# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_mo_d8v19247_0m
_database_code_depnum_ccdc_archive 'CCDC 1908198'
loop_
_audit_author_name
_audit_author_address
Leiguangyue
;Shanghai Institute of Organic Chemistry
China
;
_audit_update_record             
;
2019-04-05 deposited with the CCDC.	2019-11-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H26'
_chemical_formula_weight         338.47

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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'

_cell_length_a                   9.423(7)
_cell_length_b                   10.032(6)
_cell_length_c                   11.391(7)
_cell_angle_alpha                90
_cell_angle_beta                 104.61(2)
_cell_angle_gamma                90
_cell_volume                     1042.1(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2851
_cell_measurement_theta_min      4.467
_cell_measurement_theta_max      54.685

_exptl_crystal_description       prismatic
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.079
_exptl_crystal_F_000             364
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.061
_shelx_estimated_absorpt_T_min   0.988
_shelx_estimated_absorpt_T_max   0.994
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5795
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            9901
_diffrn_reflns_av_unetI/netI     0.0629
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_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         2.514
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measured_fraction_theta_full 0.959
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_Laue_measured_fraction_full 0.959
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_point_group_measured_fraction_full 0.940
_reflns_number_total             3551
_reflns_number_gt                2326
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.846
_reflns_Friedel_fraction_max     0.948
_reflns_Friedel_fraction_full    0.919

_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    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_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)+(0.0974P)²+0.0743P] 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
_refine_ls_extinction_coef       ?
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
; 
 Flack x determined using 810 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons and Flack (2004), Acta Cryst. A60, s61). 
;
_refine_ls_abs_structure_Flack   2.3(10)
_chemical_absolute_configuration unk
_refine_ls_number_reflns         3551
_refine_ls_number_parameters     269
_refine_ls_number_restraints     55
_refine_ls_R_factor_all          0.1028
_refine_ls_R_factor_gt           0.0628
_refine_ls_wR_factor_ref         0.1939
_refine_ls_wR_factor_gt          0.1624
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.103
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.001

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 0.2530(7) 0.4021(8) 0.3656(6) 0.103(2) Uani 1 1 d . . . . .
H1 H 0.2886 0.3473 0.4324 0.124 Uiso 1 1 calc R U . . .
C2 C 0.1103(9) 0.3891(11) 0.2991(8) 0.138(3) Uani 1 1 d . U . . .
H2 H 0.0482 0.3280 0.3221 0.166 Uiso 1 1 calc R U . . .
C3 C 0.0598(9) 0.4680(11) 0.1975(8) 0.135(3) Uani 1 1 d . U . . .
H3 H -0.0362 0.4586 0.1511 0.162 Uiso 1 1 calc R U . . .
C4 C 0.1499(9) 0.5591(10) 0.1650(7) 0.129(3) Uani 1 1 d . U . . .
H4 H 0.1155 0.6125 0.0971 0.155 Uiso 1 1 calc R U . . .
C5 C 0.2896(7) 0.5714(7) 0.2322(6) 0.0923(18) Uani 1 1 d . . . . .
H5 H 0.3505 0.6332 0.2084 0.111 Uiso 1 1 calc R U . . .
C6 C 0.3449(6) 0.4968(5) 0.3337(4) 0.0702(14) Uani 1 1 d . . . . .
C7 C 0.4997(6) 0.5116(6) 0.4073(4) 0.0786(15) Uani 1 1 d . . . . .
H7A H 0.5027 0.4951 0.4918 0.094 Uiso 1 1 calc R U . . .
H7B H 0.5305 0.6030 0.4008 0.094 Uiso 1 1 calc R U . . .
C8 C 0.6109(5) 0.4176(5) 0.3696(4) 0.0650(12) Uani 1 1 d . . . . .
H8 H 0.5757 0.3259 0.3714 0.078 Uiso 1 1 calc R U . . .
C9 C 0.6198(5) 0.4467(5) 0.2460(4) 0.0633(12) Uani 1 1 d . . . . .
C10 C 0.6280(5) 0.4722(5) 0.1468(4) 0.0645(12) Uani 1 1 d . . . . .
C11 C 0.6465(5) 0.5046(5) 0.0283(4) 0.0637(13) Uani 1 1 d . . . . .
C12 C 0.6276(7) 0.6330(6) -0.0162(5) 0.0858(17) Uani 1 1 d . . . . .
H12 H 0.5949 0.6994 0.0276 0.103 Uiso 1 1 calc R U . . .
C13 C 0.6572(8) 0.6624(7) -0.1254(5) 0.099(2) Uani 1 1 d . . . . .
H13 H 0.6460 0.7495 -0.1544 0.119 Uiso 1 1 calc R U . . .
C14 C 0.7022(8) 0.5664(8) -0.1911(6) 0.098(2) Uani 1 1 d . . . . .
H14 H 0.7227 0.5876 -0.2646 0.118 Uiso 1 1 calc R U . . .
C15 C 0.7173(7) 0.4414(7) -0.1504(5) 0.0902(18) Uani 1 1 d . . . . .
H15 H 0.7477 0.3757 -0.1963 0.108 Uiso 1 1 calc R U . . .
C16 C 0.6887(6) 0.4078(6) -0.0416(4) 0.0776(15) Uani 1 1 d . . . . .
H16 H 0.6978 0.3197 -0.0152 0.093 Uiso 1 1 calc R U . . .
C17 C 0.7595(5) 0.4283(5) 0.4612(3) 0.0610(12) Uani 1 1 d . . . . .
C18 C 0.8517(6) 0.5336(6) 0.4615(5) 0.0818(16) Uani 1 1 d . . . . .
H18 H 0.8265 0.5973 0.4005 0.098 Uiso 1 1 calc R U . . .
C19 C 0.9810(6) 0.5478(6) 0.5500(5) 0.0844(16) Uani 1 1 d . . . . .
H19 H 1.0394 0.6221 0.5482 0.101 Uiso 1 1 calc R U . . .
C20 C 1.0263(5) 0.4550(5) 0.6408(4) 0.0642(12) Uani 1 1 d . . . . .
C21 C 0.9363(6) 0.3472(5) 0.6386(4) 0.0703(14) Uani 1 1 d . . . . .
H21 H 0.9638 0.2812 0.6973 0.084 Uiso 1 1 calc R U . . .
C22 C 0.8047(6) 0.3343(5) 0.5505(4) 0.0686(13) Uani 1 1 d . . . . .
H22 H 0.7459 0.2603 0.5521 0.082 Uiso 1 1 calc R U . . .
C23 C 1.1690(6) 0.4721(5) 0.7394(5) 0.0790(15) Uani 1 1 d D . . . .
C24 C 1.2922(19) 0.413(2) 0.7032(16) 0.117(4) Uani 0.5 1 d D U P A 1
H24A H 1.3172 0.4673 0.6420 0.176 Uiso 0.5 1 calc R U P A 1
H24B H 1.2659 0.3253 0.6714 0.176 Uiso 0.5 1 calc R U P A 1
H24C H 1.3749 0.4072 0.7724 0.176 Uiso 0.5 1 calc R U P A 1
C25 C 1.156(2) 0.388(2) 0.8564(13) 0.122(4) Uani 0.5 1 d D U P A 1
H25A H 1.1616 0.2945 0.8400 0.183 Uiso 0.5 1 calc R U P A 1
H25B H 1.0645 0.4073 0.8747 0.183 Uiso 0.5 1 calc R U P A 1
H25C H 1.2355 0.4118 0.9245 0.183 Uiso 0.5 1 calc R U P A 1
C26 C 1.1777(19) 0.6099(14) 0.7927(14) 0.120(4) Uani 0.5 1 d D U P A 1
H26A H 1.2677 0.6192 0.8543 0.180 Uiso 0.5 1 calc R U P A 1
H26B H 1.0963 0.6237 0.8278 0.180 Uiso 0.5 1 calc R U P A 1
H26C H 1.1745 0.6746 0.7300 0.180 Uiso 0.5 1 calc R U P A 1
C24' C 1.2717(19) 0.3488(16) 0.7366(14) 0.103(4) Uani 0.5 1 d D U P A 2
H24D H 1.3656 0.3636 0.7921 0.154 Uiso 0.5 1 calc R U P A 2
H24E H 1.2841 0.3376 0.6561 0.154 Uiso 0.5 1 calc R U P A 2
H24F H 1.2281 0.2699 0.7601 0.154 Uiso 0.5 1 calc R U P A 2
C25' C 1.1416(19) 0.487(2) 0.8598(12) 0.110(4) Uani 0.5 1 d D U P A 2
H25D H 1.0960 0.5719 0.8647 0.166 Uiso 0.5 1 calc R U P A 2
H25E H 1.2328 0.4826 0.9206 0.166 Uiso 0.5 1 calc R U P A 2
H25F H 1.0779 0.4171 0.8728 0.166 Uiso 0.5 1 calc R U P A 2
C26' C 1.2605(15) 0.5977(14) 0.7127(13) 0.106(4) Uani 0.5 1 d D U P A 2
H26D H 1.2004 0.6762 0.7041 0.158 Uiso 0.5 1 calc R U P A 2
H26E H 1.2903 0.5828 0.6392 0.158 Uiso 0.5 1 calc R U P A 2
H26F H 1.3457 0.6096 0.7789 0.158 Uiso 0.5 1 calc R U P A 2


_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 1.373(9) . ?
C1 C6 1.395(8) . ?
C1 H1 0.9300 . ?
C2 C3 1.384(12) . ?
C2 H2 0.9300 . ?
C3 C4 1.360(13) . ?
C3 H3 0.9300 . ?
C4 C5 1.351(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.365(8) . ?
C5 H5 0.9300 . ?
C6 C7 1.495(7) . ?
C7 C8 1.549(7) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.461(6) . ?
C8 C17 1.524(7) . ?
C8 H8 0.9800 . ?
C9 C10 1.179(6) . ?
C10 C11 1.441(6) . ?
C11 C16 1.376(7) . ?
C11 C12 1.379(8) . ?
C12 C13 1.373(8) . ?
C12 H12 0.9300 . ?
C13 C14 1.353(9) . ?
C13 H13 0.9300 . ?
C14 C15 1.333(9) . ?
C14 H14 0.9300 . ?
C15 C16 1.375(7) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 C18 1.367(7) . ?
C17 C22 1.374(6) . ?
C18 C19 1.379(7) . ?
C18 H18 0.9300 . ?
C19 C20 1.377(7) . ?
C19 H19 0.9300 . ?
C20 C21 1.371(7) . ?
C20 C23 1.529(7) . ?
C21 C22 1.390(7) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C24 1.452(17) . ?
C23 C25' 1.466(13) . ?
C23 C26 1.503(14) . ?
C23 C24' 1.576(15) . ?
C23 C26' 1.598(13) . ?
C23 C25 1.608(15) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C24' H24D 0.9600 . ?
C24' H24E 0.9600 . ?
C24' H24F 0.9600 . ?
C25' H25D 0.9600 . ?
C25' H25E 0.9600 . ?
C25' H25F 0.9600 . ?
C26' H26D 0.9600 . ?
C26' H26E 0.9600 . ?
C26' H26F 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
C2 C1 C6 120.5(8) . . ?
C2 C1 H1 119.8 . . ?
C6 C1 H1 119.8 . . ?
C1 C2 C3 119.3(9) . . ?
C1 C2 H2 120.3 . . ?
C3 C2 H2 120.3 . . ?
C4 C3 C2 120.4(8) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C5 C4 C3 119.5(9) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C4 C5 C6 122.6(7) . . ?
C4 C5 H5 118.7 . . ?
C6 C5 H5 118.7 . . ?
C5 C6 C1 117.7(6) . . ?
C5 C6 C7 122.0(5) . . ?
C1 C6 C7 120.2(5) . . ?
C6 C7 C8 114.6(4) . . ?
C6 C7 H7A 108.6 . . ?
C8 C7 H7A 108.6 . . ?
C6 C7 H7B 108.6 . . ?
C8 C7 H7B 108.6 . . ?
H7A C7 H7B 107.6 . . ?
C9 C8 C17 112.3(4) . . ?
C9 C8 C7 110.7(4) . . ?
C17 C8 C7 109.6(4) . . ?
C9 C8 H8 108.0 . . ?
C17 C8 H8 108.0 . . ?
C7 C8 H8 108.0 . . ?
C10 C9 C8 178.9(6) . . ?
C9 C10 C11 176.8(5) . . ?
C16 C11 C12 118.4(5) . . ?
C16 C11 C10 120.2(5) . . ?
C12 C11 C10 121.3(5) . . ?
C13 C12 C11 119.8(6) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C14 C13 C12 120.8(6) . . ?
C14 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
C15 C14 C13 119.9(6) . . ?
C15 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C14 C15 C16 121.1(6) . . ?
C14 C15 H15 119.5 . . ?
C16 C15 H15 119.5 . . ?
C15 C16 C11 120.0(6) . . ?
C15 C16 H16 120.0 . . ?
C11 C16 H16 120.0 . . ?
C18 C17 C22 116.7(5) . . ?
C18 C17 C8 122.0(4) . . ?
C22 C17 C8 121.2(4) . . ?
C17 C18 C19 121.7(5) . . ?
C17 C18 H18 119.1 . . ?
C19 C18 H18 119.1 . . ?
C20 C19 C18 121.9(5) . . ?
C20 C19 H19 119.1 . . ?
C18 C19 H19 119.1 . . ?
C21 C20 C19 116.5(5) . . ?
C21 C20 C23 121.9(4) . . ?
C19 C20 C23 121.6(5) . . ?
C20 C21 C22 121.5(4) . . ?
C20 C21 H21 119.3 . . ?
C22 C21 H21 119.3 . . ?
C17 C22 C21 121.6(4) . . ?
C17 C22 H22 119.2 . . ?
C21 C22 H22 119.2 . . ?
C24 C23 C26 121.6(12) . . ?
C24 C23 C20 111.3(8) . . ?
C25' C23 C20 111.6(8) . . ?
C26 C23 C20 110.4(7) . . ?
C25' C23 C24' 110.7(10) . . ?
C20 C23 C24' 109.1(7) . . ?
C25' C23 C26' 109.1(10) . . ?
C20 C23 C26' 111.5(6) . . ?
C24' C23 C26' 104.6(9) . . ?
C24 C23 C25 104.6(11) . . ?
C26 C23 C25 98.9(11) . . ?
C20 C23 C25 108.3(7) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C23 C24' H24D 109.5 . . ?
C23 C24' H24E 109.5 . . ?
H24D C24' H24E 109.5 . . ?
C23 C24' H24F 109.5 . . ?
H24D C24' H24F 109.5 . . ?
H24E C24' H24F 109.5 . . ?
C23 C25' H25D 109.5 . . ?
C23 C25' H25E 109.5 . . ?
H25D C25' H25E 109.5 . . ?
C23 C25' H25F 109.5 . . ?
H25D C25' H25F 109.5 . . ?
H25E C25' H25F 109.5 . . ?
C23 C26' H26D 109.5 . . ?
C23 C26' H26E 109.5 . . ?
H26D C26' H26E 109.5 . . ?
C23 C26' H26F 109.5 . . ?
H26D C26' H26F 109.5 . . ?
H26E C26' H26F 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
C6 C1 C2 C3 2.2(11) . . . . ?
C1 C2 C3 C4 -1.2(12) . . . . ?
C2 C3 C4 C5 0.5(12) . . . . ?
C3 C4 C5 C6 -0.9(10) . . . . ?
C4 C5 C6 C1 1.9(8) . . . . ?
C4 C5 C6 C7 -179.9(6) . . . . ?
C2 C1 C6 C5 -2.5(9) . . . . ?
C2 C1 C6 C7 179.3(6) . . . . ?
C5 C6 C7 C8 -91.4(6) . . . . ?
C1 C6 C7 C8 86.8(6) . . . . ?
C6 C7 C8 C9 63.3(6) . . . . ?
C6 C7 C8 C17 -172.3(5) . . . . ?
C16 C11 C12 C13 -2.9(9) . . . . ?
C10 C11 C12 C13 175.0(5) . . . . ?
C11 C12 C13 C14 1.2(10) . . . . ?
C12 C13 C14 C15 0.5(11) . . . . ?
C13 C14 C15 C16 -0.4(10) . . . . ?
C14 C15 C16 C11 -1.3(9) . . . . ?
C12 C11 C16 C15 2.9(8) . . . . ?
C10 C11 C16 C15 -174.9(5) . . . . ?
C9 C8 C17 C18 46.2(7) . . . . ?
C7 C8 C17 C18 -77.3(6) . . . . ?
C9 C8 C17 C22 -136.3(5) . . . . ?
C7 C8 C17 C22 100.3(5) . . . . ?
C22 C17 C18 C19 -2.5(8) . . . . ?
C8 C17 C18 C19 175.2(5) . . . . ?
C17 C18 C19 C20 1.8(9) . . . . ?
C18 C19 C20 C21 0.3(8) . . . . ?
C18 C19 C20 C23 -179.3(5) . . . . ?
C19 C20 C21 C22 -1.4(7) . . . . ?
C23 C20 C21 C22 178.2(5) . . . . ?
C18 C17 C22 C21 1.4(7) . . . . ?
C8 C17 C22 C21 -176.3(4) . . . . ?
C20 C21 C22 C17 0.5(7) . . . . ?
C21 C20 C23 C24 91.1(10) . . . . ?
C19 C20 C23 C24 -89.4(10) . . . . ?
C21 C20 C23 C25' -63.7(10) . . . . ?
C19 C20 C23 C25' 115.9(10) . . . . ?
C21 C20 C23 C26 -130.7(9) . . . . ?
C19 C20 C23 C26 48.9(11) . . . . ?
C21 C20 C23 C24' 59.0(9) . . . . ?
C19 C20 C23 C24' -121.4(8) . . . . ?
C21 C20 C23 C26' 174.1(8) . . . . ?
C19 C20 C23 C26' -6.4(9) . . . . ?
C21 C20 C23 C25 -23.4(10) . . . . ?
C19 C20 C23 C25 156.2(9) . . . . ?

_refine_diff_density_max         0.208
_refine_diff_density_min         -0.155
_refine_diff_density_rms         0.032

_shelxl_version_number           2013-4

