# 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 2024

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2327221'
loop_
_audit_author_name
_audit_author_address
'Yongqing Li'
;East China University of Science and Technology
China
;
_audit_update_record             
;
2024-01-22 deposited with the CCDC.	2024-06-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C29 H26'
_chemical_formula_weight         374.50

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   7.944(2)
_cell_length_b                   11.109(3)
_cell_length_c                   13.450(4)
_cell_angle_alpha                70.038(14)
_cell_angle_beta                 75.929(15)
_cell_angle_gamma                76.156(14)
_cell_volume                     1066.2(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.167
_exptl_crystal_F_000             400
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    0.314
_shelx_estimated_absorpt_T_min   0.940
_shelx_estimated_absorpt_T_max   0.963
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     1.34139
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            9993
_diffrn_reflns_av_unetI/netI     0.0566
_diffrn_reflns_av_R_equivalents  0.0729
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         4.072
_diffrn_reflns_theta_max         42.647
_diffrn_reflns_theta_full        42.647
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.985
_reflns_number_total             2261
_reflns_number_gt                1725
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.2000P)²] 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     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.063(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         2261
_refine_ls_number_parameters     265
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1592
_refine_ls_R_factor_gt           0.1416
_refine_ls_wR_factor_ref         0.3692
_refine_ls_wR_factor_gt          0.3521
_refine_ls_goodness_of_fit_ref   1.563
_refine_ls_restrained_S_all      1.563
_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 0.8833(8) 0.7462(6) 0.0641(5) 0.0429(18) Uani 1 1 d . . . . .
C2 C -0.0965(8) 0.1941(6) 0.5504(5) 0.0427(18) Uani 1 1 d . . . . .
C3 C 0.0668(8) 0.2381(6) 0.4777(5) 0.0432(18) Uani 1 1 d . . . . .
C4 C 0.2721(8) 0.3872(5) 0.4117(5) 0.0394(17) Uani 1 1 d . . . . .
C5 C 0.1227(8) 0.3454(6) 0.4808(5) 0.0429(18) Uani 1 1 d . . . . .
H5 H 0.058327 0.390683 0.530603 0.051 Uiso 1 1 calc R U . . .
C6 C 0.1641(9) 0.1725(6) 0.4042(5) 0.0489(18) Uani 1 1 d . . . . .
H6 H 0.125991 0.099206 0.401181 0.059 Uiso 1 1 calc R U . . .
C7 C 0.3694(8) 0.3193(6) 0.3400(5) 0.0417(17) Uani 1 1 d . . . . .
C8 C -0.1040(8) 0.1449(5) 0.6635(5) 0.0418(18) Uani 1 1 d . . . . .
C9 C 0.7802(8) 0.5393(6) 0.1861(5) 0.0470(19) Uani 1 1 d . . . . .
C10 C 0.9191(8) 0.6221(6) 0.1349(5) 0.0456(18) Uani 1 1 d . . . . .
C11 C 0.5168(8) 0.4883(6) 0.3146(5) 0.0429(18) Uani 1 1 d . . . . .
C12 C 0.5201(8) 0.3841(6) 0.2775(5) 0.0412(17) Uani 1 1 d . . . . .
C13 C 0.3132(9) 0.2119(6) 0.3366(5) 0.0461(18) Uani 1 1 d . . . . .
H13 H 0.378079 0.165877 0.287478 0.055 Uiso 1 1 calc R U . . .
C14 C 0.7828(8) 0.4338(6) 0.1504(5) 0.0503(19) Uani 1 1 d . . . . .
H14 H 0.874348 0.415183 0.094660 0.060 Uiso 1 1 calc R U . . .
C15 C 0.6536(8) 0.3563(6) 0.1955(5) 0.0481(18) Uani 1 1 d . . . . .
H15 H 0.656093 0.285289 0.170733 0.058 Uiso 1 1 calc R U . . .
C16 C -0.2418(9) 0.2045(6) 0.5080(6) 0.0517(19) Uani 1 1 d . . . . .
H16 H -0.235588 0.237634 0.432300 0.062 Uiso 1 1 calc R U . . .
C17 C 1.1878(9) 0.7688(8) 0.0414(6) 0.060(2) Uani 1 1 d . . . . .
H17 H 1.278971 0.819262 0.009201 0.072 Uiso 1 1 calc R U . . .
C18 C 1.0885(9) 0.5735(7) 0.1561(5) 0.057(2) Uani 1 1 d . . . . .
H18 H 1.113663 0.487877 0.202991 0.068 Uiso 1 1 calc R U . . .
C19 C 0.6458(8) 0.5635(6) 0.2694(5) 0.0465(19) Uani 1 1 d . . . . .
H19 H 0.643794 0.633559 0.295133 0.056 Uiso 1 1 calc R U . . .
C20 C 1.0203(9) 0.8180(6) 0.0188(5) 0.0517(19) Uani 1 1 d . . . . .
H20 H 0.997161 0.903263 -0.028984 0.062 Uiso 1 1 calc R U . . .
C21 C -0.2613(9) 0.1104(6) 0.7281(5) 0.053(2) Uani 1 1 d . . . . .
H21 H -0.269039 0.077477 0.803845 0.064 Uiso 1 1 calc R U . . .
C22 C -0.4088(9) 0.1237(6) 0.6826(6) 0.057(2) Uani 1 1 d . . . . .
H22 H -0.516438 0.102074 0.727592 0.069 Uiso 1 1 calc R U . . .
C23 C 0.0536(8) 0.1172(6) 0.7142(5) 0.0522(19) Uani 1 1 d . . . . .
H23A H 0.014685 0.118257 0.789647 0.063 Uiso 1 1 calc R U . . .
H23B H 0.124806 0.186902 0.675884 0.063 Uiso 1 1 calc R U . . .
C24 C 0.7066(9) 0.8037(7) 0.0309(6) 0.059(2) Uani 1 1 d . . . . .
H24A H 0.612988 0.772509 0.091964 0.071 Uiso 1 1 calc R U . . .
H24B H 0.689101 0.899525 0.012521 0.071 Uiso 1 1 calc R U . . .
C25 C 0.3578(8) 0.4996(6) 0.3996(5) 0.0486(19) Uani 1 1 d . . . . .
H25A H 0.278084 0.583389 0.376627 0.058 Uiso 1 1 calc R U . . .
H25B H 0.391701 0.492160 0.467867 0.058 Uiso 1 1 calc R U . . .
C26 C -0.3967(9) 0.1682(7) 0.5722(7) 0.060(2) Uani 1 1 d . . . . .
H26 H -0.494347 0.173824 0.540757 0.072 Uiso 1 1 calc R U . . .
C27 C 0.1666(9) -0.0114(7) 0.7122(6) 0.067(2) Uani 1 1 d . . . . .
H27A H 0.092805 -0.078986 0.739214 0.100 Uiso 1 1 calc R U . . .
H27B H 0.255121 -0.032322 0.757906 0.100 Uiso 1 1 calc R U . . .
H27C H 0.225574 -0.006845 0.638370 0.100 Uiso 1 1 calc R U . . .
C28 C 1.2215(9) 0.6463(8) 0.1108(6) 0.066(2) Uani 1 1 d . . . . .
H28 H 1.336174 0.611541 0.127724 0.079 Uiso 1 1 calc R U . . .
C29 C 0.6904(10) 0.7682(9) -0.0634(6) 0.079(3) Uani 1 1 d . . . . .
H29A H 0.789578 0.791201 -0.121728 0.119 Uiso 1 1 calc R U . . .
H29B H 0.579638 0.815540 -0.087826 0.119 Uiso 1 1 calc R U . . .
H29C H 0.691432 0.674461 -0.042545 0.119 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
C1 C10 1.391(9) . ?
C1 C20 1.398(8) . ?
C1 C24 1.504(9) . ?
C2 C16 1.372(8) . ?
C2 C8 1.421(9) . ?
C2 C3 1.496(9) . ?
C3 C5 1.385(8) . ?
C3 C6 1.399(9) . ?
C4 C5 1.386(8) . ?
C4 C7 1.397(8) . ?
C4 C25 1.504(8) . ?
C5 H5 0.9500 . ?
C6 C13 1.369(9) . ?
C6 H6 0.9500 . ?
C7 C13 1.388(9) . ?
C7 C12 1.472(8) . ?
C8 C21 1.391(8) . ?
C8 C23 1.488(8) . ?
C9 C19 1.397(9) . ?
C9 C14 1.405(9) . ?
C9 C10 1.490(9) . ?
C10 C18 1.385(9) . ?
C11 C19 1.370(8) . ?
C11 C12 1.400(8) . ?
C11 C25 1.496(8) . ?
C12 C15 1.395(9) . ?
C13 H13 0.9500 . ?
C14 C15 1.388(9) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C26 1.381(9) . ?
C16 H16 0.9500 . ?
C17 C28 1.369(10) . ?
C17 C20 1.378(9) . ?
C17 H17 0.9500 . ?
C18 C28 1.379(9) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.404(9) . ?
C21 H21 0.9500 . ?
C22 C26 1.382(10) . ?
C22 H22 0.9500 . ?
C23 C27 1.499(9) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C29 1.491(10) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26 0.9500 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28 0.9500 . ?
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
C10 C1 C20 118.2(6) . . ?
C10 C1 C24 122.9(6) . . ?
C20 C1 C24 118.8(6) . . ?
C16 C2 C8 119.7(6) . . ?
C16 C2 C3 119.8(6) . . ?
C8 C2 C3 120.5(5) . . ?
C5 C3 C6 118.9(6) . . ?
C5 C3 C2 120.6(6) . . ?
C6 C3 C2 120.4(5) . . ?
C5 C4 C7 120.0(5) . . ?
C5 C4 C25 130.2(5) . . ?
C7 C4 C25 109.7(5) . . ?
C3 C5 C4 120.3(6) . . ?
C3 C5 H5 119.8 . . ?
C4 C5 H5 119.8 . . ?
C13 C6 C3 121.2(6) . . ?
C13 C6 H6 119.4 . . ?
C3 C6 H6 119.4 . . ?
C13 C7 C4 119.7(6) . . ?
C13 C7 C12 131.9(6) . . ?
C4 C7 C12 108.4(5) . . ?
C21 C8 C2 118.3(6) . . ?
C21 C8 C23 118.9(6) . . ?
C2 C8 C23 122.5(6) . . ?
C19 C9 C14 118.5(6) . . ?
C19 C9 C10 121.9(6) . . ?
C14 C9 C10 119.7(6) . . ?
C18 C10 C1 119.2(6) . . ?
C18 C10 C9 119.4(6) . . ?
C1 C10 C9 121.4(5) . . ?
C19 C11 C12 119.5(6) . . ?
C19 C11 C25 130.6(6) . . ?
C12 C11 C25 109.8(5) . . ?
C15 C12 C11 120.5(6) . . ?
C15 C12 C7 131.0(6) . . ?
C11 C12 C7 108.4(5) . . ?
C6 C13 C7 119.8(6) . . ?
C6 C13 H13 120.1 . . ?
C7 C13 H13 120.1 . . ?
C15 C14 C9 120.9(6) . . ?
C15 C14 H14 119.5 . . ?
C9 C14 H14 119.5 . . ?
C14 C15 C12 119.1(6) . . ?
C14 C15 H15 120.4 . . ?
C12 C15 H15 120.4 . . ?
C2 C16 C26 121.8(6) . . ?
C2 C16 H16 119.1 . . ?
C26 C16 H16 119.1 . . ?
C28 C17 C20 119.3(7) . . ?
C28 C17 H17 120.4 . . ?
C20 C17 H17 120.4 . . ?
C28 C18 C10 121.6(7) . . ?
C28 C18 H18 119.2 . . ?
C10 C18 H18 119.2 . . ?
C11 C19 C9 121.4(6) . . ?
C11 C19 H19 119.3 . . ?
C9 C19 H19 119.3 . . ?
C17 C20 C1 121.9(6) . . ?
C17 C20 H20 119.0 . . ?
C1 C20 H20 119.0 . . ?
C8 C21 C22 120.9(6) . . ?
C8 C21 H21 119.6 . . ?
C22 C21 H21 119.6 . . ?
C26 C22 C21 119.8(7) . . ?
C26 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C8 C23 C27 112.7(5) . . ?
C8 C23 H23A 109.0 . . ?
C27 C23 H23A 109.0 . . ?
C8 C23 H23B 109.0 . . ?
C27 C23 H23B 109.0 . . ?
H23A C23 H23B 107.8 . . ?
C29 C24 C1 112.0(6) . . ?
C29 C24 H24A 109.2 . . ?
C1 C24 H24A 109.2 . . ?
C29 C24 H24B 109.2 . . ?
C1 C24 H24B 109.2 . . ?
H24A C24 H24B 107.9 . . ?
C11 C25 C4 103.5(5) . . ?
C11 C25 H25A 111.1 . . ?
C4 C25 H25A 111.1 . . ?
C11 C25 H25B 111.1 . . ?
C4 C25 H25B 111.1 . . ?
H25A C25 H25B 109.0 . . ?
C16 C26 C22 119.5(6) . . ?
C16 C26 H26 120.2 . . ?
C22 C26 H26 120.2 . . ?
C23 C27 H27A 109.5 . . ?
C23 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C23 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C17 C28 C18 119.8(7) . . ?
C17 C28 H28 120.1 . . ?
C18 C28 H28 120.1 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C24 C29 H29C 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
C16 C2 C3 C5 112.3(7) . . . . ?
C8 C2 C3 C5 -66.0(8) . . . . ?
C16 C2 C3 C6 -66.7(8) . . . . ?
C8 C2 C3 C6 115.0(7) . . . . ?
C6 C3 C5 C4 0.3(9) . . . . ?
C2 C3 C5 C4 -178.7(5) . . . . ?
C7 C4 C5 C3 -1.4(9) . . . . ?
C25 C4 C5 C3 179.8(6) . . . . ?
C5 C3 C6 C13 0.6(9) . . . . ?
C2 C3 C6 C13 179.6(5) . . . . ?
C5 C4 C7 C13 1.5(9) . . . . ?
C25 C4 C7 C13 -179.4(5) . . . . ?
C5 C4 C7 C12 -179.7(5) . . . . ?
C25 C4 C7 C12 -0.7(6) . . . . ?
C16 C2 C8 C21 -1.0(8) . . . . ?
C3 C2 C8 C21 177.3(5) . . . . ?
C16 C2 C8 C23 173.0(5) . . . . ?
C3 C2 C8 C23 -8.6(8) . . . . ?
C20 C1 C10 C18 -1.2(9) . . . . ?
C24 C1 C10 C18 176.0(6) . . . . ?
C20 C1 C10 C9 -179.8(6) . . . . ?
C24 C1 C10 C9 -2.5(9) . . . . ?
C19 C9 C10 C18 107.3(7) . . . . ?
C14 C9 C10 C18 -72.8(8) . . . . ?
C19 C9 C10 C1 -74.2(8) . . . . ?
C14 C9 C10 C1 105.7(7) . . . . ?
C19 C11 C12 C15 0.3(9) . . . . ?
C25 C11 C12 C15 178.1(5) . . . . ?
C19 C11 C12 C7 179.3(5) . . . . ?
C25 C11 C12 C7 -2.8(7) . . . . ?
C13 C7 C12 C15 -0.4(11) . . . . ?
C4 C7 C12 C15 -178.9(6) . . . . ?
C13 C7 C12 C11 -179.3(6) . . . . ?
C4 C7 C12 C11 2.2(7) . . . . ?
C3 C6 C13 C7 -0.4(9) . . . . ?
C4 C7 C13 C6 -0.7(9) . . . . ?
C12 C7 C13 C6 -179.1(6) . . . . ?
C19 C9 C14 C15 1.0(9) . . . . ?
C10 C9 C14 C15 -178.9(5) . . . . ?
C9 C14 C15 C12 -0.2(9) . . . . ?
C11 C12 C15 C14 -0.4(9) . . . . ?
C7 C12 C15 C14 -179.3(6) . . . . ?
C8 C2 C16 C26 -0.1(9) . . . . ?
C3 C2 C16 C26 -178.4(5) . . . . ?
C1 C10 C18 C28 1.6(10) . . . . ?
C9 C10 C18 C28 -179.9(6) . . . . ?
C12 C11 C19 C9 0.5(9) . . . . ?
C25 C11 C19 C9 -176.8(6) . . . . ?
C14 C9 C19 C11 -1.1(9) . . . . ?
C10 C9 C19 C11 178.8(6) . . . . ?
C28 C17 C20 C1 -0.4(10) . . . . ?
C10 C1 C20 C17 0.7(10) . . . . ?
C24 C1 C20 C17 -176.7(6) . . . . ?
C2 C8 C21 C22 0.1(9) . . . . ?
C23 C8 C21 C22 -174.1(5) . . . . ?
C8 C21 C22 C26 1.7(10) . . . . ?
C21 C8 C23 C27 92.9(7) . . . . ?
C2 C8 C23 C27 -81.1(7) . . . . ?
C10 C1 C24 C29 -86.8(8) . . . . ?
C20 C1 C24 C29 90.4(8) . . . . ?
C19 C11 C25 C4 179.9(6) . . . . ?
C12 C11 C25 C4 2.3(7) . . . . ?
C5 C4 C25 C11 178.0(6) . . . . ?
C7 C4 C25 C11 -1.0(7) . . . . ?
C2 C16 C26 C22 2.0(10) . . . . ?
C21 C22 C26 C16 -2.8(10) . . . . ?
C20 C17 C28 C18 0.7(11) . . . . ?
C10 C18 C28 C17 -1.3(11) . . . . ?

_refine_diff_density_max         0.774
_refine_diff_density_min         -0.381
_refine_diff_density_rms         0.120

