
H29B H 0.9631 0.2842 0.0475 0.057 Uiso 1 1 calc R . .
H29C H 0.9800 0.3828 -0.0183 0.057 Uiso 1 1 calc R . .
H1 H 0.101(4) 0.438(5) 0.509(2) 0.156(19) Uiso 1 1 d . . .


_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
O2 C26 1.3714(17) . ?
O2 C29 1.4280(19) . ?
O1 C10 1.3798(17) . ?
O1 H1 0.78(4) . ?
N1 C22 1.3872(18) . ?
N1 C16 1.4096(17) . ?
N1 C20 1.3877(18) . ?
C22 C21 1.3877(19) . ?
C22 C23 1.4725(19) . ?
C5 C6 1.3899(19) . ?
C5 C10 1.4173(19) . ?
C5 C4 1.540(2) . ?
C16 C15 1.3986(19) . ?
C16 C17 1.420(2) . ?
C8 H8 0.9500 . ?
C8 C9 1.3998(19) . ?
C8 C7 1.3972(19) . ?
C9 C10 1.414(2) . ?
C9 C11 1.5468(18) . ?
C15 C7 1.4766(19) . ?
C15 C21 1.414(2) . ?
C7 C6 1.399(2) . ?
C6 H6 0.9500 . ?
C21 H21 0.9500 . ?
C26 C27 1.395(2) . ?
C26 C25 1.392(2) . ?
C20 H20 0.9500 . ?
C20 C19 1.352(2) . ?
C23 C24 1.402(2) . ?
C23 C28 1.405(2) . ?
C24 H24 0.9500 . ?
C24 C25 1.396(2) . ?
C27 H27 0.9500 . ?
C27 C28 1.386(2) . ?
C25 H25 0.9500 . ?
C28 H28 0.9500 . ?
C19 H19 0.9500 . ?
C19 C18 1.422(2) . ?
C11 C14 1.533(2) . ?
C11 C13 1.540(2) . ?
C11 C12 1.533(2) . ?
C18 H18 0.9500 . ?
C18 C17 1.366(2) . ?
C17 H17 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C4 C2 1.544(2) . ?
C4 C1 1.541(2) . ?
C4 C3 1.542(2) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?

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
C26 O2 C29 116.96(12) . . ?
C10 O1 H1 116(3) . . ?
C22 N1 C16 109.29(11) . . ?
C22 N1 C20 129.54(12) . . ?
C20 N1 C16 120.86(12) . . ?
N1 C22 C21 106.95(12) . . ?
N1 C22 C23 122.34(12) . . ?
C21 C22 C23 130.58(13) . . ?
C6 C5 C10 117.05(12) . . ?
C6 C5 C4 120.54(12) . . ?
C10 C5 C4 122.41(12) . . ?
N1 C16 C17 118.09(12) . . ?
C15 C16 N1 107.49(12) . . ?
C15 C16 C17 134.42(13) . . ?
C9 C8 H8 118.7 . . ?
C7 C8 H8 118.7 . . ?
C7 C8 C9 122.62(13) . . ?
C8 C9 C10 117.25(12) . . ?
C8 C9 C11 121.15(12) . . ?
C10 C9 C11 121.56(12) . . ?
C16 C15 C7 125.03(13) . . ?
C16 C15 C21 106.76(12) . . ?
C21 C15 C7 128.14(13) . . ?
C8 C7 C15 122.06(13) . . ?
C8 C7 C6 117.71(12) . . ?
C6 C7 C15 120.23(12) . . ?
C5 C6 C7 123.18(13) . . ?
C5 C6 H6 118.4 . . ?
C7 C6 H6 118.4 . . ?
C22 C21 C15 109.51(13) . . ?
C22 C21 H21 125.2 . . ?
C15 C21 H21 125.2 . . ?
O1 C10 C5 120.35(12) . . ?
O1 C10 C9 117.47(12) . . ?
C9 C10 C5 122.18(13) . . ?
O2 C26 C27 116.02(13) . . ?
O2 C26 C25 124.07(13) . . ?
C25 C26 C27 119.92(13) . . ?
N1 C20 H20 120.1 . . ?
C19 C20 N1 119.83(13) . . ?
C19 C20 H20 120.1 . . ?
C24 C23 C22 122.14(13) . . ?
C24 C23 C28 117.78(13) . . ?
C28 C23 C22 120.07(13) . . ?
C23 C24 H24 119.3 . . ?
C25 C24 C23 121.35(13) . . ?
C25 C24 H24 119.3 . . ?
C26 C27 H27 120.0 . . ?
C28 C27 C26 120.04(13) . . ?
C28 C27 H27 120.0 . . ?
C26 C25 C24 119.60(13) . . ?
C26 C25 H25 120.2 . . ?
C24 C25 H25 120.2 . . ?
C23 C28 H28 119.4 . . ?
C27 C28 C23 121.24(13) . . ?
C27 C28 H28 119.4 . . ?
C20 C19 H19 119.5 . . ?
C20 C19 C18 121.10(13) . . ?
C18 C19 H19 119.5 . . ?
C14 C11 C9 110.32(12) . . ?
C14 C11 C13 109.79(12) . . ?
C13 C11 C9 110.77(11) . . ?
C12 C11 C9 111.76(11) . . ?
C12 C11 C14 107.64(12) . . ?
C12 C11 C13 106.43(12) . . ?
C19 C18 H18 120.2 . . ?
C17 C18 C19 119.53(14) . . ?
C17 C18 H18 120.2 . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.36(14) . . ?
C18 C17 H17 119.8 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C5 C4 C2 110.85(12) . . ?
C5 C4 C1 110.86(12) . . ?
C5 C4 C3 111.80(12) . . ?
C1 C4 C2 110.45(13) . . ?
C1 C4 C3 106.73(13) . . ?
C3 C4 C2 105.97(12) . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C4 C2 H2A 109.5 . . ?
C4 C2 H2B 109.5 . . ?
C4 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C1 H1A 109.5 . . ?
C4 C1 H1B 109.5 . . ?
C4 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C4 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
C4 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O2 C29 H29A 109.5 . . ?
O2 C29 H29B 109.5 . . ?
O2 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 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
O2 C26 C27 C28 -177.17(13) . . . . ?
O2 C26 C25 C24 177.87(13) . . . . ?
N1 C22 C21 C15 0.90(16) . . . . ?
N1 C22 C23 C24 51.4(2) . . . . ?
N1 C22 C23 C28 -127.14(15) . . . . ?
N1 C16 C15 C7 -176.89(12) . . . . ?
N1 C16 C15 C21 0.36(15) . . . . ?
N1 C16 C17 C18 4.0(2) . . . . ?
N1 C20 C19 C18 0.3(2) . . . . ?
C22 N1 C16 C15 0.19(15) . . . . ?
C22 N1 C16 C17 180.00(12) . . . . ?
C22 N1 C20 C19 176.59(14) . . . . ?
C22 C23 C24 C25 -176.78(13) . . . . ?
C22 C23 C28 C27 177.52(13) . . . . ?
C16 N1 C22 C21 -0.67(15) . . . . ?
C16 N1 C22 C23 175.71(12) . . . . ?
C16 N1 C20 C19 3.7(2) . . . . ?
C16 C15 C7 C8 -138.15(15) . . . . ?
C16 C15 C7 C6 41.7(2) . . . . ?
C16 C15 C21 C22 -0.79(16) . . . . ?
C8 C9 C10 O1 -179.85(12) . . . . ?
C8 C9 C10 C5 0.7(2) . . . . ?
C8 C9 C11 C14 116.31(14) . . . . ?
C8 C9 C11 C13 -121.91(14) . . . . ?
C8 C9 C11 C12 -3.41(18) . . . . ?
C8 C7 C6 C5 0.7(2) . . . . ?
C9 C8 C7 C15 178.89(13) . . . . ?
C9 C8 C7 C6 -1.0(2) . . . . ?
C15 C16 C17 C18 -176.22(16) . . . . ?
C15 C7 C6 C5 -179.19(13) . . . . ?
C7 C8 C9 C10 0.3(2) . . . . ?
C7 C8 C9 C11 -177.61(13) . . . . ?
C7 C15 C21 C22 176.35(14) . . . . ?
C6 C5 C10 O1 179.59(13) . . . . ?
C6 C5 C10 C9 -1.0(2) . . . . ?
C6 C5 C4 C2 -118.50(15) . . . . ?
C6 C5 C4 C1 118.45(15) . . . . ?
C6 C5 C4 C3 -0.50(19) . . . . ?
C21 C22 C23 C24 -133.15(17) . . . . ?
C21 C22 C23 C28 48.3(2) . . . . ?
C21 C15 C7 C8 45.2(2) . . . . ?
C21 C15 C7 C6 -134.93(16) . . . . ?
C10 C5 C6 C7 0.3(2) . . . . ?
C10 C5 C4 C2 61.38(18) . . . . ?
C10 C5 C4 C1 -61.66(18) . . . . ?
C10 C5 C4 C3 179.38(13) . . . . ?
C10 C9 C11 C14 -61.51(17) . . . . ?
C10 C9 C11 C13 60.27(17) . . . . ?
C10 C9 C11 C12 178.76(13) . . . . ?
C26 C27 C28 C23 -1.2(2) . . . . ?
C20 N1 C22 C21 -174.22(14) . . . . ?
C20 N1 C22 C23 2.2(2) . . . . ?
C20 N1 C16 C15 174.40(12) . . . . ?
C20 N1 C16 C17 -5.79(19) . . . . ?
C20 C19 C18 C17 -2.0(2) . . . . ?
C23 C22 C21 C15 -175.07(14) . . . . ?
C23 C24 C25 C26 -0.2(2) . . . . ?
C24 C23 C28 C27 -1.1(2) . . . . ?
C27 C26 C25 C24 -2.1(2) . . . . ?
C25 C26 C27 C28 2.8(2) . . . . ?
C28 C23 C24 C25 1.8(2) . . . . ?
C19 C18 C17 C16 -0.3(2) . . . . ?
C11 C9 C10 O1 -1.9(2) . . . . ?
C11 C9 C10 C5 178.63(12) . . . . ?
C17 C16 C15 C7 3.3(3) . . . . ?
C17 C16 C15 C21 -179.40(16) . . . . ?
C4 C5 C6 C7 -179.84(13) . . . . ?
C4 C5 C10 O1 -0.3(2) . . . . ?
C4 C5 C10 C9 179.12(13) . . . . ?
C29 O2 C26 C27 173.77(14) . . . . ?
C29 O2 C26 C25 -6.2(2) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.149
_oxdiff_exptl_absorpt_empirical_full_min 0.625
