# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# 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_1_a
_database_code_depnum_ccdc_archive 'CCDC 2174202'
loop_
_audit_author_name
_audit_author_address
'zhaolong he'
;dalianligongdaxue
China
;
_audit_update_record             
;
2022-05-23 deposited with the CCDC.	2022-11-17 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            'C62 H64 N2 O2'
_chemical_formula_weight         869.15

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      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                   11.744(6)
_cell_length_b                   12.517(9)
_cell_length_c                   18.534(10)
_cell_angle_alpha                91.23(2)
_cell_angle_beta                 106.013(8)
_cell_angle_gamma                101.022(9)
_cell_volume                     2562(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9981
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      27.42

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.126
_exptl_crystal_F_000             932
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    0.067
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_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      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            42598
_diffrn_reflns_av_unetI/netI     0.0366
_diffrn_reflns_av_R_equivalents  0.0482
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.843
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_full        24.998
_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             8869
_reflns_number_gt                7372
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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    'SHELXT 2014/5 (Sheldrick, 2014)'
_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)+(0.0800P)²+0.8707P] 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         8869
_refine_ls_number_parameters     609
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0653
_refine_ls_R_factor_gt           0.0540
_refine_ls_wR_factor_ref         0.1517
_refine_ls_wR_factor_gt          0.1447
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_restrained_S_all      1.082
_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
O2 O 0.37496(13) 0.02217(11) 0.39539(7) 0.0456(3) Uani 1 1 d . . . . .
C4 C 0.37781(15) 0.25230(13) 0.59928(9) 0.0294(4) Uani 1 1 d . . . . .
H4 H 0.398710 0.325702 0.620353 0.035 Uiso 1 1 calc R U . . .
O1 O 0.20706(13) -0.10547(10) 0.63165(7) 0.0451(3) Uani 1 1 d . . . . .
N1 N 0.35778(12) 0.19367(11) 0.71943(7) 0.0274(3) Uani 1 1 d . . . . .
N2 N 0.39092(13) 0.31965(11) 0.48084(7) 0.0293(3) Uani 1 1 d . . . . .
C23 C 0.45893(15) 0.24940(13) 0.77450(9) 0.0266(3) Uani 1 1 d . . . . .
C5 C 0.37098(15) 0.23080(13) 0.52468(9) 0.0280(4) Uani 1 1 d . . . . .
C3 C 0.35446(15) 0.16783(13) 0.64384(9) 0.0273(4) Uani 1 1 d . . . . .
C29 C 0.30056(15) 0.21357(13) 0.82569(9) 0.0277(4) Uani 1 1 d . . . . .
C28 C 0.42734(15) 0.26321(13) 0.84116(9) 0.0279(4) Uani 1 1 d . . . . .
C34 C 0.26075(15) 0.17226(13) 0.75007(9) 0.0269(4) Uani 1 1 d . . . . .
C2 C 0.32665(15) 0.05958(13) 0.61439(9) 0.0293(4) Uani 1 1 d . . . . .
C49 C 0.34824(15) 0.46031(13) 0.40886(9) 0.0272(4) Uani 1 1 d . . . . .
C48 C 0.44244(14) 0.41784(13) 0.38840(9) 0.0265(3) Uani 1 1 d . . . . .
C43 C 0.46603(14) 0.33222(13) 0.43356(9) 0.0273(4) Uani 1 1 d . . . . .
C6 C 0.34187(15) 0.12240(13) 0.49377(9) 0.0288(4) Uani 1 1 d . . . . .
C1 C 0.32186(16) 0.03920(14) 0.53962(9) 0.0312(4) Uani 1 1 d . . . . .
H1 H 0.304245 -0.034340 0.519198 0.037 Uiso 1 1 calc R U . . .
C44 C 0.55403(16) 0.27571(14) 0.42834(10) 0.0335(4) Uani 1 1 d . . . . .
H44 H 0.571793 0.218781 0.459981 0.040 Uiso 1 1 calc R U . . .
C7 C 0.29528(16) -0.03342(13) 0.65956(9) 0.0322(4) Uani 1 1 d . . . . .
C54 C 0.31886(15) 0.39838(13) 0.46571(9) 0.0291(4) Uani 1 1 d . . . . .
C15 C 0.32635(16) 0.09219(14) 0.41226(9) 0.0323(4) Uani 1 1 d . . . . .
C24 C 0.57565(16) 0.28816(14) 0.77052(10) 0.0334(4) Uani 1 1 d . . . . .
H24 H 0.597334 0.276424 0.725691 0.040 Uiso 1 1 calc R U . . .
C47 C 0.50406(15) 0.44417(13) 0.33510(9) 0.0287(4) Uani 1 1 d . . . . .
H47 H 0.486109 0.500978 0.303388 0.034 Uiso 1 1 calc R U . . .
C16 C 0.24829(16) 0.14739(14) 0.35434(9) 0.0333(4) Uani 1 1 d . . . . .
C33 C 0.14103(16) 0.12040(14) 0.71736(10) 0.0335(4) Uani 1 1 d . . . . .
H33 H 0.113447 0.093012 0.665981 0.040 Uiso 1 1 calc R U . . .
C50 C 0.28676(16) 0.54191(14) 0.38270(10) 0.0321(4) Uani 1 1 d . . . . .
H50 H 0.306833 0.583964 0.344223 0.038 Uiso 1 1 calc R U . . .
C30 C 0.21951(16) 0.20286(14) 0.86868(9) 0.0321(4) Uani 1 1 d . . . . .
H30 H 0.246471 0.231413 0.919805 0.039 Uiso 1 1 calc R U . . .
C45 C 0.61549(16) 0.30475(14) 0.37547(10) 0.0352(4) Uani 1 1 d . . . . .
H45 H 0.676260 0.266520 0.371412 0.042 Uiso 1 1 calc R U . . .
C8 C 0.37266(17) -0.03724(13) 0.73713(9) 0.0330(4) Uani 1 1 d . . . . .
C53 C 0.22841(17) 0.41674(15) 0.49566(10) 0.0372(4) Uani 1 1 d . . . . .
H53 H 0.207777 0.374216 0.533786 0.045 Uiso 1 1 calc R U . . .
C27 C 0.51424(16) 0.31957(14) 0.90405(9) 0.0334(4) Uani 1 1 d . . . . .
H27 H 0.493593 0.329183 0.949501 0.040 Uiso 1 1 calc R U . . .
C46 C 0.59199(15) 0.38774(13) 0.32792(10) 0.0319(4) Uani 1 1 d . . . . .
C31 C 0.09963(16) 0.15085(14) 0.83756(10) 0.0350(4) Uani 1 1 d . . . . .
C51 C 0.19584(17) 0.56302(14) 0.41217(10) 0.0358(4) Uani 1 1 d . . . . .
C52 C 0.16898(18) 0.49880(15) 0.46846(11) 0.0398(4) Uani 1 1 d . . . . .
H52 H 0.106834 0.512375 0.488918 0.048 Uiso 1 1 calc R U . . .
C25 C 0.65914(16) 0.34433(15) 0.83390(10) 0.0371(4) Uani 1 1 d . . . . .
H25 H 0.739195 0.372220 0.831807 0.044 Uiso 1 1 calc R U . . .
C26 C 0.63094(16) 0.36196(15) 0.90109(10) 0.0364(4) Uani 1 1 d . . . . .
C21 C 0.27778(17) 0.16926(16) 0.28790(10) 0.0395(4) Uani 1 1 d . . . . .
H21 H 0.347592 0.149180 0.279831 0.047 Uiso 1 1 calc R U . . .
C32 C 0.06387(16) 0.11004(15) 0.76175(11) 0.0373(4) Uani 1 1 d . . . . .
H32 H -0.017797 0.073435 0.740105 0.045 Uiso 1 1 calc R U . . .
C9 C 0.31961(19) -0.07675(15) 0.79224(10) 0.0412(4) Uani 1 1 d . . . . .
H9 H 0.234004 -0.096596 0.780980 0.049 Uiso 1 1 calc R U . . .
C13 C 0.49734(18) -0.00750(16) 0.75449(11) 0.0420(5) Uani 1 1 d . . . . .
H13 H 0.534262 0.022394 0.717787 0.050 Uiso 1 1 calc R U . . .
C17 C 0.14556(18) 0.17648(17) 0.36472(10) 0.0440(5) Uani 1 1 d . . . . .
H17 H 0.125572 0.163416 0.410484 0.053 Uiso 1 1 calc R U . . .
C59 C 0.12579(18) 0.65122(16) 0.38069(11) 0.0426(5) Uani 1 1 d . . . . .
C20 C 0.2059(2) 0.22002(18) 0.23378(11) 0.0486(5) Uani 1 1 d . . . . .
H20 H 0.228059 0.236799 0.189125 0.058 Uiso 1 1 calc R U . . .
C55 C 0.65516(18) 0.41414(15) 0.26679(11) 0.0419(5) Uani 1 1 d . . . . .
C39 C 0.00790(18) 0.13432(17) 0.88340(12) 0.0452(5) Uani 1 1 d . . . . .
C10 C 0.3915(2) -0.08702(18) 0.86317(11) 0.0534(6) Uani 1 1 d . . . . .
H10 H 0.354540 -0.111867 0.901016 0.064 Uiso 1 1 calc R U . . .
C19 C 0.1012(2) 0.24726(19) 0.24318(11) 0.0511(5) Uani 1 1 d . . . . .
C58 C 0.6998(2) 0.53740(18) 0.26780(15) 0.0608(7) Uani 1 1 d . . . . .
H58A H 0.754203 0.565287 0.317707 0.091 Uiso 1 1 calc R U . . .
H58B H 0.630410 0.573347 0.256521 0.091 Uiso 1 1 calc R U . . .
H58C H 0.743370 0.552526 0.229832 0.091 Uiso 1 1 calc R U . . .
C18 C 0.0725(2) 0.2241(2) 0.30925(12) 0.0541(6) Uani 1 1 d . . . . .
H18 H 0.000825 0.241321 0.316464 0.065 Uiso 1 1 calc R U . . .
C12 C 0.5682(2) -0.02142(19) 0.82553(12) 0.0541(6) Uani 1 1 d . . . . .
H12 H 0.653894 -0.002876 0.836737 0.065 Uiso 1 1 calc R U . . .
C57 C 0.7658(2) 0.36293(18) 0.27703(15) 0.0595(6) Uani 1 1 d . . . . .
H57A H 0.805253 0.385175 0.237988 0.089 Uiso 1 1 calc R U . . .
H57B H 0.740571 0.283215 0.272919 0.089 Uiso 1 1 calc R U . . .
H57C H 0.822682 0.387462 0.326784 0.089 Uiso 1 1 calc R U . . .
C35 C 0.72555(18) 0.4239(2) 0.97083(12) 0.0543(6) Uani 1 1 d . . . . .
C61 C 0.0538(2) 0.61510(19) 0.29817(14) 0.0599(6) Uani 1 1 d . . . . .
H61A H 0.005112 0.668839 0.277889 0.090 Uiso 1 1 calc R U . . .
H61B H 0.000434 0.543758 0.295588 0.090 Uiso 1 1 calc R U . . .
H61C H 0.110111 0.609698 0.268478 0.090 Uiso 1 1 calc R U . . .
C37 C 0.6754(2) 0.5091(2) 1.00495(14) 0.0668(7) Uani 1 1 d . . . . .
H37A H 0.602783 0.473572 1.018147 0.100 Uiso 1 1 calc R U . . .
H37B H 0.654631 0.562735 0.968387 0.100 Uiso 1 1 calc R U . . .
H37C H 0.736519 0.546070 1.050366 0.100 Uiso 1 1 calc R U . . .
C11 C 0.5161(2) -0.06196(19) 0.88043(11) 0.0568(6) Uani 1 1 d . . . . .
C62 C 0.2119(2) 0.75905(17) 0.38203(15) 0.0621(6) Uani 1 1 d . . . . .
H62A H 0.266822 0.749264 0.352182 0.093 Uiso 1 1 calc R U . . .
H62B H 0.259154 0.783632 0.434110 0.093 Uiso 1 1 calc R U . . .
H62C H 0.165432 0.813811 0.360676 0.093 Uiso 1 1 calc R U . . .
C40 C -0.0253(3) 0.0141(2) 0.89379(15) 0.0722(7) Uani 1 1 d . . . . .
H40A H 0.047618 -0.011667 0.920476 0.108 Uiso 1 1 calc R U . . .
H40B H -0.061349 -0.026693 0.844427 0.108 Uiso 1 1 calc R U . . .
H40C H -0.083706 0.002606 0.923214 0.108 Uiso 1 1 calc R U . . .
C42 C 0.0600(2) 0.1942(2) 0.96181(14) 0.0688(7) Uani 1 1 d . . . . .
H42A H -0.001213 0.181649 0.989159 0.103 Uiso 1 1 calc R U . . .
H42B H 0.083525 0.272630 0.957134 0.103 Uiso 1 1 calc R U . . .
H42C H 0.131243 0.166765 0.989418 0.103 Uiso 1 1 calc R U . . .
C22 C 0.0217(3) 0.3008(3) 0.18287(14) 0.0839(9) Uani 1 1 d . . . . .
H22A H 0.044698 0.380213 0.193492 0.126 Uiso 1 1 calc R U . . .
H22B H -0.063041 0.275814 0.182001 0.126 Uiso 1 1 calc R U . . .
H22C H 0.031682 0.281079 0.133834 0.126 Uiso 1 1 calc R U . . .
C56 C 0.5639(3) 0.3714(3) 0.19091(14) 0.0844(9) Uani 1 1 d . . . . .
H56A H 0.495163 0.407990 0.182738 0.127 Uiso 1 1 calc R U . . .
H56B H 0.535106 0.292518 0.190611 0.127 Uiso 1 1 calc R U . . .
H56C H 0.602712 0.386271 0.150664 0.127 Uiso 1 1 calc R U . . .
C41 C -0.1049(3) 0.1752(3) 0.84269(18) 0.0962(11) Uani 1 1 d . . . . .
H41A H -0.144328 0.132053 0.794470 0.144 Uiso 1 1 calc R U . . .
H41B H -0.082267 0.252188 0.833608 0.144 Uiso 1 1 calc R U . . .
H41C H -0.160958 0.167872 0.873738 0.144 Uiso 1 1 calc R U . . .
C14 C 0.5947(3) -0.0814(3) 0.95682(14) 0.0959(11) Uani 1 1 d . . . . .
H14A H 0.545015 -0.095891 0.991583 0.144 Uiso 1 1 calc R U . . .
H14B H 0.658802 -0.016584 0.976459 0.144 Uiso 1 1 calc R U . . .
H14C H 0.631141 -0.144382 0.951826 0.144 Uiso 1 1 calc R U . . .
C60 C 0.0348(3) 0.6667(3) 0.42241(18) 0.0887(10) Uani 1 1 d . . . . .
H60A H -0.013370 0.718280 0.397269 0.133 Uiso 1 1 calc R U . . .
H60B H 0.077775 0.695481 0.474405 0.133 Uiso 1 1 calc R U . . .
H60C H -0.018866 0.596364 0.422486 0.133 Uiso 1 1 calc R U . . .
C38 C 0.7550(4) 0.3418(3) 1.03057(17) 0.1169(14) Uani 1 1 d . . . . .
H38A H 0.811783 0.380631 1.076916 0.175 Uiso 1 1 calc R U . . .
H38B H 0.791670 0.287239 1.011665 0.175 Uiso 1 1 calc R U . . .
H38C H 0.680356 0.305431 1.041124 0.175 Uiso 1 1 calc R U . . .
C36 C 0.8394(3) 0.4790(4) 0.9543(2) 0.138(2) Uani 1 1 d . . . . .
H36A H 0.820784 0.532045 0.916942 0.207 Uiso 1 1 calc R U . . .
H36B H 0.874830 0.424266 0.934493 0.207 Uiso 1 1 calc R U . . .
H36C H 0.897060 0.516734 1.000718 0.207 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
O2 C15 1.212(2) . ?
C4 C5 1.380(2) . ?
C4 C3 1.388(2) . ?
C4 H4 0.9500 . ?
O1 C7 1.217(2) . ?
N1 C23 1.387(2) . ?
N1 C34 1.393(2) . ?
N1 C3 1.419(2) . ?
N2 C43 1.397(2) . ?
N2 C54 1.402(2) . ?
N2 C5 1.413(2) . ?
C23 C24 1.387(3) . ?
C23 C28 1.401(2) . ?
C5 C6 1.403(2) . ?
C3 C2 1.393(2) . ?
C29 C30 1.390(2) . ?
C29 C34 1.402(2) . ?
C29 C28 1.445(2) . ?
C28 C27 1.389(2) . ?
C34 C33 1.389(2) . ?
C2 C1 1.387(2) . ?
C2 C7 1.497(2) . ?
C49 C50 1.382(2) . ?
C49 C54 1.401(2) . ?
C49 C48 1.448(2) . ?
C48 C47 1.388(2) . ?
C48 C43 1.396(2) . ?
C43 C44 1.382(2) . ?
C6 C1 1.384(2) . ?
C6 C15 1.502(2) . ?
C1 H1 0.9500 . ?
C44 C45 1.385(3) . ?
C44 H44 0.9500 . ?
C7 C8 1.481(3) . ?
C54 C53 1.379(2) . ?
C15 C16 1.484(3) . ?
C24 C25 1.379(3) . ?
C24 H24 0.9500 . ?
C47 C46 1.390(2) . ?
C47 H47 0.9500 . ?
C16 C17 1.385(3) . ?
C16 C21 1.387(3) . ?
C33 C32 1.373(3) . ?
C33 H33 0.9500 . ?
C50 C51 1.390(2) . ?
C50 H50 0.9500 . ?
C30 C31 1.387(3) . ?
C30 H30 0.9500 . ?
C45 C46 1.395(3) . ?
C45 H45 0.9500 . ?
C8 C13 1.383(3) . ?
C8 C9 1.390(3) . ?
C53 C52 1.378(3) . ?
C53 H53 0.9500 . ?
C27 C26 1.388(3) . ?
C27 H27 0.9500 . ?
C46 C55 1.526(3) . ?
C31 C32 1.405(3) . ?
C31 C39 1.534(3) . ?
C51 C52 1.398(3) . ?
C51 C59 1.532(3) . ?
C52 H52 0.9500 . ?
C25 C26 1.397(3) . ?
C25 H25 0.9500 . ?
C26 C35 1.530(3) . ?
C21 C20 1.374(3) . ?
C21 H21 0.9500 . ?
C32 H32 0.9500 . ?
C9 C10 1.376(3) . ?
C9 H9 0.9500 . ?
C13 C12 1.385(3) . ?
C13 H13 0.9500 . ?
C17 C18 1.372(3) . ?
C17 H17 0.9500 . ?
C59 C60 1.519(3) . ?
C59 C62 1.519(3) . ?
C59 C61 1.539(3) . ?
C20 C19 1.390(3) . ?
C20 H20 0.9500 . ?
C55 C57 1.524(3) . ?
C55 C56 1.526(3) . ?
C55 C58 1.530(3) . ?
C39 C40 1.511(3) . ?
C39 C41 1.521(3) . ?
C39 C42 1.528(3) . ?
C10 C11 1.380(4) . ?
C10 H10 0.9500 . ?
C19 C18 1.380(3) . ?
C19 C22 1.505(3) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C18 H18 0.9500 . ?
C12 C11 1.384(3) . ?
C12 H12 0.9500 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C35 C36 1.496(4) . ?
C35 C37 1.516(3) . ?
C35 C38 1.541(4) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C11 C14 1.515(3) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 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
C5 C4 C3 120.72(15) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C23 N1 C34 108.59(13) . . ?
C23 N1 C3 124.87(14) . . ?
C34 N1 C3 126.49(13) . . ?
C43 N2 C54 107.94(13) . . ?
C43 N2 C5 126.62(13) . . ?
C54 N2 C5 124.22(14) . . ?
C24 C23 N1 129.65(15) . . ?
C24 C23 C28 121.47(15) . . ?
N1 C23 C28 108.89(14) . . ?
C4 C5 C6 119.71(15) . . ?
C4 C5 N2 118.62(15) . . ?
C6 C5 N2 121.65(14) . . ?
C4 C3 C2 120.42(15) . . ?
C4 C3 N1 118.91(14) . . ?
C2 C3 N1 120.67(14) . . ?
C30 C29 C34 119.82(15) . . ?
C30 C29 C28 133.48(15) . . ?
C34 C29 C28 106.69(14) . . ?
C27 C28 C23 119.15(16) . . ?
C27 C28 C29 133.83(15) . . ?
C23 C28 C29 106.99(14) . . ?
C33 C34 N1 130.35(15) . . ?
C33 C34 C29 120.81(15) . . ?
N1 C34 C29 108.84(14) . . ?
C1 C2 C3 118.19(15) . . ?
C1 C2 C7 119.76(15) . . ?
C3 C2 C7 121.95(15) . . ?
C50 C49 C54 119.74(15) . . ?
C50 C49 C48 133.27(15) . . ?
C54 C49 C48 106.96(14) . . ?
C47 C48 C43 120.00(15) . . ?
C47 C48 C49 133.07(15) . . ?
C43 C48 C49 106.91(14) . . ?
C44 C43 N2 129.74(15) . . ?
C44 C43 C48 120.94(15) . . ?
N2 C43 C48 109.31(14) . . ?
C1 C6 C5 118.70(15) . . ?
C1 C6 C15 118.20(15) . . ?
C5 C6 C15 123.05(15) . . ?
C6 C1 C2 122.23(15) . . ?
C6 C1 H1 118.9 . . ?
C2 C1 H1 118.9 . . ?
C43 C44 C45 117.84(16) . . ?
C43 C44 H44 121.1 . . ?
C45 C44 H44 121.1 . . ?
O1 C7 C8 120.94(16) . . ?
O1 C7 C2 119.41(16) . . ?
C8 C7 C2 119.65(15) . . ?
C53 C54 C49 121.05(16) . . ?
C53 C54 N2 130.03(15) . . ?
C49 C54 N2 108.88(14) . . ?
O2 C15 C16 121.80(15) . . ?
O2 C15 C6 119.68(16) . . ?
C16 C15 C6 118.49(14) . . ?
C25 C24 C23 117.67(16) . . ?
C25 C24 H24 121.2 . . ?
C23 C24 H24 121.2 . . ?
C48 C47 C46 120.27(16) . . ?
C48 C47 H47 119.9 . . ?
C46 C47 H47 119.9 . . ?
C17 C16 C21 119.13(17) . . ?
C17 C16 C15 121.43(16) . . ?
C21 C16 C15 119.44(16) . . ?
C32 C33 C34 117.79(16) . . ?
C32 C33 H33 121.1 . . ?
C34 C33 H33 121.1 . . ?
C49 C50 C51 120.60(15) . . ?
C49 C50 H50 119.7 . . ?
C51 C50 H50 119.7 . . ?
C31 C30 C29 120.57(16) . . ?
C31 C30 H30 119.7 . . ?
C29 C30 H30 119.7 . . ?
C44 C45 C46 122.81(16) . . ?
C44 C45 H45 118.6 . . ?
C46 C45 H45 118.6 . . ?
C13 C8 C9 119.52(17) . . ?
C13 C8 C7 120.90(16) . . ?
C9 C8 C7 119.50(17) . . ?
C52 C53 C54 117.79(16) . . ?
C52 C53 H53 121.1 . . ?
C54 C53 H53 121.1 . . ?
C26 C27 C28 120.64(16) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 H27 119.7 . . ?
C47 C46 C45 118.09(16) . . ?
C47 C46 C55 119.71(16) . . ?
C45 C46 C55 122.14(16) . . ?
C30 C31 C32 117.71(16) . . ?
C30 C31 C39 122.39(17) . . ?
C32 C31 C39 119.89(17) . . ?
C50 C51 C52 117.74(16) . . ?
C50 C51 C59 119.89(15) . . ?
C52 C51 C59 122.33(16) . . ?
C53 C52 C51 123.08(17) . . ?
C53 C52 H52 118.5 . . ?
C51 C52 H52 118.5 . . ?
C24 C25 C26 122.76(17) . . ?
C24 C25 H25 118.6 . . ?
C26 C25 H25 118.6 . . ?
C27 C26 C25 118.27(16) . . ?
C27 C26 C35 119.99(17) . . ?
C25 C26 C35 121.73(17) . . ?
C20 C21 C16 119.91(18) . . ?
C20 C21 H21 120.0 . . ?
C16 C21 H21 120.0 . . ?
C33 C32 C31 123.30(17) . . ?
C33 C32 H32 118.4 . . ?
C31 C32 H32 118.4 . . ?
C10 C9 C8 119.8(2) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C8 C13 C12 119.82(19) . . ?
C8 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C18 C17 C16 120.38(18) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C60 C59 C62 110.1(2) . . ?
C60 C59 C51 112.38(16) . . ?
C62 C59 C51 110.81(17) . . ?
C60 C59 C61 107.0(2) . . ?
C62 C59 C61 107.95(18) . . ?
C51 C59 C61 108.37(16) . . ?
C21 C20 C19 121.20(19) . . ?
C21 C20 H20 119.4 . . ?
C19 C20 H20 119.4 . . ?
C57 C55 C46 112.65(17) . . ?
C57 C55 C56 109.39(19) . . ?
C46 C55 C56 107.86(17) . . ?
C57 C55 C58 106.54(17) . . ?
C46 C55 C58 110.64(15) . . ?
C56 C55 C58 109.7(2) . . ?
C40 C39 C41 109.8(2) . . ?
C40 C39 C42 107.32(19) . . ?
C41 C39 C42 108.5(2) . . ?
C40 C39 C31 108.79(18) . . ?
C41 C39 C31 110.24(17) . . ?
C42 C39 C31 112.04(17) . . ?
C9 C10 C11 121.3(2) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 H10 119.3 . . ?
C18 C19 C20 118.22(19) . . ?
C18 C19 C22 121.0(2) . . ?
C20 C19 C22 120.8(2) . . ?
C55 C58 H58A 109.5 . . ?
C55 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C55 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C17 C18 C19 121.1(2) . . ?
C17 C18 H18 119.4 . . ?
C19 C18 H18 119.4 . . ?
C11 C12 C13 120.9(2) . . ?
C11 C12 H12 119.5 . . ?
C13 C12 H12 119.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C36 C35 C37 108.6(2) . . ?
C36 C35 C26 112.7(2) . . ?
C37 C35 C26 110.89(17) . . ?
C36 C35 C38 109.5(3) . . ?
C37 C35 C38 106.8(2) . . ?
C26 C35 C38 108.1(2) . . ?
C59 C61 H61A 109.5 . . ?
C59 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C59 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C10 C11 C12 118.51(19) . . ?
C10 C11 C14 121.1(2) . . ?
C12 C11 C14 120.4(3) . . ?
C59 C62 H62A 109.5 . . ?
C59 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C59 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C42 H42A 109.5 . . ?
C39 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C39 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 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
C34 N1 C23 C24 -179.76(16) . . . . ?
C3 N1 C23 C24 -2.3(3) . . . . ?
C34 N1 C23 C28 0.50(17) . . . . ?
C3 N1 C23 C28 177.99(14) . . . . ?
C3 C4 C5 C6 -0.9(3) . . . . ?
C3 C4 C5 N2 177.58(15) . . . . ?
C43 N2 C5 C4 132.21(17) . . . . ?
C54 N2 C5 C4 -62.0(2) . . . . ?
C43 N2 C5 C6 -49.3(2) . . . . ?
C54 N2 C5 C6 116.52(18) . . . . ?
C5 C4 C3 C2 1.6(3) . . . . ?
C5 C4 C3 N1 -177.53(15) . . . . ?
C23 N1 C3 C4 -61.6(2) . . . . ?
C34 N1 C3 C4 115.46(18) . . . . ?
C23 N1 C3 C2 119.28(18) . . . . ?
C34 N1 C3 C2 -63.7(2) . . . . ?
C24 C23 C28 C27 1.7(2) . . . . ?
N1 C23 C28 C27 -178.50(15) . . . . ?
C24 C23 C28 C29 -179.90(15) . . . . ?
N1 C23 C28 C29 -0.13(17) . . . . ?
C30 C29 C28 C27 -1.0(3) . . . . ?
C34 C29 C28 C27 177.75(18) . . . . ?
C30 C29 C28 C23 -179.06(17) . . . . ?
C34 C29 C28 C23 -0.28(17) . . . . ?
C23 N1 C34 C33 178.96(16) . . . . ?
C3 N1 C34 C33 1.5(3) . . . . ?
C23 N1 C34 C29 -0.68(17) . . . . ?
C3 N1 C34 C29 -178.12(14) . . . . ?
C30 C29 C34 C33 -0.1(2) . . . . ?
C28 C29 C34 C33 -179.09(15) . . . . ?
C30 C29 C34 N1 179.57(14) . . . . ?
C28 C29 C34 N1 0.59(17) . . . . ?
C4 C3 C2 C1 -0.7(2) . . . . ?
N1 C3 C2 C1 178.48(15) . . . . ?
C4 C3 C2 C7 -177.08(15) . . . . ?
N1 C3 C2 C7 2.1(2) . . . . ?
C50 C49 C48 C47 -0.1(3) . . . . ?
C54 C49 C48 C47 178.10(17) . . . . ?
C50 C49 C48 C43 -178.20(18) . . . . ?
C54 C49 C48 C43 0.02(18) . . . . ?
C54 N2 C43 C44 178.64(17) . . . . ?
C5 N2 C43 C44 -13.6(3) . . . . ?
C54 N2 C43 C48 -0.13(18) . . . . ?
C5 N2 C43 C48 167.59(15) . . . . ?
C47 C48 C43 C44 2.8(2) . . . . ?
C49 C48 C43 C44 -178.83(15) . . . . ?
C47 C48 C43 N2 -178.31(14) . . . . ?
C49 C48 C43 N2 0.07(17) . . . . ?
C4 C5 C6 C1 -0.7(2) . . . . ?
N2 C5 C6 C1 -179.14(15) . . . . ?
C4 C5 C6 C15 176.77(16) . . . . ?
N2 C5 C6 C15 -1.7(3) . . . . ?
C5 C6 C1 C2 1.7(3) . . . . ?
C15 C6 C1 C2 -175.91(16) . . . . ?
C3 C2 C1 C6 -1.0(3) . . . . ?
C7 C2 C1 C6 175.51(16) . . . . ?
N2 C43 C44 C45 179.58(16) . . . . ?
C48 C43 C44 C45 -1.8(2) . . . . ?
C1 C2 C7 O1 -43.7(2) . . . . ?
C3 C2 C7 O1 132.65(18) . . . . ?
C1 C2 C7 C8 135.54(17) . . . . ?
C3 C2 C7 C8 -48.1(2) . . . . ?
C50 C49 C54 C53 0.7(2) . . . . ?
C48 C49 C54 C53 -177.85(15) . . . . ?
C50 C49 C54 N2 178.41(14) . . . . ?
C48 C49 C54 N2 -0.11(18) . . . . ?
C43 N2 C54 C53 177.63(17) . . . . ?
C5 N2 C54 C53 9.5(3) . . . . ?
C43 N2 C54 C49 0.15(18) . . . . ?
C5 N2 C54 C49 -167.94(14) . . . . ?
C1 C6 C15 O2 -49.5(2) . . . . ?
C5 C6 C15 O2 133.07(19) . . . . ?
C1 C6 C15 C16 128.77(17) . . . . ?
C5 C6 C15 C16 -48.7(2) . . . . ?
N1 C23 C24 C25 178.12(16) . . . . ?
C28 C23 C24 C25 -2.2(2) . . . . ?
C43 C48 C47 C46 -1.9(2) . . . . ?
C49 C48 C47 C46 -179.80(16) . . . . ?
O2 C15 C16 C17 143.34(19) . . . . ?
C6 C15 C16 C17 -34.9(2) . . . . ?
O2 C15 C16 C21 -35.9(3) . . . . ?
C6 C15 C16 C21 145.92(17) . . . . ?
N1 C34 C33 C32 179.68(16) . . . . ?
C29 C34 C33 C32 -0.7(2) . . . . ?
C54 C49 C50 C51 -0.1(3) . . . . ?
C48 C49 C50 C51 177.93(17) . . . . ?
C34 C29 C30 C31 0.5(2) . . . . ?
C28 C29 C30 C31 179.16(17) . . . . ?
C43 C44 C45 C46 -0.1(3) . . . . ?
O1 C7 C8 C13 139.17(18) . . . . ?
C2 C7 C8 C13 -40.1(2) . . . . ?
O1 C7 C8 C9 -37.4(2) . . . . ?
C2 C7 C8 C9 143.36(17) . . . . ?
C49 C54 C53 C52 -0.8(3) . . . . ?
N2 C54 C53 C52 -177.97(17) . . . . ?
C23 C28 C27 C26 0.1(3) . . . . ?
C29 C28 C27 C26 -177.73(18) . . . . ?
C48 C47 C46 C45 0.1(2) . . . . ?
C48 C47 C46 C55 177.33(15) . . . . ?
C44 C45 C46 C47 0.9(3) . . . . ?
C44 C45 C46 C55 -176.24(17) . . . . ?
C29 C30 C31 C32 -0.1(3) . . . . ?
C29 C30 C31 C39 178.25(16) . . . . ?
C49 C50 C51 C52 -0.3(3) . . . . ?
C49 C50 C51 C59 -177.97(17) . . . . ?
C54 C53 C52 C51 0.3(3) . . . . ?
C50 C51 C52 C53 0.2(3) . . . . ?
C59 C51 C52 C53 177.80(19) . . . . ?
C23 C24 C25 C26 0.8(3) . . . . ?
C28 C27 C26 C25 -1.4(3) . . . . ?
C28 C27 C26 C35 179.94(18) . . . . ?
C24 C25 C26 C27 0.9(3) . . . . ?
C24 C25 C26 C35 179.57(19) . . . . ?
C17 C16 C21 C20 0.6(3) . . . . ?
C15 C16 C21 C20 179.78(17) . . . . ?
C34 C33 C32 C31 1.2(3) . . . . ?
C30 C31 C32 C33 -0.8(3) . . . . ?
C39 C31 C32 C33 -179.17(17) . . . . ?
C13 C8 C9 C10 -0.7(3) . . . . ?
C7 C8 C9 C10 175.88(16) . . . . ?
C9 C8 C13 C12 2.6(3) . . . . ?
C7 C8 C13 C12 -173.95(17) . . . . ?
C21 C16 C17 C18 1.5(3) . . . . ?
C15 C16 C17 C18 -177.74(19) . . . . ?
C50 C51 C59 C60 -177.0(2) . . . . ?
C52 C51 C59 C60 5.4(3) . . . . ?
C50 C51 C59 C62 -53.4(2) . . . . ?
C52 C51 C59 C62 129.0(2) . . . . ?
C50 C51 C59 C61 64.9(2) . . . . ?
C52 C51 C59 C61 -112.7(2) . . . . ?
C16 C21 C20 C19 -2.0(3) . . . . ?
C47 C46 C55 C57 167.97(17) . . . . ?
C45 C46 C55 C57 -14.9(3) . . . . ?
C47 C46 C55 C56 -71.2(2) . . . . ?
C45 C46 C55 C56 105.9(2) . . . . ?
C47 C46 C55 C58 48.8(2) . . . . ?
C45 C46 C55 C58 -134.1(2) . . . . ?
C30 C31 C39 C40 -111.0(2) . . . . ?
C32 C31 C39 C40 67.3(2) . . . . ?
C30 C31 C39 C41 128.5(2) . . . . ?
C32 C31 C39 C41 -53.2(3) . . . . ?
C30 C31 C39 C42 7.5(3) . . . . ?
C32 C31 C39 C42 -174.19(19) . . . . ?
C8 C9 C10 C11 -2.0(3) . . . . ?
C21 C20 C19 C18 1.3(3) . . . . ?
C21 C20 C19 C22 -178.7(2) . . . . ?
C16 C17 C18 C19 -2.1(3) . . . . ?
C20 C19 C18 C17 0.7(4) . . . . ?
C22 C19 C18 C17 -179.2(2) . . . . ?
C8 C13 C12 C11 -1.8(3) . . . . ?
C27 C26 C35 C36 -170.7(3) . . . . ?
C25 C26 C35 C36 10.6(4) . . . . ?
C27 C26 C35 C37 -48.7(3) . . . . ?
C25 C26 C35 C37 132.7(2) . . . . ?
C27 C26 C35 C38 68.1(3) . . . . ?
C25 C26 C35 C38 -110.5(3) . . . . ?
C9 C10 C11 C12 2.8(3) . . . . ?
C9 C10 C11 C14 -175.4(2) . . . . ?
C13 C12 C11 C10 -0.8(3) . . . . ?
C13 C12 C11 C14 177.3(2) . . . . ?

_refine_diff_density_max         0.436
_refine_diff_density_min         -0.331
_refine_diff_density_rms         0.060




