# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_I
_database_code_depnum_ccdc_archive 'CCDC 2227386'
loop_
_audit_author_name
_audit_author_address
'Takashi MINO'
;Chiba University
Japan
;
_audit_update_record             
;
2022-12-19 deposited with the CCDC.	2023-03-09 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H34 N O2 P'
_chemical_formula_iupac          ?
_chemical_formula_weight         519.59
_chemical_absolute_configuration ad

_chemical_melting_point          ?

_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   9.2573(2)
_cell_length_b                   17.7086(4)
_cell_length_c                   17.8309(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2923.09(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9674
_cell_measurement_theta_min      3.5176
_cell_measurement_theta_max      66.3534
_cell_measurement_temperature    173(2)

_exptl_crystal_description       Plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.050
_exptl_crystal_density_diffrn    1.181
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1104

_exptl_absorpt_coefficient_mu    1.059
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick 1996)'
_exptl_absorpt_correction_T_min  0.82
_exptl_absorpt_correction_T_max  0.95

_exptl_special_details           'SADABS (Sheldrick 1996)'

_diffrn_ambient_temperature      173(2)

_diffrn_source                   'Bruker TXS fine-focus rotating anode'
_diffrn_source_type              ?

_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'

_diffrn_measurement_device_type  'Bruker APEXII Ultra CCD area detector'
_diffrn_measurement_method       'Phi and Omega scans'

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            49985
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_av_unetI/netI     0.0277
_diffrn_reflns_theta_min         3.517
_diffrn_reflns_theta_max         66.640
_diffrn_reflns_theta_full        66.640
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21

_refine_special_details          
;
;

_reflns_number_total             5103
_reflns_number_gt                4947
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0432
_refine_ls_R_factor_gt           0.0418
_refine_ls_wR_factor_gt          0.1079
_refine_ls_wR_factor_ref         0.1117
_refine_ls_goodness_of_fit_ref   0.822
_refine_ls_restrained_S_all      0.822
_refine_ls_number_reflns         5103
_refine_ls_number_parameters     344
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²+0.9059P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap

_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.412
_refine_diff_density_min         -0.283
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;
Flack x determined using 926 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.016(4)

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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'XSHEL (Bruker AXS,2002)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.9042(3) 0.19205(15) 0.73173(15) 0.0370(5) Uani d . . . 1 . .
C C2 0.9644(4) 0.1613(2) 0.66796(17) 0.0559(8) Uani d . . . 1 . .
H H2 0.9546 0.1869 0.6214 0.067 Uiso calc U . R 1 . .
C C3 1.0387(4) 0.0937(2) 0.6709(2) 0.0653(9) Uani d . . . 1 . .
H H3 1.0794 0.0734 0.6263 0.078 Uiso calc U . R 1 . .
C C4 1.0544(4) 0.05549(19) 0.7376(2) 0.0605(8) Uani d . . . 1 . .
H H4 1.1048 0.0088 0.7394 0.073 Uiso calc U . R 1 . .
C C5 0.9959(4) 0.0860(2) 0.8019(2) 0.0593(8) Uani d . . . 1 . .
H H5 1.0057 0.0601 0.8482 0.071 Uiso calc U . R 1 . .
C C6 0.9228(3) 0.15433(18) 0.79913(17) 0.0502(7) Uani d . . . 1 . .
H H6 0.8851 0.1755 0.844 0.06 Uiso calc U . R 1 . .
C C7 0.8075(4) 0.31235(17) 0.63714(17) 0.0528(7) Uani d . . . 1 . .
C C8 0.7137(5) 0.2842(3) 0.5839(2) 0.0765(11) Uani d . . . 1 . .
H H8 0.6419 0.2486 0.598 0.092 Uiso calc U . R 1 . .
C C9 0.7237(8) 0.3079(4) 0.5096(3) 0.120(2) Uani d . . . 1 . .
H H9 0.6594 0.2883 0.4729 0.144 Uiso calc U . R 1 . .
C C10 0.8294(9) 0.3609(5) 0.4892(3) 0.130(3) Uani d . . . 1 . .
H H10 0.8372 0.3773 0.4386 0.156 Uiso calc U . R 1 . .
C C11 0.9200(7) 0.3884(4) 0.5419(4) 0.131(3) Uani d . . . 1 . .
H H11 0.992 0.4241 0.5281 0.158 Uiso calc U . R 1 . .
C C12 0.9093(5) 0.3655(3) 0.6151(3) 0.0846(13) Uani d . . . 1 . .
H H12 0.9727 0.3863 0.6515 0.102 Uiso calc U . R 1 . .
C C13 0.5323(3) 0.30591(12) 0.78821(12) 0.0280(5) Uani d . . . 1 . .
C C14 0.3851(3) 0.28939(13) 0.79562(13) 0.0321(5) Uani d . . . 1 . .
C C15 0.3296(3) 0.22221(14) 0.76814(15) 0.0404(5) Uani d . . . 1 . .
H H15 0.2292 0.2117 0.7718 0.048 Uiso calc U . R 1 . .
C C16 0.4226(3) 0.17041(14) 0.73516(17) 0.0435(6) Uani d . . . 1 . .
H H16 0.3859 0.1234 0.7179 0.052 Uiso calc U . R 1 . .
C C17 0.5666(3) 0.18631(14) 0.72722(14) 0.0382(5) Uani d . . . 1 . .
H H17 0.6284 0.1501 0.7045 0.046 Uiso calc U . R 1 . .
C C18 0.6241(2) 0.25475(12) 0.75186(12) 0.0302(5) Uani d . . . 1 . .
C C19 0.1539(3) 0.3438(2) 0.8167(2) 0.0554(8) Uani d . . . 1 . .
H H19A 0.1377 0.3453 0.7624 0.083 Uiso calc U . R 1 . .
H H19B 0.1103 0.3885 0.8399 0.083 Uiso calc U . R 1 . .
H H19C 0.1098 0.2982 0.8376 0.083 Uiso calc U . R 1 . .
C C20 0.5366(3) 0.44189(13) 0.78621(13) 0.0342(5) Uani d . . . 1 . .
C C21 0.4860(3) 0.43714(15) 0.70737(14) 0.0394(6) Uani d . . . 1 . .
H H21 0.5039 0.3924 0.6795 0.047 Uiso calc U . R 1 . .
C C22 0.4169(3) 0.49334(15) 0.67516(16) 0.0443(6) Uani d . . . 1 . .
H H22 0.4038 0.5375 0.7046 0.053 Uiso calc U . R 1 . .
C C23 0.3578(3) 0.49542(16) 0.59883(15) 0.0437(6) Uani d . . . 1 . .
C C24 0.3412(4) 0.4314(2) 0.55516(18) 0.0597(8) Uani d . . . 1 . .
H H24 0.3704 0.3837 0.5741 0.072 Uiso calc U . R 1 . .
C C25 0.2820(5) 0.4367(3) 0.4837(2) 0.0747(11) Uani d . . . 1 . .
H H25 0.2709 0.3924 0.4542 0.09 Uiso calc U . R 1 . .
C C26 0.2396(4) 0.5050(3) 0.4555(2) 0.0712(11) Uani d . . . 1 . .
H H26 0.1991 0.5081 0.4066 0.085 Uiso calc U . R 1 . .
C C27 0.2555(4) 0.5686(3) 0.4977(2) 0.0692(11) Uani d . . . 1 . .
H H27 0.2259 0.616 0.4782 0.083 Uiso calc U . R 1 . .
C C28 0.3148(4) 0.56416(19) 0.56878(17) 0.0554(7) Uani d . . . 1 . .
H H28 0.3262 0.6089 0.5975 0.066 Uiso calc U . R 1 . .
C C29 0.6270(3) 0.38032(13) 0.89843(13) 0.0312(5) Uani d . . . 1 . .
H H29 0.5521 0.4106 0.9254 0.037 Uiso calc U . R 1 . .
C C30 0.7709(3) 0.42079(19) 0.90715(17) 0.0507(7) Uani d . . . 1 . .
H H30A 0.7646 0.4714 0.8838 0.061 Uiso calc U . R 1 . .
H H30B 0.8471 0.3919 0.8808 0.061 Uiso calc U . R 1 . .
C C31 0.8117(5) 0.4292(2) 0.9895(2) 0.0681(10) Uani d . . . 1 . .
H H31A 0.9074 0.4539 0.9934 0.082 Uiso calc U . R 1 . .
H H31B 0.7401 0.4619 1.0149 0.082 Uiso calc U . R 1 . .
C C32 0.8169(6) 0.3534(2) 1.0279(2) 0.0794(12) Uani d . . . 1 . .
H H32A 0.8962 0.3228 1.0064 0.095 Uiso calc U . R 1 . .
H H32B 0.837 0.3606 1.082 0.095 Uiso calc U . R 1 . .
C C33 0.6757(6) 0.3120(2) 1.01853(18) 0.0788(13) Uani d . . . 1 . .
H H33A 0.5985 0.34 1.0451 0.095 Uiso calc U . R 1 . .
H H33B 0.6836 0.2614 1.0417 0.095 Uiso calc U . R 1 . .
C C34 0.6341(5) 0.30332(16) 0.93522(16) 0.0549(8) Uani d . . . 1 . .
H H34A 0.7066 0.2716 0.9093 0.066 Uiso calc U . R 1 . .
H H34B 0.539 0.278 0.9312 0.066 Uiso calc U . R 1 . .
N N1 0.5842(2) 0.37626(11) 0.81788(10) 0.0278(4) Uani d . . . 1 . .
O O1 0.5364(3) 0.50187(10) 0.82068(11) 0.0509(5) Uani d . . . 1 . .
O O2 0.30536(19) 0.34323(11) 0.83145(11) 0.0427(4) Uani d . . . 1 . .
P P1 0.81227(7) 0.28393(4) 0.73600(4) 0.03722(18) Uani d . . . 1 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 . 1.379(4) ?
C1 C6 . 1.386(4) ?
C1 P1 . 1.838(3) ?
C2 C3 . 1.381(5) ?
C2 H2 . 0.95 ?
C3 C4 . 1.377(5) ?
C3 H3 . 0.95 ?
C4 C5 . 1.377(5) ?
C4 H4 . 0.95 ?
C5 C6 . 1.387(4) ?
C5 H5 . 0.95 ?
C6 H6 . 0.95 ?
C7 C8 . 1.379(6) ?
C7 C12 . 1.388(5) ?
C7 P1 . 1.834(3) ?
C8 C9 . 1.394(6) ?
C8 H8 . 0.95 ?
C9 C10 . 1.403(11) ?
C9 H9 . 0.95 ?
C10 C11 . 1.352(11) ?
C10 H10 . 0.95 ?
C11 C12 . 1.371(7) ?
C11 H11 . 0.95 ?
C12 H12 . 0.95 ?
C13 C14 . 1.400(4) ?
C13 C18 . 1.401(3) ?
C13 N1 . 1.436(3) ?
C14 O2 . 1.364(3) ?
C14 C15 . 1.386(3) ?
C15 C16 . 1.389(4) ?
C15 H15 . 0.95 ?
C16 C17 . 1.370(4) ?
C16 H16 . 0.95 ?
C17 C18 . 1.395(3) ?
C17 H17 . 0.95 ?
C18 P1 . 1.839(2) ?
C19 O2 . 1.427(3) ?
C19 H19A . 0.98 ?
C19 H19B . 0.98 ?
C19 H19C . 0.98 ?
C20 O1 . 1.227(3) ?
C20 N1 . 1.365(3) ?
C20 C21 . 1.484(3) ?
C21 C22 . 1.315(4) ?
C21 H21 . 0.95 ?
C22 C23 . 1.467(4) ?
C22 H22 . 0.95 ?
C23 C24 . 1.383(4) ?
C23 C28 . 1.388(4) ?
C24 C25 . 1.390(5) ?
C24 H24 . 0.95 ?
C25 C26 . 1.368(6) ?
C25 H25 . 0.95 ?
C26 C27 . 1.362(6) ?
C26 H26 . 0.95 ?
C27 C28 . 1.384(5) ?
C27 H27 . 0.95 ?
C28 H28 . 0.95 ?
C29 N1 . 1.492(3) ?
C29 C34 . 1.515(3) ?
C29 C30 . 1.521(4) ?
C29 H29 . 1.0 ?
C30 C31 . 1.523(4) ?
C30 H30A . 0.99 ?
C30 H30B . 0.99 ?
C31 C32 . 1.509(6) ?
C31 H31A . 0.99 ?
C31 H31B . 0.99 ?
C32 C33 . 1.508(7) ?
C32 H32A . 0.99 ?
C32 H32B . 0.99 ?
C33 C34 . 1.542(4) ?
C33 H33A . 0.99 ?
C33 H33B . 0.99 ?
C34 H34A . 0.99 ?
C34 H34B . 0.99 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 C1 C6 . . 118.3(2) ?
C2 C1 P1 . . 124.8(2) ?
C6 C1 P1 . . 116.7(2) ?
C1 C2 C3 . . 120.8(3) ?
C1 C2 H2 . . 119.6 ?
C3 C2 H2 . . 119.6 ?
C4 C3 C2 . . 120.7(3) ?
C4 C3 H3 . . 119.6 ?
C2 C3 H3 . . 119.6 ?
C5 C4 C3 . . 119.0(3) ?
C5 C4 H4 . . 120.5 ?
C3 C4 H4 . . 120.5 ?
C4 C5 C6 . . 120.3(3) ?
C4 C5 H5 . . 119.8 ?
C6 C5 H5 . . 119.8 ?
C1 C6 C5 . . 120.8(3) ?
C1 C6 H6 . . 119.6 ?
C5 C6 H6 . . 119.6 ?
C8 C7 C12 . . 118.5(3) ?
C8 C7 P1 . . 125.3(3) ?
C12 C7 P1 . . 116.2(3) ?
C7 C8 C9 . . 120.2(5) ?
C7 C8 H8 . . 119.9 ?
C9 C8 H8 . . 119.9 ?
C8 C9 C10 . . 119.6(6) ?
C8 C9 H9 . . 120.2 ?
C10 C9 H9 . . 120.2 ?
C11 C10 C9 . . 119.6(5) ?
C11 C10 H10 . . 120.2 ?
C9 C10 H10 . . 120.2 ?
C10 C11 C12 . . 120.7(6) ?
C10 C11 H11 . . 119.6 ?
C12 C11 H11 . . 119.6 ?
C11 C12 C7 . . 121.3(6) ?
C11 C12 H12 . . 119.4 ?
C7 C12 H12 . . 119.4 ?
C14 C13 C18 . . 119.9(2) ?
C14 C13 N1 . . 118.2(2) ?
C18 C13 N1 . . 121.9(2) ?
O2 C14 C15 . . 124.4(2) ?
O2 C14 C13 . . 115.1(2) ?
C15 C14 C13 . . 120.5(2) ?
C14 C15 C16 . . 119.1(2) ?
C14 C15 H15 . . 120.4 ?
C16 C15 H15 . . 120.4 ?
C17 C16 C15 . . 120.8(2) ?
C17 C16 H16 . . 119.6 ?
C15 C16 H16 . . 119.6 ?
C16 C17 C18 . . 121.1(2) ?
C16 C17 H17 . . 119.4 ?
C18 C17 H17 . . 119.4 ?
C17 C18 C13 . . 118.4(2) ?
C17 C18 P1 . . 123.86(18) ?
C13 C18 P1 . . 117.64(17) ?
O2 C19 H19A . . 109.5 ?
O2 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
O2 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
O1 C20 N1 . . 122.0(2) ?
O1 C20 C21 . . 121.5(2) ?
N1 C20 C21 . . 116.5(2) ?
C22 C21 C20 . . 121.6(2) ?
C22 C21 H21 . . 119.2 ?
C20 C21 H21 . . 119.2 ?
C21 C22 C23 . . 127.3(3) ?
C21 C22 H22 . . 116.4 ?
C23 C22 H22 . . 116.4 ?
C24 C23 C28 . . 118.0(3) ?
C24 C23 C22 . . 122.9(3) ?
C28 C23 C22 . . 119.1(3) ?
C23 C24 C25 . . 120.3(3) ?
C23 C24 H24 . . 119.8 ?
C25 C24 H24 . . 119.8 ?
C26 C25 C24 . . 120.7(4) ?
C26 C25 H25 . . 119.7 ?
C24 C25 H25 . . 119.7 ?
C27 C26 C25 . . 119.7(3) ?
C27 C26 H26 . . 120.1 ?
C25 C26 H26 . . 120.1 ?
C26 C27 C28 . . 120.2(3) ?
C26 C27 H27 . . 119.9 ?
C28 C27 H27 . . 119.9 ?
C27 C28 C23 . . 121.1(3) ?
C27 C28 H28 . . 119.4 ?
C23 C28 H28 . . 119.4 ?
N1 C29 C34 . . 112.65(19) ?
N1 C29 C30 . . 110.7(2) ?
C34 C29 C30 . . 110.0(2) ?
N1 C29 H29 . . 107.8 ?
C34 C29 H29 . . 107.8 ?
C30 C29 H29 . . 107.8 ?
C29 C30 C31 . . 111.2(3) ?
C29 C30 H30A . . 109.4 ?
C31 C30 H30A . . 109.4 ?
C29 C30 H30B . . 109.4 ?
C31 C30 H30B . . 109.4 ?
H30A C30 H30B . . 108.0 ?
C32 C31 C30 . . 111.0(3) ?
C32 C31 H31A . . 109.4 ?
C30 C31 H31A . . 109.4 ?
C32 C31 H31B . . 109.4 ?
C30 C31 H31B . . 109.4 ?
H31A C31 H31B . . 108.0 ?
C33 C32 C31 . . 110.7(3) ?
C33 C32 H32A . . 109.5 ?
C31 C32 H32A . . 109.5 ?
C33 C32 H32B . . 109.5 ?
C31 C32 H32B . . 109.5 ?
H32A C32 H32B . . 108.1 ?
C32 C33 C34 . . 111.9(3) ?
C32 C33 H33A . . 109.2 ?
C34 C33 H33A . . 109.2 ?
C32 C33 H33B . . 109.2 ?
C34 C33 H33B . . 109.2 ?
H33A C33 H33B . . 107.9 ?
C29 C34 C33 . . 109.8(2) ?
C29 C34 H34A . . 109.7 ?
C33 C34 H34A . . 109.7 ?
C29 C34 H34B . . 109.7 ?
C33 C34 H34B . . 109.7 ?
H34A C34 H34B . . 108.2 ?
C20 N1 C13 . . 118.54(18) ?
C20 N1 C29 . . 116.29(18) ?
C13 N1 C29 . . 119.03(18) ?
C14 O2 C19 . . 116.8(2) ?
C7 P1 C1 . . 102.38(12) ?
C7 P1 C18 . . 101.66(13) ?
C1 P1 C18 . . 101.30(11) ?

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C6 C1 C2 C3 . . . . 1.4(5) ?
P1 C1 C2 C3 . . . . 176.3(3) ?
C1 C2 C3 C4 . . . . 0.0(6) ?
C2 C3 C4 C5 . . . . -0.6(6) ?
C3 C4 C5 C6 . . . . -0.2(6) ?
C2 C1 C6 C5 . . . . -2.2(5) ?
P1 C1 C6 C5 . . . . -177.5(3) ?
C4 C5 C6 C1 . . . . 1.7(5) ?
C12 C7 C8 C9 . . . . 1.3(6) ?
P1 C7 C8 C9 . . . . -177.4(4) ?
C7 C8 C9 C10 . . . . -0.4(8) ?
C8 C9 C10 C11 . . . . -0.1(9) ?
C9 C10 C11 C12 . . . . -0.3(10) ?
C10 C11 C12 C7 . . . . 1.3(8) ?
C8 C7 C12 C11 . . . . -1.8(6) ?
P1 C7 C12 C11 . . . . 177.1(4) ?
C18 C13 C14 O2 . . . . -179.6(2) ?
N1 C13 C14 O2 . . . . -0.3(3) ?
C18 C13 C14 C15 . . . . 0.9(3) ?
N1 C13 C14 C15 . . . . -179.8(2) ?
O2 C14 C15 C16 . . . . -177.6(3) ?
C13 C14 C15 C16 . . . . 1.9(4) ?
C14 C15 C16 C17 . . . . -2.4(4) ?
C15 C16 C17 C18 . . . . 0.0(4) ?
C16 C17 C18 C13 . . . . 2.9(4) ?
C16 C17 C18 P1 . . . . -174.4(2) ?
C14 C13 C18 C17 . . . . -3.2(3) ?
N1 C13 C18 C17 . . . . 177.5(2) ?
C14 C13 C18 P1 . . . . 174.21(17) ?
N1 C13 C18 P1 . . . . -5.0(3) ?
O1 C20 C21 C22 . . . . -11.5(4) ?
N1 C20 C21 C22 . . . . 169.0(3) ?
C20 C21 C22 C23 . . . . -178.2(3) ?
C21 C22 C23 C24 . . . . 13.9(5) ?
C21 C22 C23 C28 . . . . -166.8(3) ?
C28 C23 C24 C25 . . . . -0.5(5) ?
C22 C23 C24 C25 . . . . 178.8(4) ?
C23 C24 C25 C26 . . . . 0.1(6) ?
C24 C25 C26 C27 . . . . 0.1(7) ?
C25 C26 C27 C28 . . . . 0.2(6) ?
C26 C27 C28 C23 . . . . -0.6(5) ?
C24 C23 C28 C27 . . . . 0.7(5) ?
C22 C23 C28 C27 . . . . -178.6(3) ?
N1 C29 C30 C31 . . . . 176.8(3) ?
C34 C29 C30 C31 . . . . -58.0(3) ?
C29 C30 C31 C32 . . . . 56.9(5) ?
C30 C31 C32 C33 . . . . -55.3(5) ?
C31 C32 C33 C34 . . . . 55.7(5) ?
N1 C29 C34 C33 . . . . -178.9(3) ?
C30 C29 C34 C33 . . . . 57.1(4) ?
C32 C33 C34 C29 . . . . -56.9(5) ?
O1 C20 N1 C13 . . . . 156.2(2) ?
C21 C20 N1 C13 . . . . -24.3(3) ?
O1 C20 N1 C29 . . . . 4.0(4) ?
C21 C20 N1 C29 . . . . -176.6(2) ?
C14 C13 N1 C20 . . . . -65.3(3) ?
C18 C13 N1 C20 . . . . 113.9(2) ?
C14 C13 N1 C29 . . . . 86.2(3) ?
C18 C13 N1 C29 . . . . -94.6(3) ?
C34 C29 N1 C20 . . . . 162.4(3) ?
C30 C29 N1 C20 . . . . -73.9(3) ?
C34 C29 N1 C13 . . . . 10.3(3) ?
C30 C29 N1 C13 . . . . 134.0(2) ?
C15 C14 O2 C19 . . . . -23.1(4) ?
C13 C14 O2 C19 . . . . 157.4(3) ?
C8 C7 P1 C1 . . . . 76.9(3) ?
C12 C7 P1 C1 . . . . -101.8(3) ?
C8 C7 P1 C18 . . . . -27.6(3) ?
C12 C7 P1 C18 . . . . 153.7(3) ?
C2 C1 P1 C7 . . . . 6.1(3) ?
C6 C1 P1 C7 . . . . -179.0(2) ?
C2 C1 P1 C18 . . . . 110.9(3) ?
C6 C1 P1 C18 . . . . -74.2(2) ?
C17 C18 P1 C7 . . . . 76.8(2) ?
C13 C18 P1 C7 . . . . -100.55(19) ?
C17 C18 P1 C1 . . . . -28.6(2) ?
C13 C18 P1 C1 . . . . 154.12(18) ?
