# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# 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. 
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#######################################################################

data_wumingy_0615_auto
_database_code_depnum_ccdc_archive 'CCDC 2279951'
loop_
_audit_author_name
_audit_author_address
'Bai Chunyuan'
;Lanzhou University
China
;
_audit_update_record             
;
2023-07-07 deposited with the CCDC.	2024-06-16 downloaded from the CCDC.
;
_audit_creation_date             2023-06-19
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H24 Cl O4 P'
_chemical_formula_sum            'C20 H24 Cl O4 P'
_chemical_formula_weight         394.81
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   25.4378(10)
_cell_length_b                   8.1475(2)
_cell_length_c                   21.1676(8)
_cell_angle_alpha                90
_cell_angle_beta                 114.232(5)
_cell_angle_gamma                90
_cell_volume                     4000.5(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    12116
_cell_measurement_temperature    149.99(13)
_cell_measurement_theta_max      30.5670
_cell_measurement_theta_min      2.1130
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.293
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76458
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.93a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1664
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0306
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.808
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            20883
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.808
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.813
_diffrn_reflns_theta_min         1.756
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      149.99(13)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.808
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -30.00  43.00   0.50    2.15    --   -6.19  79.00 -51.00  146
  2  ω    -16.00  17.00   0.50    2.15    --   -6.19 -79.00-175.00   66
  3  ω    -80.00 -39.00   0.50    2.15    --   -6.19 -19.00 -30.00   82
  4  ω    -30.00  -5.00   0.50    2.15    --   -6.19 -19.00 -30.00   50
  5  ω    -16.00  37.00   0.50    2.15    --    4.00 -99.00  90.00  106
  6  ω    -13.00  32.00   0.50    2.15    --    4.00 -99.00 150.00   90
  7  ω    -10.00  32.00   0.50    2.15    --    4.00 -99.00 -90.00   84
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0255062000
_diffrn_orient_matrix_UB_12      0.0299047000
_diffrn_orient_matrix_UB_13      -0.0018706000
_diffrn_orient_matrix_UB_21      -0.0155754000
_diffrn_orient_matrix_UB_22      0.0678396000
_diffrn_orient_matrix_UB_23      -0.0199134000
_diffrn_orient_matrix_UB_31      0.0064384000
_diffrn_orient_matrix_UB_32      0.0456035000
_diffrn_orient_matrix_UB_33      0.0308377000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3887
_reflns_number_total             5081
_reflns_odcompleteness_completeness 99.86
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.93a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.93a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.93a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.320
_refine_diff_density_min         -0.352
_refine_diff_density_rms         0.061
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     238
_refine_ls_number_reflns         5081
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0589
_refine_ls_R_factor_gt           0.0396
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0484P)²+4.6898P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1000
_refine_ls_wR_factor_ref         0.1127
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C6(H6), C16(H16)
2.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C5(H5A,H5B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C9(H9), C10(H10), C11(H11), C12(H12), C13(H13), C14(H14), C17(H17),
 C20(H20)
2.d Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C15(H15A,H15B,H15C), C19(H19A,H19B,H19C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Cl1 Cl 0.68900(2) 1.04313(5) 0.61370(2) 0.03706(13) Uani 1 1 d . . . . .
P1 P 0.73459(2) 0.53888(5) 0.58459(2) 0.02366(11) Uani 1 1 d . . . . .
O1 O 0.75736(5) 0.40515(15) 0.64292(6) 0.0302(3) Uani 1 1 d . . . . .
O2 O 0.76879(6) 0.55483(15) 0.54338(6) 0.0338(3) Uani 1 1 d . . . . .
O3 O 0.60674(6) 0.73255(18) 0.59671(7) 0.0409(3) Uani 1 1 d . . . . .
O4 O 0.66953(5) 0.49348(17) 0.54144(6) 0.0349(3) Uani 1 1 d . . . . .
C1 C 0.78516(7) 0.79477(19) 0.67367(8) 0.0240(3) Uani 1 1 d . . . . .
C2 C 0.55132(10) 0.9265(3) 0.36645(11) 0.0539(6) Uani 1 1 d . . . . .
H2 H 0.561847 0.958737 0.330075 0.065 Uiso 1 1 calc R U . . .
C3 C 0.81235(8) 0.3229(2) 0.66280(10) 0.0394(4) Uani 1 1 d . . . . .
H3A H 0.826519 0.337651 0.626038 0.047 Uiso 1 1 calc R U . . .
H3B H 0.807455 0.203816 0.668058 0.047 Uiso 1 1 calc R U . . .
C4 C 0.57859(7) 0.8396(2) 0.48370(9) 0.0296(4) Uani 1 1 d . . . . .
C5 C 0.65323(9) 0.3727(2) 0.48608(9) 0.0380(4) Uani 1 1 d . . . . .
H5A H 0.672854 0.266916 0.504030 0.046 Uiso 1 1 calc R U . . .
H5B H 0.664193 0.411117 0.448787 0.046 Uiso 1 1 calc R U . . .
C6 C 0.72668(7) 0.72212(19) 0.62894(8) 0.0234(3) Uani 1 1 d . . . . .
H6 H 0.708339 0.687942 0.660572 0.028 Uiso 1 1 calc R U . . .
C7 C 0.94951(8) 1.0103(3) 0.80554(11) 0.0444(5) Uani 1 1 d . . . . .
H7A H 0.978734 0.923820 0.823038 0.067 Uiso 1 1 calc R U . . .
H7B H 0.946038 1.066367 0.844616 0.067 Uiso 1 1 calc R U . . .
H7C H 0.960938 1.089570 0.778688 0.067 Uiso 1 1 calc R U . . .
C8 C 0.62163(7) 0.7957(2) 0.55452(9) 0.0286(3) Uani 1 1 d . . . . .
C9 C 0.47866(9) 0.8691(4) 0.40636(13) 0.0650(7) Uani 1 1 d . . . . .
H9 H 0.439085 0.863782 0.398223 0.078 Uiso 1 1 calc R U . . .
C10 C 0.80035(7) 0.8175(2) 0.74424(8) 0.0296(4) Uani 1 1 d . . . . .
H10 H 0.774451 0.784580 0.763839 0.036 Uiso 1 1 calc R U . . .
C11 C 0.59369(8) 0.8897(3) 0.43117(10) 0.0385(4) Uani 1 1 d . . . . .
H11 H 0.633201 0.898984 0.439403 0.046 Uiso 1 1 calc R U . . .
C12 C 0.82390(7) 0.8437(2) 0.64646(9) 0.0286(3) Uani 1 1 d . . . . .
H12 H 0.814203 0.830945 0.598354 0.034 Uiso 1 1 calc R U . . .
C13 C 0.52061(8) 0.8284(3) 0.47082(12) 0.0507(6) Uani 1 1 d . . . . .
H13 H 0.509683 0.792587 0.506430 0.061 Uiso 1 1 calc R U . . .
C14 C 0.87684(8) 0.9113(2) 0.68924(9) 0.0322(4) Uani 1 1 d . . . . .
H14 H 0.903141 0.942036 0.669899 0.039 Uiso 1 1 calc R U . . .
C15 C 0.85540(9) 0.3908(3) 0.72941(11) 0.0488(5) Uani 1 1 d . . . . .
H15A H 0.861168 0.507887 0.723680 0.073 Uiso 1 1 calc R U . . .
H15B H 0.892093 0.332566 0.742604 0.073 Uiso 1 1 calc R U . . .
H15C H 0.841227 0.376671 0.765685 0.073 Uiso 1 1 calc R U . . .
C16 C 0.68510(7) 0.8419(2) 0.57571(8) 0.0253(3) Uani 1 1 d . . . . .
H16 H 0.693976 0.849163 0.533938 0.030 Uiso 1 1 calc R U . . .
C17 C 0.49398(10) 0.9167(3) 0.35457(12) 0.0573(6) Uani 1 1 d . . . . .
H17 H 0.465076 0.943210 0.310196 0.069 Uiso 1 1 calc R U . . .
C18 C 0.89216(7) 0.9350(2) 0.75972(9) 0.0324(4) Uani 1 1 d . . . . .
C19 C 0.58926(10) 0.3521(4) 0.45899(14) 0.0681(8) Uani 1 1 d . . . . .
H19A H 0.576326 0.273336 0.420631 0.102 Uiso 1 1 calc R U . . .
H19B H 0.570445 0.458181 0.442474 0.102 Uiso 1 1 calc R U . . .
H19C H 0.579113 0.311458 0.496108 0.102 Uiso 1 1 calc R U . . .
C20 C 0.85287(8) 0.8876(2) 0.78626(9) 0.0347(4) Uani 1 1 d . . . . .
H20 H 0.862084 0.903404 0.834111 0.042 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
Cl1 C16 1.8106(17) . ?
P1 O1 1.5684(12) . ?
P1 O2 1.4690(12) . ?
P1 O4 1.5714(12) . ?
P1 C6 1.8182(16) . ?
O1 C3 1.449(2) . ?
O3 C8 1.218(2) . ?
O4 C5 1.454(2) . ?
C1 C6 1.518(2) . ?
C1 C10 1.393(2) . ?
C1 C12 1.388(2) . ?
C2 H2 0.9500 . ?
C2 C11 1.384(3) . ?
C2 C17 1.377(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C15 1.492(3) . ?
C4 C8 1.492(2) . ?
C4 C11 1.379(3) . ?
C4 C13 1.389(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C19 1.496(3) . ?
C6 H6 1.0000 . ?
C6 C16 1.537(2) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C7 C18 1.511(2) . ?
C8 C16 1.535(2) . ?
C9 H9 0.9500 . ?
C9 C13 1.384(3) . ?
C9 C17 1.362(4) . ?
C10 H10 0.9500 . ?
C10 C20 1.388(2) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C12 C14 1.391(2) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C14 C18 1.392(3) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16 1.0000 . ?
C17 H17 0.9500 . ?
C18 C20 1.387(3) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20 0.9500 . ?

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
O1 P1 O4 104.75(7) . . ?
O1 P1 C6 104.32(7) . . ?
O2 P1 O1 114.31(7) . . ?
O2 P1 O4 114.50(7) . . ?
O2 P1 C6 116.88(7) . . ?
O4 P1 C6 100.37(7) . . ?
C3 O1 P1 123.40(12) . . ?
C5 O4 P1 120.78(12) . . ?
C10 C1 C6 119.35(15) . . ?
C12 C1 C6 122.28(14) . . ?
C12 C1 C10 118.35(15) . . ?
C11 C2 H2 119.9 . . ?
C17 C2 H2 119.9 . . ?
C17 C2 C11 120.3(2) . . ?
O1 C3 H3A 109.6 . . ?
O1 C3 H3B 109.6 . . ?
O1 C3 C15 110.45(16) . . ?
H3A C3 H3B 108.1 . . ?
C15 C3 H3A 109.6 . . ?
C15 C3 H3B 109.6 . . ?
C11 C4 C8 123.28(15) . . ?
C11 C4 C13 119.09(18) . . ?
C13 C4 C8 117.63(17) . . ?
O4 C5 H5A 110.3 . . ?
O4 C5 H5B 110.3 . . ?
O4 C5 C19 106.87(18) . . ?
H5A C5 H5B 108.6 . . ?
C19 C5 H5A 110.3 . . ?
C19 C5 H5B 110.3 . . ?
P1 C6 H6 107.3 . . ?
C1 C6 P1 110.75(11) . . ?
C1 C6 H6 107.3 . . ?
C1 C6 C16 114.39(13) . . ?
C16 C6 P1 109.37(10) . . ?
C16 C6 H6 107.3 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C18 C7 H7A 109.5 . . ?
C18 C7 H7B 109.5 . . ?
C18 C7 H7C 109.5 . . ?
O3 C8 C4 121.13(15) . . ?
O3 C8 C16 119.73(15) . . ?
C4 C8 C16 119.01(14) . . ?
C13 C9 H9 119.9 . . ?
C17 C9 H9 119.9 . . ?
C17 C9 C13 120.1(2) . . ?
C1 C10 H10 119.6 . . ?
C20 C10 C1 120.81(16) . . ?
C20 C10 H10 119.6 . . ?
C2 C11 H11 120.0 . . ?
C4 C11 C2 120.05(19) . . ?
C4 C11 H11 120.0 . . ?
C1 C12 H12 119.8 . . ?
C1 C12 C14 120.39(15) . . ?
C14 C12 H12 119.8 . . ?
C4 C13 H13 119.8 . . ?
C9 C13 C4 120.3(2) . . ?
C9 C13 H13 119.8 . . ?
C12 C14 H14 119.2 . . ?
C12 C14 C18 121.52(16) . . ?
C18 C14 H14 119.2 . . ?
C3 C15 H15A 109.5 . . ?
C3 C15 H15B 109.5 . . ?
C3 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Cl1 C16 H16 110.4 . . ?
C6 C16 Cl1 110.70(11) . . ?
C6 C16 H16 110.4 . . ?
C8 C16 Cl1 102.20(11) . . ?
C8 C16 C6 112.53(13) . . ?
C8 C16 H16 110.4 . . ?
C2 C17 H17 120.0 . . ?
C9 C17 C2 120.1(2) . . ?
C9 C17 H17 120.0 . . ?
C14 C18 C7 121.06(17) . . ?
C20 C18 C7 121.28(17) . . ?
C20 C18 C14 117.65(16) . . ?
C5 C19 H19A 109.5 . . ?
C5 C19 H19B 109.5 . . ?
C5 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C10 C20 H20 119.4 . . ?
C18 C20 C10 121.26(16) . . ?
C18 C20 H20 119.4 . . ?

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
P1 O1 C3 C15 103.64(18) . . . . ?
P1 O4 C5 C19 176.80(16) . . . . ?
P1 C6 C16 Cl1 -166.47(8) . . . . ?
P1 C6 C16 C8 79.87(14) . . . . ?
O1 P1 O4 C5 -84.81(14) . . . . ?
O1 P1 C6 C1 73.42(12) . . . . ?
O1 P1 C6 C16 -159.61(10) . . . . ?
O2 P1 O1 C3 9.86(16) . . . . ?
O2 P1 O4 C5 41.19(16) . . . . ?
O2 P1 C6 C1 -53.86(13) . . . . ?
O2 P1 C6 C16 73.11(13) . . . . ?
O3 C8 C16 Cl1 -85.20(17) . . . . ?
O3 C8 C16 C6 33.6(2) . . . . ?
O4 P1 O1 C3 135.98(13) . . . . ?
O4 P1 C6 C1 -178.29(11) . . . . ?
O4 P1 C6 C16 -51.32(12) . . . . ?
C1 C6 C16 Cl1 -41.59(16) . . . . ?
C1 C6 C16 C8 -155.25(13) . . . . ?
C1 C10 C20 C18 -0.9(3) . . . . ?
C1 C12 C14 C18 -1.3(3) . . . . ?
C4 C8 C16 Cl1 90.73(15) . . . . ?
C4 C8 C16 C6 -150.50(15) . . . . ?
C6 P1 O1 C3 -118.99(14) . . . . ?
C6 P1 O4 C5 167.24(13) . . . . ?
C6 C1 C10 C20 -178.29(15) . . . . ?
C6 C1 C12 C14 179.33(15) . . . . ?
C7 C18 C20 C10 -179.59(17) . . . . ?
C8 C4 C11 C2 179.22(19) . . . . ?
C8 C4 C13 C9 179.3(2) . . . . ?
C10 C1 C6 P1 -123.35(14) . . . . ?
C10 C1 C6 C16 112.50(16) . . . . ?
C10 C1 C12 C14 1.0(2) . . . . ?
C11 C2 C17 C9 -0.6(4) . . . . ?
C11 C4 C8 O3 -170.65(18) . . . . ?
C11 C4 C8 C16 13.5(3) . . . . ?
C11 C4 C13 C9 -0.8(3) . . . . ?
C12 C1 C6 P1 58.30(18) . . . . ?
C12 C1 C6 C16 -65.9(2) . . . . ?
C12 C1 C10 C20 0.1(3) . . . . ?
C12 C14 C18 C7 -179.31(17) . . . . ?
C12 C14 C18 C20 0.5(3) . . . . ?
C13 C4 C8 O3 9.2(3) . . . . ?
C13 C4 C8 C16 -166.67(17) . . . . ?
C13 C4 C11 C2 -0.6(3) . . . . ?
C13 C9 C17 C2 -0.8(4) . . . . ?
C14 C18 C20 C10 0.6(3) . . . . ?
C17 C2 C11 C4 1.4(4) . . . . ?
C17 C9 C13 C4 1.6(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.304
_oxdiff_exptl_absorpt_empirical_full_min 0.630
