# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2020

####################################################################### 
# 
# 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_8CST
_database_code_depnum_ccdc_archive 'CCDC 1975276'
loop_
_audit_author_name
_audit_author_address
'Myung-Seok Choi'
;Konkuk University
South Korea
;
_audit_update_record             
;
2020-01-03 deposited with the CCDC.	2020-02-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        
5--(4--(1,2,2--triphenylvinyl)phenyl)--2H--chromen--2--one
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C35 H24 O2'
_chemical_formula_sum            'C35 H24 O2'
_chemical_formula_weight         476.54

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'
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 21/c'
_space_group_name_Hall           '-P 2ybc'

_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. 
;

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                   9.0695(4)
_cell_length_b                   30.7871(15)
_cell_length_c                   9.1428(4)
_cell_angle_alpha                90
_cell_angle_beta                 101.2203(17)
_cell_angle_gamma                90
_cell_volume                     2504.1(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    9908
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      28.13

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.264
_exptl_crystal_F_000             1000
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.271
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.121
_exptl_absorpt_coefficient_mu    0.077
_shelx_estimated_absorpt_T_min   0.979
_shelx_estimated_absorpt_T_max   0.991
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7010
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      223(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'PHOTON II M14'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            83136
_diffrn_reflns_av_unetI/netI     0.0312
_diffrn_reflns_av_R_equivalents  0.0823
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.289
_diffrn_reflns_theta_max         28.354
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6230
_reflns_number_gt                4195
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0418P)²+1.2594P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6230
_refine_ls_number_parameters     334
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0889
_refine_ls_R_factor_gt           0.0504
_refine_ls_wR_factor_ref         0.1407
_refine_ls_wR_factor_gt          0.1131
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
C1 C 0.2645(2) 0.15811(6) -0.14948(19) 0.0352(4) Uani 1 1 d . . . . .
C2 C 0.40818(19) 0.16384(6) -0.07773(19) 0.0346(4) Uani 1 1 d . . . . .
C3 C 0.2029(2) 0.17431(6) -0.30295(19) 0.0365(4) Uani 1 1 d . . . . .
C4 C 0.0998(2) 0.14890(7) -0.3988(2) 0.0465(5) Uani 1 1 d . . . . .
H4 H 0.0669 0.1226 -0.3639 0.056 Uiso 1 1 calc R U . . .
C5 C 0.0443(2) 0.16164(8) -0.5450(2) 0.0551(5) Uani 1 1 d . . . . .
H5 H -0.0234 0.1437 -0.6088 0.066 Uiso 1 1 calc R U . . .
C6 C 0.0885(2) 0.20056(8) -0.5962(2) 0.0562(6) Uani 1 1 d . . . . .
H6 H 0.0520 0.2092 -0.6952 0.067 Uiso 1 1 calc R U . . .
C7 C 0.1865(2) 0.22688(7) -0.5017(2) 0.0517(5) Uani 1 1 d . . . . .
H7 H 0.2151 0.2538 -0.5360 0.062 Uiso 1 1 calc R U . . .
C8 C 0.2434(2) 0.21404(6) -0.3566(2) 0.0442(4) Uani 1 1 d . . . . .
H8 H 0.3102 0.2324 -0.2934 0.053 Uiso 1 1 calc R U . . .
C9 C 0.15764(19) 0.13312(6) -0.07577(19) 0.0362(4) Uani 1 1 d . . . . .
C10 C 0.0328(2) 0.15348(7) -0.0403(2) 0.0453(4) Uani 1 1 d . . . . .
H10 H 0.0125 0.1826 -0.0684 0.054 Uiso 1 1 calc R U . . .
C11 C -0.0620(2) 0.13174(8) 0.0355(3) 0.0547(5) Uani 1 1 d . . . . .
H11 H -0.1449 0.1462 0.0606 0.066 Uiso 1 1 calc R U . . .
C12 C -0.0354(2) 0.08876(8) 0.0745(2) 0.0576(6) Uani 1 1 d . . . . .
H12 H -0.0998 0.0739 0.1265 0.069 Uiso 1 1 calc R U . . .
C13 C 0.0856(2) 0.06771(7) 0.0369(2) 0.0541(5) Uani 1 1 d . . . . .
H13 H 0.1029 0.0383 0.0619 0.065 Uiso 1 1 calc R U . . .
C14 C 0.1824(2) 0.08970(6) -0.0378(2) 0.0443(4) Uani 1 1 d . . . . .
H14 H 0.2651 0.0751 -0.0628 0.053 Uiso 1 1 calc R U . . .
C15 C 0.52820(19) 0.18448(6) -0.14474(19) 0.0358(4) Uani 1 1 d . . . . .
C16 C 0.5781(2) 0.16549(6) -0.2631(2) 0.0411(4) Uani 1 1 d . . . . .
H16 H 0.5331 0.1397 -0.3048 0.049 Uiso 1 1 calc R U . . .
C17 C 0.6930(2) 0.18391(7) -0.3211(2) 0.0481(5) Uani 1 1 d . . . . .
H17 H 0.7260 0.1705 -0.4012 0.058 Uiso 1 1 calc R U . . .
C18 C 0.7592(2) 0.22175(7) -0.2624(2) 0.0492(5) Uani 1 1 d . . . . .
H18 H 0.8367 0.2345 -0.3028 0.059 Uiso 1 1 calc R U . . .
C19 C 0.7115(3) 0.24092(8) -0.1444(2) 0.0595(6) Uani 1 1 d . . . . .
H19 H 0.7565 0.2669 -0.1037 0.071 Uiso 1 1 calc R U . . .
C20 C 0.5976(2) 0.22229(7) -0.0848(2) 0.0542(5) Uani 1 1 d . . . . .
H20 H 0.5670 0.2354 -0.0028 0.065 Uiso 1 1 calc R U . . .
C21 C 0.45962(19) 0.14604(6) 0.07562(19) 0.0347(4) Uani 1 1 d . . . . .
C22 C 0.5687(2) 0.11376(6) 0.0976(2) 0.0398(4) Uani 1 1 d . . . . .
H22 H 0.6177 0.1063 0.0194 0.048 Uiso 1 1 calc R U . . .
C23 C 0.6062(2) 0.09237(6) 0.2328(2) 0.0412(4) Uani 1 1 d . . . . .
H23 H 0.6796 0.0704 0.2453 0.049 Uiso 1 1 calc R U . . .
C24 C 0.5364(2) 0.10305(6) 0.35014(19) 0.0373(4) Uani 1 1 d . . . . .
C25 C 0.4343(2) 0.13727(6) 0.3319(2) 0.0406(4) Uani 1 1 d . . . . .
H25 H 0.3906 0.1460 0.4123 0.049 Uiso 1 1 calc R U . . .
C26 C 0.3965(2) 0.15861(6) 0.19628(19) 0.0389(4) Uani 1 1 d . . . . .
H26 H 0.3276 0.1818 0.1856 0.047 Uiso 1 1 calc R U . . .
C27 C 0.5679(2) 0.07750(6) 0.4911(2) 0.0393(4) Uani 1 1 d . . . . .
C28 C 0.4479(2) 0.05810(6) 0.5461(2) 0.0402(4) Uani 1 1 d . . . . .
C29 C 0.2948(2) 0.05668(7) 0.4661(2) 0.0487(5) Uani 1 1 d . . . . .
H29 H 0.2694 0.0700 0.3721 0.058 Uiso 1 1 calc R U . . .
C30 C 0.1878(3) 0.03662(7) 0.5238(3) 0.0582(6) Uani 1 1 d . . . . .
H30 H 0.0889 0.0359 0.4687 0.070 Uiso 1 1 calc R U . . .
C31 C 0.2207(3) 0.01633(7) 0.6669(3) 0.0587(6) Uani 1 1 d . . . . .
O1 O 0.36811(19) 0.01773(5) 0.74357(17) 0.0575(4) Uani 1 1 d . . . . .
C32 C 0.4810(2) 0.03698(6) 0.6836(2) 0.0459(5) Uani 1 1 d . . . . .
C33 C 0.6253(3) 0.03367(7) 0.7660(2) 0.0549(5) Uani 1 1 d . . . . .
H33 H 0.6438 0.0197 0.8591 0.066 Uiso 1 1 calc R U . . .
C34 C 0.7416(3) 0.05136(8) 0.7086(2) 0.0570(6) Uani 1 1 d . . . . .
H34 H 0.8408 0.0490 0.7622 0.068 Uiso 1 1 calc R U . . .
C35 C 0.7133(2) 0.07283(7) 0.5715(2) 0.0479(5) Uani 1 1 d . . . . .
H35 H 0.7940 0.0843 0.5331 0.057 Uiso 1 1 calc R U . . .
O2 O 0.1332(2) -0.00267(6) 0.7288(2) 0.0820(6) Uani 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
C1 C2 1.352(2) . ?
C1 C3 1.491(2) . ?
C1 C9 1.496(2) . ?
C2 C15 1.491(2) . ?
C2 C21 1.493(2) . ?
C3 C4 1.391(3) . ?
C3 C8 1.394(3) . ?
C4 C5 1.390(3) . ?
C4 H4 0.9400 . ?
C5 C6 1.374(3) . ?
C5 H5 0.9400 . ?
C6 C7 1.376(3) . ?
C6 H6 0.9400 . ?
C7 C8 1.384(3) . ?
C7 H7 0.9400 . ?
C8 H8 0.9400 . ?
C9 C10 1.387(3) . ?
C9 C14 1.388(3) . ?
C10 C11 1.378(3) . ?
C10 H10 0.9400 . ?
C11 C12 1.379(3) . ?
C11 H11 0.9400 . ?
C12 C13 1.374(3) . ?
C12 H12 0.9400 . ?
C13 C14 1.389(3) . ?
C13 H13 0.9400 . ?
C14 H14 0.9400 . ?
C15 C16 1.382(2) . ?
C15 C20 1.385(3) . ?
C16 C17 1.379(3) . ?
C16 H16 0.9400 . ?
C17 C18 1.371(3) . ?
C17 H17 0.9400 . ?
C18 C19 1.372(3) . ?
C18 H18 0.9400 . ?
C19 C20 1.382(3) . ?
C19 H19 0.9400 . ?
C20 H20 0.9400 . ?
C21 C22 1.389(2) . ?
C21 C26 1.393(2) . ?
C22 C23 1.384(3) . ?
C22 H22 0.9400 . ?
C23 C24 1.387(3) . ?
C23 H23 0.9400 . ?
C24 C25 1.391(3) . ?
C24 C27 1.489(2) . ?
C25 C26 1.386(2) . ?
C25 H25 0.9400 . ?
C26 H26 0.9400 . ?
C27 C35 1.387(3) . ?
C27 C28 1.417(3) . ?
C28 C32 1.395(3) . ?
C28 C29 1.439(3) . ?
C29 C30 1.342(3) . ?
C29 H29 0.9400 . ?
C30 C31 1.428(3) . ?
C30 H30 0.9400 . ?
C31 O2 1.211(3) . ?
C31 O1 1.384(3) . ?
O1 C32 1.385(2) . ?
C32 C33 1.381(3) . ?
C33 C34 1.378(3) . ?
C33 H33 0.9400 . ?
C34 C35 1.396(3) . ?
C34 H34 0.9400 . ?
C35 H35 0.9400 . ?

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
C2 C1 C3 124.19(16) . . ?
C2 C1 C9 119.75(15) . . ?
C3 C1 C9 116.04(15) . . ?
C1 C2 C15 124.62(16) . . ?
C1 C2 C21 120.22(16) . . ?
C15 C2 C21 115.00(14) . . ?
C4 C3 C8 117.56(17) . . ?
C4 C3 C1 119.15(17) . . ?
C8 C3 C1 123.29(16) . . ?
C5 C4 C3 121.3(2) . . ?
C5 C4 H4 119.3 . . ?
C3 C4 H4 119.3 . . ?
C6 C5 C4 119.9(2) . . ?
C6 C5 H5 120.1 . . ?
C4 C5 H5 120.1 . . ?
C5 C6 C7 119.71(19) . . ?
C5 C6 H6 120.1 . . ?
C7 C6 H6 120.1 . . ?
C6 C7 C8 120.5(2) . . ?
C6 C7 H7 119.7 . . ?
C8 C7 H7 119.7 . . ?
C7 C8 C3 120.91(19) . . ?
C7 C8 H8 119.5 . . ?
C3 C8 H8 119.5 . . ?
C10 C9 C14 118.45(17) . . ?
C10 C9 C1 120.18(17) . . ?
C14 C9 C1 121.35(17) . . ?
C11 C10 C9 121.0(2) . . ?
C11 C10 H10 119.5 . . ?
C9 C10 H10 119.5 . . ?
C10 C11 C12 120.1(2) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C13 C12 C11 119.7(2) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C12 C13 C14 120.3(2) . . ?
C12 C13 H13 119.8 . . ?
C14 C13 H13 119.8 . . ?
C9 C14 C13 120.4(2) . . ?
C9 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C16 C15 C20 118.21(17) . . ?
C16 C15 C2 121.21(16) . . ?
C20 C15 C2 120.52(16) . . ?
C17 C16 C15 120.93(18) . . ?
C17 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C18 C17 C16 120.37(19) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C17 C18 C19 119.44(19) . . ?
C17 C18 H18 120.3 . . ?
C19 C18 H18 120.3 . . ?
C18 C19 C20 120.4(2) . . ?
C18 C19 H19 119.8 . . ?
C20 C19 H19 119.8 . . ?
C19 C20 C15 120.7(2) . . ?
C19 C20 H20 119.7 . . ?
C15 C20 H20 119.7 . . ?
C22 C21 C26 118.38(16) . . ?
C22 C21 C2 118.80(16) . . ?
C26 C21 C2 122.70(16) . . ?
C23 C22 C21 120.93(17) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C22 C23 C24 120.56(17) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C23 C24 C25 118.67(16) . . ?
C23 C24 C27 120.30(16) . . ?
C25 C24 C27 121.01(16) . . ?
C26 C25 C24 120.65(17) . . ?
C26 C25 H25 119.7 . . ?
C24 C25 H25 119.7 . . ?
C25 C26 C21 120.56(17) . . ?
C25 C26 H26 119.7 . . ?
C21 C26 H26 119.7 . . ?
C35 C27 C28 119.02(17) . . ?
C35 C27 C24 121.07(17) . . ?
C28 C27 C24 119.91(16) . . ?
C32 C28 C27 118.12(18) . . ?
C32 C28 C29 117.46(18) . . ?
C27 C28 C29 124.35(17) . . ?
C30 C29 C28 120.9(2) . . ?
C30 C29 H29 119.5 . . ?
C28 C29 H29 119.5 . . ?
C29 C30 C31 121.6(2) . . ?
C29 C30 H30 119.2 . . ?
C31 C30 H30 119.2 . . ?
O2 C31 O1 115.7(2) . . ?
O2 C31 C30 126.9(3) . . ?
O1 C31 C30 117.3(2) . . ?
C31 O1 C32 121.89(17) . . ?
C33 C32 O1 116.57(18) . . ?
C33 C32 C28 122.7(2) . . ?
O1 C32 C28 120.69(19) . . ?
C34 C33 C32 118.49(19) . . ?
C34 C33 H33 120.8 . . ?
C32 C33 H33 120.8 . . ?
C33 C34 C35 120.6(2) . . ?
C33 C34 H34 119.7 . . ?
C35 C34 H34 119.7 . . ?
C27 C35 C34 121.0(2) . . ?
C27 C35 H35 119.5 . . ?
C34 C35 H35 119.5 . . ?

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
C3 C1 C2 C15 -4.2(3) . . . . ?
C9 C1 C2 C15 174.09(16) . . . . ?
C3 C1 C2 C21 -179.47(16) . . . . ?
C9 C1 C2 C21 -1.1(3) . . . . ?
C2 C1 C3 C4 142.35(19) . . . . ?
C9 C1 C3 C4 -36.0(2) . . . . ?
C2 C1 C3 C8 -37.7(3) . . . . ?
C9 C1 C3 C8 143.89(18) . . . . ?
C8 C3 C4 C5 3.0(3) . . . . ?
C1 C3 C4 C5 -177.06(19) . . . . ?
C3 C4 C5 C6 -1.7(3) . . . . ?
C4 C5 C6 C7 -0.6(3) . . . . ?
C5 C6 C7 C8 1.4(3) . . . . ?
C6 C7 C8 C3 0.0(3) . . . . ?
C4 C3 C8 C7 -2.2(3) . . . . ?
C1 C3 C8 C7 177.88(18) . . . . ?
C2 C1 C9 C10 116.3(2) . . . . ?
C3 C1 C9 C10 -65.3(2) . . . . ?
C2 C1 C9 C14 -62.0(2) . . . . ?
C3 C1 C9 C14 116.42(19) . . . . ?
C14 C9 C10 C11 2.2(3) . . . . ?
C1 C9 C10 C11 -176.12(18) . . . . ?
C9 C10 C11 C12 -1.4(3) . . . . ?
C10 C11 C12 C13 -0.3(3) . . . . ?
C11 C12 C13 C14 1.1(3) . . . . ?
C10 C9 C14 C13 -1.4(3) . . . . ?
C1 C9 C14 C13 176.92(17) . . . . ?
C12 C13 C14 C9 -0.2(3) . . . . ?
C1 C2 C15 C16 -65.0(3) . . . . ?
C21 C2 C15 C16 110.50(19) . . . . ?
C1 C2 C15 C20 118.1(2) . . . . ?
C21 C2 C15 C20 -66.4(2) . . . . ?
C20 C15 C16 C17 -0.6(3) . . . . ?
C2 C15 C16 C17 -177.59(18) . . . . ?
C15 C16 C17 C18 -0.4(3) . . . . ?
C16 C17 C18 C19 0.7(3) . . . . ?
C17 C18 C19 C20 0.0(4) . . . . ?
C18 C19 C20 C15 -1.1(4) . . . . ?
C16 C15 C20 C19 1.4(3) . . . . ?
C2 C15 C20 C19 178.4(2) . . . . ?
C1 C2 C21 C22 115.5(2) . . . . ?
C15 C2 C21 C22 -60.1(2) . . . . ?
C1 C2 C21 C26 -60.5(2) . . . . ?
C15 C2 C21 C26 123.79(18) . . . . ?
C26 C21 C22 C23 4.6(3) . . . . ?
C2 C21 C22 C23 -171.68(17) . . . . ?
C21 C22 C23 C24 -0.6(3) . . . . ?
C22 C23 C24 C25 -3.6(3) . . . . ?
C22 C23 C24 C27 174.94(17) . . . . ?
C23 C24 C25 C26 3.8(3) . . . . ?
C27 C24 C25 C26 -174.74(17) . . . . ?
C24 C25 C26 C21 0.2(3) . . . . ?
C22 C21 C26 C25 -4.4(3) . . . . ?
C2 C21 C26 C25 171.72(17) . . . . ?
C23 C24 C27 C35 56.8(3) . . . . ?
C25 C24 C27 C35 -124.8(2) . . . . ?
C23 C24 C27 C28 -124.2(2) . . . . ?
C25 C24 C27 C28 54.3(2) . . . . ?
C35 C27 C28 C32 3.3(3) . . . . ?
C24 C27 C28 C32 -175.70(17) . . . . ?
C35 C27 C28 C29 -173.22(19) . . . . ?
C24 C27 C28 C29 7.7(3) . . . . ?
C32 C28 C29 C30 1.5(3) . . . . ?
C27 C28 C29 C30 178.1(2) . . . . ?
C28 C29 C30 C31 0.7(3) . . . . ?
C29 C30 C31 O2 -179.7(2) . . . . ?
C29 C30 C31 O1 -0.7(3) . . . . ?
O2 C31 O1 C32 177.5(2) . . . . ?
C30 C31 O1 C32 -1.6(3) . . . . ?
C31 O1 C32 C33 -175.57(19) . . . . ?
C31 O1 C32 C28 3.9(3) . . . . ?
C27 C28 C32 C33 -1.1(3) . . . . ?
C29 C28 C32 C33 175.67(19) . . . . ?
C27 C28 C32 O1 179.44(17) . . . . ?
C29 C28 C32 O1 -3.8(3) . . . . ?
O1 C32 C33 C34 178.31(19) . . . . ?
C28 C32 C33 C34 -1.1(3) . . . . ?
C32 C33 C34 C35 1.2(3) . . . . ?
C28 C27 C35 C34 -3.4(3) . . . . ?
C24 C27 C35 C34 175.66(19) . . . . ?
C33 C34 C35 C27 1.1(3) . . . . ?

_refine_diff_density_max         0.180
_refine_diff_density_min         -0.241
_refine_diff_density_rms         0.044


_exptl_crystal_recrystallization_method 
'Slow diffusion of ethanol into dichloromethane solution at room temperature'
_exptl_crystal_preparation       Luminescent
