# Electronic Supplementary Material (ESI) for ChemComm.
# 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_D21256_5
_database_code_depnum_ccdc_archive 'CCDC 2098148'
loop_
_audit_author_name
_audit_author_address
'Jonathan Becker'
;Justus Liebig University Giessen
Germany
;
_audit_update_record             
;
2021-07-21 deposited with the CCDC.	2021-12-23 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            'C25 H36 Au Cl N2 O'
_chemical_formula_weight         612.97

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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                   13.6464(10)
_cell_length_b                   15.4879(12)
_cell_length_c                   11.0636(8)
_cell_angle_alpha                90
_cell_angle_beta                 108.520(2)
_cell_angle_gamma                90
_cell_volume                     2217.2(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9841
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      30.50

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.836
_exptl_crystal_F_000             1216
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.177
_exptl_crystal_size_mid          0.172
_exptl_crystal_size_min          0.053
_exptl_absorpt_coefficient_mu    6.776
_shelx_estimated_absorpt_T_min   0.380
_shelx_estimated_absorpt_T_max   0.715
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.408688
_exptl_absorpt_correction_T_max  0.746071
_exptl_absorpt_process_details   'SADABS 2016/2(Sheldrick, 2016)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   
'I\mS micro-focus sealed tube, multilayer optics'
_diffrn_measurement_device_type  'Bruker PHOTON100'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            6746
_diffrn_reflns_av_unetI/netI     0.0708
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.345
_diffrn_reflns_theta_max         30.616
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6746
_reflns_number_gt                5181
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 _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. Completness statistics refer to single and 
 composite reflections containing twin component 1 only. 
;

_computing_data_collection       'APEX3 v2019.1-0 (Bruker-AXS, 2017)'
_computing_cell_refinement       'SAINT 8.40A (Bruker-AXS, 2017)'
_computing_data_reduction        'SAINT 8.40A (Bruker-AXS, 2017)'
_computing_structure_solution    'SHELXT-2015 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          'Refined as a 2-component twin.,Twin'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0409P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6746
_refine_ls_number_parameters     274
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0730
_refine_ls_R_factor_gt           0.0418
_refine_ls_wR_factor_ref         0.0821
_refine_ls_wR_factor_gt          0.0739
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.002
_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
Au1 Au 0.51980(2) 0.64800(2) 0.53021(2) 0.01583(6) Uani 1 1 d . . . . .
Cl1 Cl 0.52115(12) 0.74498(9) 0.37514(12) 0.0215(3) Uani 1 1 d . . . . .
O1 O 0.7025(3) 0.5308(2) 0.7111(4) 0.0180(8) Uani 1 1 d . . . . .
N1 N 0.6070(4) 0.5164(3) 0.7263(5) 0.0169(10) Uani 1 1 d . . . . .
N2 N 0.4475(4) 0.5267(3) 0.7093(5) 0.0184(11) Uani 1 1 d . . . . .
C1 C 0.5209(5) 0.5613(3) 0.6653(5) 0.0174(10) Uani 1 1 d . . . . .
C2 C 0.5906(5) 0.4508(4) 0.8011(6) 0.0200(13) Uani 1 1 d . . . . .
C3 C 0.4917(5) 0.4566(3) 0.7936(5) 0.0174(12) Uani 1 1 d . . . . .
C4 C 0.6695(5) 0.3840(4) 0.8626(6) 0.0220(13) Uani 1 1 d . . . . .
H4A H 0.674378 0.378151 0.952533 0.033 Uiso 1 1 calc R U . . .
H4B H 0.736784 0.401460 0.856439 0.033 Uiso 1 1 calc R U . . .
H4C H 0.649180 0.328553 0.819236 0.033 Uiso 1 1 calc R U . . .
C5 C 0.4384(5) 0.3993(4) 0.8627(6) 0.0264(14) Uani 1 1 d . . . . .
H5A H 0.468231 0.341195 0.870481 0.040 Uiso 1 1 calc R U . . .
H5B H 0.364511 0.396445 0.814841 0.040 Uiso 1 1 calc R U . . .
H5C H 0.447765 0.422828 0.947848 0.040 Uiso 1 1 calc R U . . .
C11 C 0.7699(5) 0.5926(4) 0.8049(6) 0.0181(12) Uani 1 1 d . . . . .
C12 C 0.7497(5) 0.5968(4) 0.9323(6) 0.0213(13) Uani 1 1 d . . . . .
H12A H 0.755170 0.538342 0.970188 0.026 Uiso 1 1 calc R U . . .
H12B H 0.679186 0.619009 0.920059 0.026 Uiso 1 1 calc R U . . .
C13 C 0.8294(5) 0.6565(4) 1.0203(6) 0.0209(13) Uani 1 1 d . . . . .
H13 H 0.817577 0.659658 1.104864 0.025 Uiso 1 1 calc R U . . .
C14 C 0.9382(5) 0.6225(4) 1.0385(7) 0.0268(15) Uani 1 1 d . . . . .
H14A H 0.989655 0.660893 1.097280 0.032 Uiso 1 1 calc R U . . .
H14B H 0.945737 0.564111 1.076883 0.032 Uiso 1 1 calc R U . . .
C15 C 0.9580(5) 0.6185(4) 0.9105(7) 0.0294(15) Uani 1 1 d . . . . .
H15 H 1.029126 0.595781 0.922755 0.035 Uiso 1 1 calc R U . . .
C16 C 0.8772(5) 0.5587(4) 0.8196(6) 0.0251(13) Uani 1 1 d . . . . .
H16A H 0.888283 0.556926 0.735382 0.030 Uiso 1 1 calc R U . . .
H16B H 0.884680 0.499334 0.854468 0.030 Uiso 1 1 calc R U . . .
C17 C 0.7569(5) 0.6835(4) 0.7445(6) 0.0210(13) Uani 1 1 d . . . . .
H17A H 0.686611 0.705816 0.733477 0.025 Uiso 1 1 calc R U . . .
H17B H 0.766964 0.681157 0.659755 0.025 Uiso 1 1 calc R U . . .
C18 C 0.8389(5) 0.7430(4) 0.8349(6) 0.0225(14) Uani 1 1 d . . . . .
H18 H 0.832291 0.802179 0.797155 0.027 Uiso 1 1 calc R U . . .
C19 C 0.8202(5) 0.7477(4) 0.9617(6) 0.0244(13) Uani 1 1 d . . . . .
H19A H 0.750387 0.771269 0.950116 0.029 Uiso 1 1 calc R U . . .
H19B H 0.871551 0.786618 1.019610 0.029 Uiso 1 1 calc R U . . .
C20 C 0.9466(5) 0.7084(4) 0.8505(7) 0.0273(14) Uani 1 1 d . . . . .
H20A H 0.999292 0.747679 0.905518 0.033 Uiso 1 1 calc R U . . .
H20B H 0.957503 0.705200 0.766238 0.033 Uiso 1 1 calc R U . . .
C21 C 0.3357(4) 0.5529(4) 0.6720(6) 0.0163(11) Uani 1 1 d . . . . .
C22 C 0.2673(5) 0.4810(4) 0.5955(6) 0.0181(12) Uani 1 1 d . . . . .
H22A H 0.280390 0.426855 0.645692 0.022 Uiso 1 1 calc R U . . .
H22B H 0.283873 0.470823 0.515836 0.022 Uiso 1 1 calc R U . . .
C23 C 0.1529(5) 0.5069(4) 0.5636(6) 0.0211(13) Uani 1 1 d . . . . .
H23 H 0.107991 0.459092 0.515460 0.025 Uiso 1 1 calc R U . . .
C24 C 0.1286(5) 0.5240(4) 0.6877(6) 0.0256(14) Uani 1 1 d . . . . .
H24A H 0.142675 0.471241 0.740994 0.031 Uiso 1 1 calc R U . . .
H24B H 0.054562 0.538556 0.667761 0.031 Uiso 1 1 calc R U . . .
C25 C 0.1952(5) 0.5988(4) 0.7614(6) 0.0228(13) Uani 1 1 d . . . . .
H25 H 0.178027 0.609955 0.841414 0.027 Uiso 1 1 calc R U . . .
C26 C 0.3100(4) 0.5751(4) 0.7951(6) 0.0187(12) Uani 1 1 d . . . . .
H26A H 0.325577 0.524836 0.853452 0.022 Uiso 1 1 calc R U . . .
H26B H 0.353183 0.624179 0.839103 0.022 Uiso 1 1 calc R U . . .
C27 C 0.3150(5) 0.6354(3) 0.5897(6) 0.0187(12) Uani 1 1 d . . . . .
H27A H 0.359414 0.682838 0.637005 0.022 Uiso 1 1 calc R U . . .
H27B H 0.332295 0.624895 0.510524 0.022 Uiso 1 1 calc R U . . .
C28 C 0.2014(5) 0.6613(4) 0.5562(6) 0.0208(13) Uani 1 1 d . . . . .
H28 H 0.189115 0.714370 0.502003 0.025 Uiso 1 1 calc R U . . .
C29 C 0.1324(5) 0.5889(4) 0.4819(6) 0.0235(13) Uani 1 1 d . . . . .
H29A H 0.147481 0.578167 0.401366 0.028 Uiso 1 1 calc R U . . .
H29B H 0.058900 0.605775 0.460547 0.028 Uiso 1 1 calc R U . . .
C30 C 0.1736(5) 0.6805(4) 0.6780(6) 0.0242(14) Uani 1 1 d . . . . .
H30A H 0.215761 0.729218 0.724909 0.029 Uiso 1 1 calc R U . . .
H30B H 0.099750 0.696577 0.655535 0.029 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
Au1 C1 2.005(5) . ?
Au1 Cl1 2.2847(13) . ?
O1 N1 1.385(6) . ?
O1 C11 1.495(7) . ?
N1 C1 1.348(8) . ?
N1 C2 1.373(7) . ?
N2 C1 1.356(8) . ?
N2 C3 1.434(7) . ?
N2 C21 1.504(7) . ?
C2 C3 1.329(9) . ?
C2 C4 1.493(8) . ?
C3 C5 1.501(8) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C11 C16 1.515(8) . ?
C11 C12 1.521(8) . ?
C11 C17 1.544(8) . ?
C12 C13 1.522(8) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.527(9) . ?
C13 C19 1.543(9) . ?
C13 H13 1.0000 . ?
C14 C15 1.525(10) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C20 1.529(9) . ?
C15 C16 1.542(9) . ?
C15 H15 1.0000 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.546(8) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.505(8) . ?
C18 C20 1.523(9) . ?
C18 H18 1.0000 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.524(8) . ?
C21 C27 1.542(8) . ?
C21 C26 1.549(8) . ?
C22 C23 1.541(9) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C29 1.532(8) . ?
C23 C24 1.534(9) . ?
C23 H23 1.0000 . ?
C24 C25 1.537(8) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.535(8) . ?
C25 C30 1.539(9) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.529(9) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.524(8) . ?
C28 C30 1.540(9) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?

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
C1 Au1 Cl1 178.76(17) . . ?
N1 O1 C11 114.4(4) . . ?
C1 N1 C2 113.6(5) . . ?
C1 N1 O1 124.1(5) . . ?
C2 N1 O1 122.2(5) . . ?
C1 N2 C3 109.1(5) . . ?
C1 N2 C21 126.5(5) . . ?
C3 N2 C21 124.3(5) . . ?
N1 C1 N2 104.0(4) . . ?
N1 C1 Au1 121.2(4) . . ?
N2 C1 Au1 134.5(5) . . ?
C3 C2 N1 105.6(5) . . ?
C3 C2 C4 130.3(5) . . ?
N1 C2 C4 123.7(6) . . ?
C2 C3 N2 107.5(5) . . ?
C2 C3 C5 125.1(5) . . ?
N2 C3 C5 127.4(6) . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
O1 C11 C16 102.3(4) . . ?
O1 C11 C12 114.7(5) . . ?
C16 C11 C12 111.7(5) . . ?
O1 C11 C17 108.8(5) . . ?
C16 C11 C17 109.7(5) . . ?
C12 C11 C17 109.5(5) . . ?
C11 C12 C13 108.4(5) . . ?
C11 C12 H12A 110.0 . . ?
C13 C12 H12A 110.0 . . ?
C11 C12 H12B 110.0 . . ?
C13 C12 H12B 110.0 . . ?
H12A C12 H12B 108.4 . . ?
C12 C13 C14 110.0(5) . . ?
C12 C13 C19 110.0(5) . . ?
C14 C13 C19 108.5(5) . . ?
C12 C13 H13 109.4 . . ?
C14 C13 H13 109.4 . . ?
C19 C13 H13 109.4 . . ?
C15 C14 C13 110.1(5) . . ?
C15 C14 H14A 109.6 . . ?
C13 C14 H14A 109.6 . . ?
C15 C14 H14B 109.6 . . ?
C13 C14 H14B 109.6 . . ?
H14A C14 H14B 108.2 . . ?
C14 C15 C20 110.1(6) . . ?
C14 C15 C16 109.2(6) . . ?
C20 C15 C16 108.1(6) . . ?
C14 C15 H15 109.8 . . ?
C20 C15 H15 109.8 . . ?
C16 C15 H15 109.8 . . ?
C11 C16 C15 109.1(5) . . ?
C11 C16 H16A 109.9 . . ?
C15 C16 H16A 109.9 . . ?
C11 C16 H16B 109.9 . . ?
C15 C16 H16B 109.9 . . ?
H16A C16 H16B 108.3 . . ?
C11 C17 C18 107.6(5) . . ?
C11 C17 H17A 110.2 . . ?
C18 C17 H17A 110.2 . . ?
C11 C17 H17B 110.2 . . ?
C18 C17 H17B 110.2 . . ?
H17A C17 H17B 108.5 . . ?
C19 C18 C20 110.8(5) . . ?
C19 C18 C17 109.3(5) . . ?
C20 C18 C17 109.7(5) . . ?
C19 C18 H18 109.0 . . ?
C20 C18 H18 109.0 . . ?
C17 C18 H18 109.0 . . ?
C18 C19 C13 109.4(5) . . ?
C18 C19 H19A 109.8 . . ?
C13 C19 H19A 109.8 . . ?
C18 C19 H19B 109.8 . . ?
C13 C19 H19B 109.8 . . ?
H19A C19 H19B 108.2 . . ?
C18 C20 C15 109.3(5) . . ?
C18 C20 H20A 109.8 . . ?
C15 C20 H20A 109.8 . . ?
C18 C20 H20B 109.8 . . ?
C15 C20 H20B 109.8 . . ?
H20A C20 H20B 108.3 . . ?
N2 C21 C22 110.1(5) . . ?
N2 C21 C27 111.4(5) . . ?
C22 C21 C27 108.2(5) . . ?
N2 C21 C26 108.1(4) . . ?
C22 C21 C26 112.4(5) . . ?
C27 C21 C26 106.6(5) . . ?
C21 C22 C23 109.5(5) . . ?
C21 C22 H22A 109.8 . . ?
C23 C22 H22A 109.8 . . ?
C21 C22 H22B 109.8 . . ?
C23 C22 H22B 109.8 . . ?
H22A C22 H22B 108.2 . . ?
C29 C23 C24 109.5(5) . . ?
C29 C23 C22 109.4(5) . . ?
C24 C23 C22 109.3(5) . . ?
C29 C23 H23 109.5 . . ?
C24 C23 H23 109.5 . . ?
C22 C23 H23 109.5 . . ?
C23 C24 C25 110.2(5) . . ?
C23 C24 H24A 109.6 . . ?
C25 C24 H24A 109.6 . . ?
C23 C24 H24B 109.6 . . ?
C25 C24 H24B 109.6 . . ?
H24A C24 H24B 108.1 . . ?
C26 C25 C24 109.5(5) . . ?
C26 C25 C30 109.2(5) . . ?
C24 C25 C30 109.4(5) . . ?
C26 C25 H25 109.6 . . ?
C24 C25 H25 109.6 . . ?
C30 C25 H25 109.6 . . ?
C25 C26 C21 109.7(5) . . ?
C25 C26 H26A 109.7 . . ?
C21 C26 H26A 109.7 . . ?
C25 C26 H26B 109.7 . . ?
C21 C26 H26B 109.7 . . ?
H26A C26 H26B 108.2 . . ?
C28 C27 C21 110.0(5) . . ?
C28 C27 H27A 109.7 . . ?
C21 C27 H27A 109.7 . . ?
C28 C27 H27B 109.7 . . ?
C21 C27 H27B 109.7 . . ?
H27A C27 H27B 108.2 . . ?
C29 C28 C27 110.0(5) . . ?
C29 C28 C30 109.4(5) . . ?
C27 C28 C30 110.5(5) . . ?
C29 C28 H28 108.9 . . ?
C27 C28 H28 108.9 . . ?
C30 C28 H28 108.9 . . ?
C28 C29 C23 109.0(5) . . ?
C28 C29 H29A 109.9 . . ?
C23 C29 H29A 109.9 . . ?
C28 C29 H29B 109.9 . . ?
C23 C29 H29B 109.9 . . ?
H29A C29 H29B 108.3 . . ?
C25 C30 C28 108.2(5) . . ?
C25 C30 H30A 110.1 . . ?
C28 C30 H30A 110.1 . . ?
C25 C30 H30B 110.1 . . ?
C28 C30 H30B 110.1 . . ?
H30A C30 H30B 108.4 . . ?

_refine_diff_density_max         2.501
_refine_diff_density_min         -1.739
_refine_diff_density_rms         0.234



_chemical_properties_physical    Heat-sensitive
