 
data_cu_20200113LI_NZY_WYX_0m_a
 
_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
 'C32 H37 N O3' 
_chemical_formula_weight          483.62

loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'C'  'C'   0.0181   0.0091
 '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'   0.0311   0.0180
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O'  'O'   0.0492   0.0322
 '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                    11.8096(4)
_cell_length_b                    6.1870(2)
_cell_length_c                    19.7061(7)
_cell_angle_alpha                 90
_cell_angle_beta                  105.867(2)
_cell_angle_gamma                 90
_cell_volume                      1384.99(8)
_cell_formula_units_Z             2
_cell_measurement_temperature     296(2)
_cell_measurement_reflns_used      4339
_cell_measurement_theta_min        3.89
_cell_measurement_theta_max       67.69
 
_exptl_crystal_description        'block'
_exptl_crystal_colour             ?
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     1.160          
_exptl_crystal_F_000              520
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           0.120
_exptl_crystal_size_mid           0.110
_exptl_crystal_size_min           0.080
_exptl_absorpt_coefficient_mu     0.576
_shelx_estimated_absorpt_T_min    0.934
_shelx_estimated_absorpt_T_max    0.955
_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       296(2)
_diffrn_radiation_wavelength      1.54178
_diffrn_radiation_type            CuK\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             11579
_diffrn_reflns_av_unetI/netI      0.0336
_diffrn_reflns_av_R_equivalents   0.0291
_diffrn_reflns_limit_h_min        -14
_diffrn_reflns_limit_h_max        14
_diffrn_reflns_limit_k_min        -7
_diffrn_reflns_limit_k_max        7
_diffrn_reflns_limit_l_min        -23
_diffrn_reflns_limit_l_max        23
_diffrn_reflns_theta_min          2.331
_diffrn_reflns_theta_max          67.862
_diffrn_reflns_theta_full         67.679
_diffrn_measured_fraction_theta_max   0.991
_diffrn_measured_fraction_theta_full  0.991
_diffrn_reflns_Laue_measured_fraction_max    0.991
_diffrn_reflns_Laue_measured_fraction_full   0.991
_diffrn_reflns_point_group_measured_fraction_max   0.946
_diffrn_reflns_point_group_measured_fraction_full  0.946
_reflns_number_total              4760
_reflns_number_gt                 4190
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.733
_reflns_Friedel_fraction_max      0.890
_reflns_Friedel_fraction_full     0.892
 
_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     '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)+(0.0519P)²+0.0866P] 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_abs_structure_details
;
 Flack x determined using 1588 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack    -0.06(13)
_chemical_absolute_configuration  ad
_refine_ls_number_reflns          4760
_refine_ls_number_parameters      327
_refine_ls_number_restraints      1
_refine_ls_R_factor_all           0.0414
_refine_ls_R_factor_gt            0.0353
_refine_ls_wR_factor_ref          0.0979
_refine_ls_wR_factor_gt           0.0916
_refine_ls_goodness_of_fit_ref    1.030
_refine_ls_restrained_S_all       1.030
_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 -0.0261(3) 0.5163(6) 0.57184(18) 0.0766(9) Uani 1 1 d . . . . .
H1 H 0.027786 0.625109 0.570815 0.092 Uiso 1 1 calc R U . . .
C2 C -0.1435(3) 0.5489(7) 0.5400(2) 0.0894(11) Uani 1 1 d . . . . .
H2 H -0.168254 0.677609 0.516246 0.107 Uiso 1 1 calc R U . . .
C3 C -0.2248(3) 0.3928(7) 0.54303(19) 0.0842(10) Uani 1 1 d . . . . .
H3 H -0.304487 0.416846 0.522126 0.101 Uiso 1 1 calc R U . . .
C4 C -0.1878(3) 0.2019(7) 0.5770(2) 0.0860(11) Uani 1 1 d . . . . .
H4 H -0.242374 0.096155 0.579699 0.103 Uiso 1 1 calc R U . . .
C5 C -0.0683(3) 0.1667(6) 0.60737(18) 0.0740(9) Uani 1 1 d . . . . .
H5 H -0.043122 0.035406 0.629299 0.089 Uiso 1 1 calc R U . . .
C6 C 0.0128(2) 0.3237(5) 0.60534(14) 0.0588(6) Uani 1 1 d . . . . .
C7 C 0.1410(2) 0.2762(5) 0.63887(15) 0.0586(6) Uani 1 1 d . . . . .
C8 C 0.2283(2) 0.4583(4) 0.64583(14) 0.0526(6) Uani 1 1 d . . . . .
H8A H 0.202813 0.578276 0.669712 0.063 Uiso 1 1 calc R U . . .
H8B H 0.227896 0.507033 0.598972 0.063 Uiso 1 1 calc R U . . .
C9 C 0.35392(19) 0.3988(4) 0.68597(12) 0.0430(5) Uani 1 1 d . . . . .
H9 H 0.369070 0.254315 0.670063 0.052 Uiso 1 1 calc R U . . .
C10 C 0.4495(2) 0.5521(4) 0.67142(11) 0.0423(5) Uani 1 1 d . . . . .
C11 C 0.4243(3) 0.7880(4) 0.68606(15) 0.0595(6) Uani 1 1 d . . . . .
H11A H 0.423543 0.802896 0.734423 0.089 Uiso 1 1 calc R U . . .
H11B H 0.349091 0.829693 0.655772 0.089 Uiso 1 1 calc R U . . .
H11C H 0.484435 0.879135 0.677143 0.089 Uiso 1 1 calc R U . . .
C12 C 0.57323(19) 0.4789(4) 0.71660(11) 0.0400(5) Uani 1 1 d . . . . .
H12 H 0.584368 0.331688 0.701260 0.048 Uiso 1 1 calc R U . . .
C13 C 0.58159(19) 0.4635(4) 0.79616(11) 0.0392(5) Uani 1 1 d . . . . .
H13 H 0.568978 0.607523 0.813440 0.047 Uiso 1 1 calc R U . . .
C14 C 0.48604(19) 0.3111(4) 0.80729(11) 0.0453(5) Uani 1 1 d . . . . .
H14A H 0.501099 0.165782 0.793438 0.054 Uiso 1 1 calc R U . . .
H14B H 0.488956 0.308278 0.856956 0.054 Uiso 1 1 calc R U . . .
C15 C 0.3647(2) 0.3820(5) 0.76473(12) 0.0502(6) Uani 1 1 d . . . . .
H15A H 0.347035 0.521539 0.781825 0.060 Uiso 1 1 calc R U . . .
H15B H 0.306950 0.279327 0.771895 0.060 Uiso 1 1 calc R U . . .
C16 C 0.4460(2) 0.5379(5) 0.59240(12) 0.0528(6) Uani 1 1 d . . . . .
H16A H 0.368783 0.582487 0.564137 0.063 Uiso 1 1 calc R U . . .
H16B H 0.503214 0.638215 0.583192 0.063 Uiso 1 1 calc R U . . .
C17 C 0.4707(2) 0.3236(5) 0.57053(12) 0.0592(7) Uani 1 1 d . . . . .
C18 C 0.6749(2) 0.6144(5) 0.70371(13) 0.0570(7) Uani 1 1 d . . . . .
H18A H 0.671061 0.609308 0.653928 0.068 Uiso 1 1 calc R U . . .
H18B H 0.665096 0.763770 0.715908 0.068 Uiso 1 1 calc R U . . .
C19 C 0.7968(2) 0.5346(5) 0.74680(13) 0.0563(6) Uani 1 1 d . . . . .
H19A H 0.810905 0.390977 0.731135 0.068 Uiso 1 1 calc R U . . .
H19B H 0.857149 0.630195 0.739095 0.068 Uiso 1 1 calc R U . . .
C20 C 0.80370(19) 0.5288(4) 0.82515(12) 0.0433(5) Uani 1 1 d . . . . .
C21 C 0.70361(19) 0.3863(4) 0.83558(11) 0.0404(5) Uani 1 1 d . . . . .
H21 H 0.713505 0.245604 0.815063 0.049 Uiso 1 1 calc R U . . .
C22 C 0.7362(2) 0.3508(5) 0.91558(12) 0.0577(6) Uani 1 1 d . . . . .
H22A H 0.706359 0.467338 0.938756 0.069 Uiso 1 1 calc R U . . .
H22B H 0.704576 0.214903 0.926885 0.069 Uiso 1 1 calc R U . . .
C23 C 0.8711(2) 0.3473(5) 0.93812(13) 0.0569(6) Uani 1 1 d . . . . .
H23A H 0.900046 0.205101 0.955087 0.068 Uiso 1 1 calc R U . . .
H23B H 0.901707 0.452052 0.975230 0.068 Uiso 1 1 calc R U . . .
C24 C 0.9078(2) 0.4059(4) 0.87141(13) 0.0470(5) Uani 1 1 d . . . . .
H24 H 0.918979 0.272432 0.847234 0.056 Uiso 1 1 calc R U . . .
C25 C 0.8006(2) 0.7591(4) 0.85475(16) 0.0631(7) Uani 1 1 d . . . . .
H25A H 0.806874 0.751043 0.904299 0.095 Uiso 1 1 calc R U . . .
H25B H 0.727722 0.827752 0.830776 0.095 Uiso 1 1 calc R U . . .
H25C H 0.865163 0.841633 0.847587 0.095 Uiso 1 1 calc R U . . .
C26 C 1.1151(2) 0.4385(4) 0.91130(13) 0.0504(6) Uani 1 1 d . . . . .
C27 C 1.2178(2) 0.5815(4) 0.91163(12) 0.0458(5) Uani 1 1 d . . . . .
C28 C 1.2045(2) 0.7831(5) 0.88100(15) 0.0613(7) Uani 1 1 d . . . . .
H28 H 1.129342 0.836856 0.860547 0.074 Uiso 1 1 calc R U . . .
C29 C 1.3005(3) 0.9048(5) 0.88037(17) 0.0719(8) Uani 1 1 d . . . . .
H29 H 1.290290 1.041362 0.859881 0.086 Uiso 1 1 calc R U . . .
C30 C 1.4123(3) 0.8271(6) 0.90981(15) 0.0661(7) Uani 1 1 d . . . . .
H30 H 1.477500 0.908480 0.907867 0.079 Uiso 1 1 calc R U . . .
C31 C 1.4268(2) 0.6287(5) 0.94204(14) 0.0602(7) Uani 1 1 d . . . . .
H31 H 1.502081 0.576991 0.963318 0.072 Uiso 1 1 calc R U . . .
C32 C 1.3297(2) 0.5058(5) 0.94290(13) 0.0522(6) Uani 1 1 d . . . . .
H32 H 1.339844 0.371152 0.964686 0.063 Uiso 1 1 calc R U . . .
N1 N 0.4909(3) 0.1527(5) 0.55536(15) 0.0860(9) Uani 1 1 d . . . . .
O1 O 0.17121(18) 0.0950(4) 0.65846(15) 0.0890(8) Uani 1 1 d . . . . .
O2 O 1.12429(17) 0.2573(3) 0.93339(14) 0.0777(6) Uani 1 1 d . . . . .
O3 O 1.01303(13) 0.5359(3) 0.88340(10) 0.0527(4) 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 1.371(4) . ?
C1 C6 1.379(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.375(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.369(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.392(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.372(4) . ?
C5 H5 0.9300 . ?
C6 C7 1.506(4) . ?
C7 O1 1.208(4) . ?
C7 C8 1.508(4) . ?
C8 C9 1.523(3) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C15 1.526(3) . ?
C9 C10 1.560(3) . ?
C9 H9 0.9800 . ?
C10 C11 1.533(3) . ?
C10 C16 1.549(3) . ?
C10 C12 1.556(3) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C18 1.541(3) . ?
C12 C13 1.547(3) . ?
C12 H12 0.9800 . ?
C13 C21 1.515(3) . ?
C13 C14 1.531(3) . ?
C13 H13 0.9800 . ?
C14 C15 1.514(3) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.448(4) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 N1 1.142(4) . ?
C18 C19 1.539(3) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.524(3) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C24 1.519(3) . ?
C20 C21 1.533(3) . ?
C20 C25 1.544(4) . ?
C21 C22 1.533(3) . ?
C21 H21 0.9800 . ?
C22 C23 1.532(3) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.536(3) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 O3 1.445(3) . ?
C24 H24 0.9800 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 O2 1.197(3) . ?
C26 O3 1.325(3) . ?
C26 C27 1.500(3) . ?
C27 C28 1.376(4) . ?
C27 C32 1.379(3) . ?
C28 C29 1.364(4) . ?
C28 H28 0.9300 . ?
C29 C30 1.375(4) . ?
C29 H29 0.9300 . ?
C30 C31 1.371(5) . ?
C30 H30 0.9300 . ?
C31 C32 1.379(4) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
 
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 120.6(4) . . ?
C2 C1 H1 119.7 . . ?
C6 C1 H1 119.7 . . ?
C1 C2 C3 120.6(4) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 H2 119.7 . . ?
C4 C3 C2 119.6(3) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 119.7(4) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C6 C5 C4 120.7(3) . . ?
C6 C5 H5 119.6 . . ?
C4 C5 H5 119.6 . . ?
C5 C6 C1 118.8(3) . . ?
C5 C6 C7 118.4(3) . . ?
C1 C6 C7 122.8(3) . . ?
O1 C7 C6 119.7(3) . . ?
O1 C7 C8 122.0(2) . . ?
C6 C7 C8 118.3(2) . . ?
C7 C8 C9 114.3(2) . . ?
C7 C8 H8A 108.7 . . ?
C9 C8 H8A 108.7 . . ?
C7 C8 H8B 108.7 . . ?
C9 C8 H8B 108.7 . . ?
H8A C8 H8B 107.6 . . ?
C8 C9 C15 110.08(19) . . ?
C8 C9 C10 114.12(19) . . ?
C15 C9 C10 111.42(19) . . ?
C8 C9 H9 106.9 . . ?
C15 C9 H9 106.9 . . ?
C10 C9 H9 106.9 . . ?
C11 C10 C16 106.9(2) . . ?
C11 C10 C12 111.7(2) . . ?
C16 C10 C12 108.74(18) . . ?
C11 C10 C9 110.90(19) . . ?
C16 C10 C9 109.19(19) . . ?
C12 C10 C9 109.36(18) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C18 C12 C13 111.35(18) . . ?
C18 C12 C10 113.55(18) . . ?
C13 C12 C10 112.81(17) . . ?
C18 C12 H12 106.2 . . ?
C13 C12 H12 106.2 . . ?
C10 C12 H12 106.2 . . ?
C21 C13 C14 111.55(18) . . ?
C21 C13 C12 109.11(17) . . ?
C14 C13 C12 109.75(17) . . ?
C21 C13 H13 108.8 . . ?
C14 C13 H13 108.8 . . ?
C12 C13 H13 108.8 . . ?
C15 C14 C13 111.42(19) . . ?
C15 C14 H14A 109.3 . . ?
C13 C14 H14A 109.3 . . ?
C15 C14 H14B 109.3 . . ?
C13 C14 H14B 109.3 . . ?
H14A C14 H14B 108.0 . . ?
C14 C15 C9 112.73(18) . . ?
C14 C15 H15A 109.0 . . ?
C9 C15 H15A 109.0 . . ?
C14 C15 H15B 109.0 . . ?
C9 C15 H15B 109.0 . . ?
H15A C15 H15B 107.8 . . ?
C17 C16 C10 113.5(2) . . ?
C17 C16 H16A 108.9 . . ?
C10 C16 H16A 108.9 . . ?
C17 C16 H16B 108.9 . . ?
C10 C16 H16B 108.9 . . ?
H16A C16 H16B 107.7 . . ?
N1 C17 C16 177.9(3) . . ?
C19 C18 C12 112.8(2) . . ?
C19 C18 H18A 109.0 . . ?
C12 C18 H18A 109.0 . . ?
C19 C18 H18B 109.0 . . ?
C12 C18 H18B 109.0 . . ?
H18A C18 H18B 107.8 . . ?
C20 C19 C18 110.48(19) . . ?
C20 C19 H19A 109.6 . . ?
C18 C19 H19A 109.6 . . ?
C20 C19 H19B 109.6 . . ?
C18 C19 H19B 109.6 . . ?
H19A C19 H19B 108.1 . . ?
C24 C20 C19 115.5(2) . . ?
C24 C20 C21 99.13(18) . . ?
C19 C20 C21 108.63(18) . . ?
C24 C20 C25 109.5(2) . . ?
C19 C20 C25 111.2(2) . . ?
C21 C20 C25 112.4(2) . . ?
C13 C21 C20 114.21(18) . . ?
C13 C21 C22 120.56(18) . . ?
C20 C21 C22 103.56(18) . . ?
C13 C21 H21 105.8 . . ?
C20 C21 H21 105.8 . . ?
C22 C21 H21 105.8 . . ?
C23 C22 C21 104.40(19) . . ?
C23 C22 H22A 110.9 . . ?
C21 C22 H22A 110.9 . . ?
C23 C22 H22B 110.9 . . ?
C21 C22 H22B 110.9 . . ?
H22A C22 H22B 108.9 . . ?
C22 C23 C24 105.26(19) . . ?
C22 C23 H23A 110.7 . . ?
C24 C23 H23A 110.7 . . ?
C22 C23 H23B 110.7 . . ?
C24 C23 H23B 110.7 . . ?
H23A C23 H23B 108.8 . . ?
O3 C24 C20 109.76(19) . . ?
O3 C24 C23 115.0(2) . . ?
C20 C24 C23 105.07(19) . . ?
O3 C24 H24 108.9 . . ?
C20 C24 H24 108.9 . . ?
C23 C24 H24 108.9 . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C20 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O2 C26 O3 124.0(2) . . ?
O2 C26 C27 123.9(2) . . ?
O3 C26 C27 112.1(2) . . ?
C28 C27 C32 119.0(2) . . ?
C28 C27 C26 122.5(2) . . ?
C32 C27 C26 118.5(2) . . ?
C29 C28 C27 120.6(3) . . ?
C29 C28 H28 119.7 . . ?
C27 C28 H28 119.7 . . ?
C28 C29 C30 120.5(3) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C31 C30 C29 119.5(3) . . ?
C31 C30 H30 120.2 . . ?
C29 C30 H30 120.2 . . ?
C30 C31 C32 120.0(3) . . ?
C30 C31 H31 120.0 . . ?
C32 C31 H31 120.0 . . ?
C27 C32 C31 120.4(3) . . ?
C27 C32 H32 119.8 . . ?
C31 C32 H32 119.8 . . ?
C26 O3 C24 117.29(19) . . ?
 
_refine_diff_density_max    0.100
_refine_diff_density_min   -0.101
_refine_diff_density_rms    0.024



