# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_glo10386
_database_code_depnum_ccdc_archive 'CCDC 2207448'
loop_
_audit_author_name
_audit_author_address
'Constantin G. Daniliuc'
;Organisch Chemisches Institut WWU University of Muenster
Germany
;
_audit_update_record             
;
2022-09-15 deposited with the CCDC.	2023-02-03 downloaded from the CCDC.
;

_audit_creation_method           'APEX4 v2021.4-0'
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C35 H34 N2 O'
_chemical_formula_iupac          ?
_chemical_formula_weight         498.64

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.3198(3)
_cell_length_b                   11.1833(4)
_cell_length_c                   26.6506(7)
_cell_angle_alpha                90
_cell_angle_beta                 99.8120(10)
_cell_angle_gamma                90
_cell_volume                     2737.06(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7272
_cell_measurement_theta_min      2.3922
_cell_measurement_theta_max      26.7043
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.202
_exptl_crystal_size_mid          0.065
_exptl_crystal_size_min          0.052
_exptl_crystal_density_diffrn    1.210
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1064

_exptl_absorpt_coefficient_mu    0.072
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
;
Krause, L., Herbst-Irmer, R., Sheldrick, G. M., Stalke, D. (2015).
"Comparison of silver and molybdenum microfocus X-ray sources for
single-crystal structure determination"
J. Appl. Cryst. 48, 3-10. doi:10.1107/S1600576714022985
;
_exptl_absorpt_correction_T_min  0.92
_exptl_absorpt_correction_T_max  1.00

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   'Mo ImS'
_diffrn_source_type              'micro focus tube'
_diffrn_source_power             0.05
_diffrn_source_current           1.0
_diffrn_source_voltage           50

_diffrn_radiation_probe          'single crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'MX mirror'

_diffrn_measurement_device       'Bruker D8 Venture Photon III'
_diffrn_measurement_device_type  'single crystal diffractometer'
_diffrn_measurement_method       'phi/omega scans'

_diffrn_detector_area_resol_mean 7.3910

_diffrn_reflns_number            59448
_diffrn_reflns_av_R_equivalents  0.0905
_diffrn_reflns_av_unetI/netI     0.0393
_diffrn_reflns_theta_min         2.22
_diffrn_reflns_theta_max         26.74
_diffrn_reflns_theta_full        25.24
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33

_refine_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_number_total             5803
_reflns_number_gt                4626
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0570
_refine_ls_R_factor_gt           0.0423
_refine_ls_wR_factor_gt          0.0926
_refine_ls_wR_factor_ref         0.1006
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.059
_refine_ls_number_reflns         5803
_refine_ls_number_parameters     343
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0322P)²+1.2770P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.308
_refine_diff_density_min         -0.221
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'

_computing_data_collection       'Bruker APEX4 v2021.4-0 Photon III'
_computing_cell_refinement       'SAINT V8.40B (Bruker AXS LLC, 2019)'
_computing_data_reduction        'SAINT V8.40B (Bruker AXS LLC, 2019)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 1242)'
_computing_publication_material  'SHELXT 2018/2 (Sheldrick, 2018)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
N N1 0.45243(12) 0.37781(10) 0.63724(4) 0.0145(2) Uani d . . . 1 . .
N N2 0.23146(14) 0.54920(12) 0.71193(5) 0.0260(3) Uani d . . . 1 . .
O O1 0.74740(11) 0.23246(11) 0.92017(4) 0.0286(3) Uani d . . . 1 . .
C C1 0.60918(16) 0.17470(15) 0.91555(6) 0.0254(3) Uani d . . . 1 . .
H H1A 0.587093 0.158341 0.949938 0.031000 Uiso calc U . R 1 . .
H H1B 0.613180 0.097172 0.897907 0.031000 Uiso calc U . R 1 . .
C C2 0.48837(16) 0.25121(14) 0.88599(5) 0.0215(3) Uani d . . . 1 . .
H H2A 0.477975 0.325691 0.905120 0.026000 Uiso calc U . R 1 . .
H H2B 0.394939 0.207222 0.882066 0.026000 Uiso calc U . R 1 . .
C C3 0.52300(14) 0.28229(12) 0.83338(5) 0.0165(3) Uani d . . . 1 . .
H H3 0.525257 0.205768 0.814118 0.020000 Uiso calc U . R 1 . .
C C4 0.67526(15) 0.33758(13) 0.83970(5) 0.0200(3) Uani d . . . 1 . .
H H4A 0.702825 0.350634 0.805853 0.024000 Uiso calc U . R 1 . .
H H4B 0.675702 0.415929 0.857021 0.024000 Uiso calc U . R 1 . .
C C5 0.78386(16) 0.25411(15) 0.87098(6) 0.0253(3) Uani d . . . 1 . .
H H5A 0.785799 0.177192 0.852719 0.030000 Uiso calc U . R 1 . .
H H5B 0.882378 0.289760 0.874973 0.030000 Uiso calc U . R 1 . .
C C6 0.40357(15) 0.36073(13) 0.80363(5) 0.0169(3) Uani d . . . 1 . .
H H6A 0.401636 0.438031 0.821602 0.020000 Uiso calc U . R 1 . .
H H6B 0.308301 0.321290 0.803278 0.020000 Uiso calc U . R 1 . .
C C7 0.42299(14) 0.38545(12) 0.74810(5) 0.0154(3) Uani d . . . 1 . .
H H7 0.523140 0.418118 0.748674 0.019000 Uiso calc U . R 1 . .
C C8 0.40685(14) 0.27081(12) 0.71516(5) 0.0144(3) Uani d . . . 1 . .
H H8A 0.302418 0.258789 0.701231 0.017000 Uiso calc U . R 1 . .
H H8B 0.439763 0.201576 0.737303 0.017000 Uiso calc U . R 1 . .
C C9 0.49316(14) 0.27252(12) 0.67045(5) 0.0140(3) Uani d . . . 1 . .
C C10 0.31690(15) 0.47777(13) 0.72653(5) 0.0187(3) Uani d . . . 1 . .
C C11 0.33775(14) 0.38357(12) 0.60317(5) 0.0146(3) Uani d . . . 1 . .
C C21 0.32297(15) 0.48971(12) 0.56873(5) 0.0150(3) Uani d . . . 1 . .
C C22 0.44683(15) 0.55195(12) 0.56030(5) 0.0171(3) Uani d . . . 1 . .
H H22 0.540140 0.528338 0.577641 0.020000 Uiso calc U . R 1 . .
C C23 0.43460(15) 0.64774(13) 0.52690(5) 0.0193(3) Uani d . . . 1 . .
H H23 0.519469 0.688950 0.521163 0.023000 Uiso calc U . R 1 . .
C C24 0.29868(15) 0.68363(12) 0.50180(5) 0.0184(3) Uani d . . . 1 . .
H H24 0.290412 0.749819 0.479152 0.022000 Uiso calc U . R 1 . .
C C25 0.17496(16) 0.62286(13) 0.50980(5) 0.0208(3) Uani d . . . 1 . .
H H25 0.081862 0.647541 0.492663 0.025000 Uiso calc U . R 1 . .
C C26 0.18686(15) 0.52594(13) 0.54282(5) 0.0186(3) Uani d . . . 1 . .
H H26 0.101817 0.483955 0.547824 0.022000 Uiso calc U . R 1 . .
C C31 0.21589(14) 0.29352(12) 0.59222(5) 0.0154(3) Uani d . . . 1 . .
C C32 0.20586(15) 0.21904(13) 0.54981(5) 0.0186(3) Uani d . . . 1 . .
H H32 0.275162 0.225817 0.527625 0.022000 Uiso calc U . R 1 . .
C C33 0.09493(16) 0.13497(13) 0.53986(5) 0.0217(3) Uani d . . . 1 . .
H H33 0.090297 0.083087 0.511399 0.026000 Uiso calc U . R 1 . .
C C34 -0.00938(16) 0.12627(13) 0.57130(6) 0.0225(3) Uani d . . . 1 . .
H H34 -0.083713 0.067391 0.564851 0.027000 Uiso calc U . R 1 . .
C C35 -0.00430(15) 0.20396(13) 0.61209(5) 0.0211(3) Uani d . . . 1 . .
H H35 -0.077201 0.200137 0.632982 0.025000 Uiso calc U . R 1 . .
C C36 0.10727(15) 0.28744(13) 0.62246(5) 0.0177(3) Uani d . . . 1 . .
H H36 0.109805 0.340837 0.650320 0.021000 Uiso calc U . R 1 . .
C C41 0.65625(14) 0.28557(12) 0.69376(5) 0.0145(3) Uani d . . . 1 . .
C C42 0.72771(15) 0.18985(12) 0.72119(5) 0.0175(3) Uani d . . . 1 . .
H H42 0.676874 0.116961 0.723472 0.021000 Uiso calc U . R 1 . .
C C43 0.87169(15) 0.19963(13) 0.74515(5) 0.0210(3) Uani d . . . 1 . .
H H43 0.918116 0.134109 0.764003 0.025000 Uiso calc U . R 1 . .
C C44 0.94796(15) 0.30531(14) 0.74154(6) 0.0224(3) Uani d . . . 1 . .
H H44 1.046348 0.312404 0.758013 0.027000 Uiso calc U . R 1 . .
C C45 0.87938(15) 0.40031(13) 0.71373(5) 0.0212(3) Uani d . . . 1 . .
H H45 0.931411 0.472272 0.710726 0.025000 Uiso calc U . R 1 . .
C C46 0.73415(15) 0.39049(12) 0.69016(5) 0.0174(3) Uani d . . . 1 . .
H H46 0.687919 0.456251 0.671420 0.021000 Uiso calc U . R 1 . .
C C51 0.47601(14) 0.15628(12) 0.63946(5) 0.0149(3) Uani d . . . 1 . .
C C52 0.55502(15) 0.14732(13) 0.59956(5) 0.0180(3) Uani d . . . 1 . .
H H52 0.619458 0.209997 0.594145 0.022000 Uiso calc U . R 1 . .
C C53 0.54098(16) 0.04867(13) 0.56781(5) 0.0219(3) Uani d . . . 1 . .
H H53 0.594925 0.044061 0.540670 0.026000 Uiso calc U . R 1 . .
C C54 0.44761(17) -0.04373(13) 0.57576(6) 0.0235(3) Uani d . . . 1 . .
H H54 0.435673 -0.110836 0.553581 0.028000 Uiso calc U . R 1 . .
C C55 0.37220(16) -0.03753(13) 0.61609(5) 0.0221(3) Uani d . . . 1 . .
H H55 0.310193 -0.101551 0.622006 0.027000 Uiso calc U . R 1 . .
C C56 0.38633(15) 0.06204(12) 0.64823(5) 0.0179(3) Uani d . . . 1 . .
H H56 0.334722 0.065291 0.676017 0.021000 Uiso calc U . R 1 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
N1 C11 . 1.2806(17) ?
N1 C9 . 1.4831(17) ?
N2 C10 . 1.1480(19) ?
O1 C1 . 1.4274(18) ?
O1 C5 . 1.4297(18) ?
C1 C2 . 1.523(2) ?
C1 H1A . 0.990000 ?
C1 H1B . 0.990000 ?
C2 C3 . 1.5312(19) ?
C2 H2A . 0.990000 ?
C2 H2B . 0.990000 ?
C3 C6 . 1.5285(19) ?
C3 C4 . 1.5307(19) ?
C3 H3 . 1.000000 ?
C4 C5 . 1.518(2) ?
C4 H4A . 0.990000 ?
C4 H4B . 0.990000 ?
C5 H5A . 0.990000 ?
C5 H5B . 0.990000 ?
C6 C7 . 1.5461(18) ?
C6 H6A . 0.990000 ?
C6 H6B . 0.990000 ?
C7 C10 . 1.4766(19) ?
C7 C8 . 1.5465(18) ?
C7 H7 . 1.000000 ?
C8 C9 . 1.5472(17) ?
C8 H8A . 0.990000 ?
C8 H8B . 0.990000 ?
C9 C51 . 1.5338(18) ?
C9 C41 . 1.5478(18) ?
C11 C21 . 1.4925(18) ?
C11 C31 . 1.5088(18) ?
C21 C26 . 1.3970(19) ?
C21 C22 . 1.3984(19) ?
C22 C23 . 1.3851(19) ?
C22 H22 . 0.950000 ?
C23 C24 . 1.387(2) ?
C23 H23 . 0.950000 ?
C24 C25 . 1.386(2) ?
C24 H24 . 0.950000 ?
C25 C26 . 1.389(2) ?
C25 H25 . 0.950000 ?
C26 H26 . 0.950000 ?
C31 C32 . 1.3943(19) ?
C31 C36 . 1.3989(19) ?
C32 C33 . 1.389(2) ?
C32 H32 . 0.950000 ?
C33 C34 . 1.391(2) ?
C33 H33 . 0.950000 ?
C34 C35 . 1.386(2) ?
C34 H34 . 0.950000 ?
C35 C36 . 1.390(2) ?
C35 H35 . 0.950000 ?
C36 H36 . 0.950000 ?
C41 C46 . 1.3917(19) ?
C41 C42 . 1.3994(19) ?
C42 C43 . 1.389(2) ?
C42 H42 . 0.950000 ?
C43 C44 . 1.391(2) ?
C43 H43 . 0.950000 ?
C44 C45 . 1.387(2) ?
C44 H44 . 0.950000 ?
C45 C46 . 1.396(2) ?
C45 H45 . 0.950000 ?
C46 H46 . 0.950000 ?
C51 C56 . 1.3893(19) ?
C51 C52 . 1.3964(18) ?
C52 C53 . 1.383(2) ?
C52 H52 . 0.950000 ?
C53 C54 . 1.390(2) ?
C53 H53 . 0.950000 ?
C54 C55 . 1.383(2) ?
C54 H54 . 0.950000 ?
C55 C56 . 1.397(2) ?
C55 H55 . 0.950000 ?
C56 H56 . 0.950000 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C11 N1 C9 . . 124.11(11) ?
C1 O1 C5 . . 110.46(11) ?
O1 C1 C2 . . 111.54(13) ?
O1 C1 H1A . . 109.300000 ?
C2 C1 H1A . . 109.300000 ?
O1 C1 H1B . . 109.300000 ?
C2 C1 H1B . . 109.300000 ?
H1A C1 H1B . . 108.000000 ?
C1 C2 C3 . . 110.41(12) ?
C1 C2 H2A . . 109.600000 ?
C3 C2 H2A . . 109.600000 ?
C1 C2 H2B . . 109.600000 ?
C3 C2 H2B . . 109.600000 ?
H2A C2 H2B . . 108.100000 ?
C6 C3 C4 . . 113.87(12) ?
C6 C3 C2 . . 110.90(11) ?
C4 C3 C2 . . 109.09(11) ?
C6 C3 H3 . . 107.600000 ?
C4 C3 H3 . . 107.600000 ?
C2 C3 H3 . . 107.600000 ?
C5 C4 C3 . . 109.32(12) ?
C5 C4 H4A . . 109.800000 ?
C3 C4 H4A . . 109.800000 ?
C5 C4 H4B . . 109.800000 ?
C3 C4 H4B . . 109.800000 ?
H4A C4 H4B . . 108.300000 ?
O1 C5 C4 . . 111.55(12) ?
O1 C5 H5A . . 109.300000 ?
C4 C5 H5A . . 109.300000 ?
O1 C5 H5B . . 109.300000 ?
C4 C5 H5B . . 109.300000 ?
H5A C5 H5B . . 108.000000 ?
C3 C6 C7 . . 113.92(11) ?
C3 C6 H6A . . 108.800000 ?
C7 C6 H6A . . 108.800000 ?
C3 C6 H6B . . 108.800000 ?
C7 C6 H6B . . 108.800000 ?
H6A C6 H6B . . 107.700000 ?
C10 C7 C6 . . 108.53(11) ?
C10 C7 C8 . . 111.39(11) ?
C6 C7 C8 . . 112.28(11) ?
C10 C7 H7 . . 108.200000 ?
C6 C7 H7 . . 108.200000 ?
C8 C7 H7 . . 108.200000 ?
C7 C8 C9 . . 114.45(11) ?
C7 C8 H8A . . 108.600000 ?
C9 C8 H8A . . 108.600000 ?
C7 C8 H8B . . 108.600000 ?
C9 C8 H8B . . 108.600000 ?
H8A C8 H8B . . 107.600000 ?
N1 C9 C51 . . 111.04(10) ?
N1 C9 C8 . . 110.84(10) ?
C51 C9 C8 . . 112.58(11) ?
N1 C9 C41 . . 107.37(10) ?
C51 C9 C41 . . 107.52(10) ?
C8 C9 C41 . . 107.22(10) ?
N2 C10 C7 . . 176.59(15) ?
N1 C11 C21 . . 117.03(12) ?
N1 C11 C31 . . 127.83(12) ?
C21 C11 C31 . . 115.11(11) ?
C26 C21 C22 . . 118.76(12) ?
C26 C21 C11 . . 121.03(12) ?
C22 C21 C11 . . 120.16(12) ?
C23 C22 C21 . . 120.55(13) ?
C23 C22 H22 . . 119.700000 ?
C21 C22 H22 . . 119.700000 ?
C22 C23 C24 . . 120.13(13) ?
C22 C23 H23 . . 119.900000 ?
C24 C23 H23 . . 119.900000 ?
C25 C24 C23 . . 119.96(13) ?
C25 C24 H24 . . 120.000000 ?
C23 C24 H24 . . 120.000000 ?
C24 C25 C26 . . 120.10(13) ?
C24 C25 H25 . . 120.000000 ?
C26 C25 H25 . . 120.000000 ?
C25 C26 C21 . . 120.49(13) ?
C25 C26 H26 . . 119.800000 ?
C21 C26 H26 . . 119.800000 ?
C32 C31 C36 . . 118.88(13) ?
C32 C31 C11 . . 119.99(12) ?
C36 C31 C11 . . 121.04(12) ?
C33 C32 C31 . . 120.26(13) ?
C33 C32 H32 . . 119.900000 ?
C31 C32 H32 . . 119.900000 ?
C32 C33 C34 . . 120.41(13) ?
C32 C33 H33 . . 119.800000 ?
C34 C33 H33 . . 119.800000 ?
C35 C34 C33 . . 119.65(13) ?
C35 C34 H34 . . 120.200000 ?
C33 C34 H34 . . 120.200000 ?
C34 C35 C36 . . 120.10(13) ?
C34 C35 H35 . . 120.000000 ?
C36 C35 H35 . . 120.000000 ?
C35 C36 C31 . . 120.56(13) ?
C35 C36 H36 . . 119.700000 ?
C31 C36 H36 . . 119.700000 ?
C46 C41 C42 . . 118.26(12) ?
C46 C41 C9 . . 122.69(12) ?
C42 C41 C9 . . 119.01(12) ?
C43 C42 C41 . . 121.11(13) ?
C43 C42 H42 . . 119.400000 ?
C41 C42 H42 . . 119.400000 ?
C42 C43 C44 . . 120.02(13) ?
C42 C43 H43 . . 120.000000 ?
C44 C43 H43 . . 120.000000 ?
C45 C44 C43 . . 119.55(13) ?
C45 C44 H44 . . 120.200000 ?
C43 C44 H44 . . 120.200000 ?
C44 C45 C46 . . 120.22(13) ?
C44 C45 H45 . . 119.900000 ?
C46 C45 H45 . . 119.900000 ?
C41 C46 C45 . . 120.83(13) ?
C41 C46 H46 . . 119.600000 ?
C45 C46 H46 . . 119.600000 ?
C56 C51 C52 . . 118.95(12) ?
C56 C51 C9 . . 124.26(12) ?
C52 C51 C9 . . 116.79(12) ?
C53 C52 C51 . . 121.07(13) ?
C53 C52 H52 . . 119.500000 ?
C51 C52 H52 . . 119.500000 ?
C52 C53 C54 . . 119.74(13) ?
C52 C53 H53 . . 120.100000 ?
C54 C53 H53 . . 120.100000 ?
C55 C54 C53 . . 119.70(13) ?
C55 C54 H54 . . 120.100000 ?
C53 C54 H54 . . 120.100000 ?
C54 C55 C56 . . 120.61(13) ?
C54 C55 H55 . . 119.700000 ?
C56 C55 H55 . . 119.700000 ?
C51 C56 C55 . . 119.87(13) ?
C51 C56 H56 . . 120.100000 ?
C55 C56 H56 . . 120.100000 ?

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C5 O1 C1 C2 . . . . -60.62(16) ?
O1 C1 C2 C3 . . . . 56.61(16) ?
C1 C2 C3 C6 . . . . -179.13(12) ?
C1 C2 C3 C4 . . . . -52.93(16) ?
C6 C3 C4 C5 . . . . 178.34(11) ?
C2 C3 C4 C5 . . . . 53.86(15) ?
C1 O1 C5 C4 . . . . 62.31(16) ?
C3 C4 C5 O1 . . . . -59.17(16) ?
C4 C3 C6 C7 . . . . 62.30(15) ?
C2 C3 C6 C7 . . . . -174.21(11) ?
C3 C6 C7 C10 . . . . -170.37(12) ?
C3 C6 C7 C8 . . . . 66.06(15) ?
C10 C7 C8 C9 . . . . 86.08(14) ?
C6 C7 C8 C9 . . . . -151.96(11) ?
C11 N1 C9 C51 . . . . 45.86(16) ?
C11 N1 C9 C8 . . . . -80.06(15) ?
C11 N1 C9 C41 . . . . 163.14(12) ?
C7 C8 C9 N1 . . . . -55.95(14) ?
C7 C8 C9 C51 . . . . 179.00(11) ?
C7 C8 C9 C41 . . . . 60.95(14) ?
C9 N1 C11 C21 . . . . -172.43(11) ?
C9 N1 C11 C31 . . . . 5.5(2) ?
N1 C11 C21 C26 . . . . -158.18(13) ?
C31 C11 C21 C26 . . . . 23.60(18) ?
N1 C11 C21 C22 . . . . 24.38(18) ?
C31 C11 C21 C22 . . . . -153.84(12) ?
C26 C21 C22 C23 . . . . 0.0(2) ?
C11 C21 C22 C23 . . . . 177.52(12) ?
C21 C22 C23 C24 . . . . 0.6(2) ?
C22 C23 C24 C25 . . . . -0.6(2) ?
C23 C24 C25 C26 . . . . -0.1(2) ?
C24 C25 C26 C21 . . . . 0.8(2) ?
C22 C21 C26 C25 . . . . -0.8(2) ?
C11 C21 C26 C25 . . . . -178.23(13) ?
N1 C11 C31 C32 . . . . -104.44(16) ?
C21 C11 C31 C32 . . . . 73.56(16) ?
N1 C11 C31 C36 . . . . 79.03(18) ?
C21 C11 C31 C36 . . . . -102.97(14) ?
C36 C31 C32 C33 . . . . -4.2(2) ?
C11 C31 C32 C33 . . . . 179.22(13) ?
C31 C32 C33 C34 . . . . 1.7(2) ?
C32 C33 C34 C35 . . . . 1.5(2) ?
C33 C34 C35 C36 . . . . -2.1(2) ?
C34 C35 C36 C31 . . . . -0.4(2) ?
C32 C31 C36 C35 . . . . 3.6(2) ?
C11 C31 C36 C35 . . . . -179.86(13) ?
N1 C9 C41 C46 . . . . 11.08(16) ?
C51 C9 C41 C46 . . . . 130.63(13) ?
C8 C9 C41 C46 . . . . -108.08(14) ?
N1 C9 C41 C42 . . . . -171.29(11) ?
C51 C9 C41 C42 . . . . -51.74(15) ?
C8 C9 C41 C42 . . . . 69.55(14) ?
C46 C41 C42 C43 . . . . 1.29(19) ?
C9 C41 C42 C43 . . . . -176.45(12) ?
C41 C42 C43 C44 . . . . -0.9(2) ?
C42 C43 C44 C45 . . . . -0.3(2) ?
C43 C44 C45 C46 . . . . 0.9(2) ?
C42 C41 C46 C45 . . . . -0.62(19) ?
C9 C41 C46 C45 . . . . 177.03(12) ?
C44 C45 C46 C41 . . . . -0.5(2) ?
N1 C9 C51 C56 . . . . -121.27(14) ?
C8 C9 C51 C56 . . . . 3.67(18) ?
C41 C9 C51 C56 . . . . 121.54(14) ?
N1 C9 C51 C52 . . . . 57.73(15) ?
C8 C9 C51 C52 . . . . -177.33(12) ?
C41 C9 C51 C52 . . . . -59.45(15) ?
C56 C51 C52 C53 . . . . 2.4(2) ?
C9 C51 C52 C53 . . . . -176.62(13) ?
C51 C52 C53 C54 . . . . -0.4(2) ?
C52 C53 C54 C55 . . . . -1.5(2) ?
C53 C54 C55 C56 . . . . 1.5(2) ?
C52 C51 C56 C55 . . . . -2.4(2) ?
C9 C51 C56 C55 . . . . 176.54(13) ?
C54 C55 C56 C51 . . . . 0.5(2) ?



#=============================================================================
#  end of cif data for "glo10386"  (compound 16)
#=============================================================================
#=============================================================================
#  end of cif file
#=============================================================================

