# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_XRF24062025B_auto
_database_code_depnum_ccdc_archive 'CCDC 2515124'
loop_
_audit_author_name
_audit_author_address
'Chandra Bhushan Tripathi'
;CSIR Central Drug Research Institute
India
;
_audit_update_record             
;
2025-12-11 deposited with the CCDC.	2026-03-17 downloaded from the CCDC.
;
_audit_creation_date             2025-08-06
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_chemical_formula_moiety         'C24 H35 O5 P'
_chemical_formula_sum            'C24 H35 O5 P'
_chemical_formula_weight         434.516
_chemical_oxdiff_formula         'C24 H35 O5  P'
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
C 0.01788 0.00908 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.21560 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.00304 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
O 0.04960 0.03234 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.25080 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
P 0.29730 0.43501 6.43450 4.17910 1.78000 1.49080 1.90670 27.15700 0.52600
68.16450 1.11490 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z+1/2
3 -x,-y,-z
4 x-1/2,-y-1/2,z-1/2

_symmetry_Int_Tables_number      14
_cell_length_a                   9.61485(13)
_cell_length_b                   16.6523(2)
_cell_length_c                   16.0640(2)
_cell_angle_alpha                90
_cell_angle_beta                 94.6663(12)
_cell_angle_gamma                90
_cell_volume                     2563.49(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    11316
_cell_measurement_temperature    296.06(10)
_cell_measurement_theta_max      77.2930
_cell_measurement_theta_min      3.8240
_cell_oxdiff_angle_alpha         89.9992(10)
_cell_oxdiff_angle_beta          94.6620(11)
_cell_oxdiff_angle_gamma         89.9980(11)
_cell_oxdiff_length_a            9.61189(15)
_cell_oxdiff_length_b            16.6554(2)
_cell_oxdiff_length_c            16.0659(2)
_cell_oxdiff_measurement_reflns_used 11316
_cell_oxdiff_volume              2563.48(6)
_exptl_absorpt_coefficient_mu    1.185
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.69399
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.141a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_density_diffrn    1.126
_exptl_crystal_description       block
_exptl_crystal_F_000             940.131
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_diffrn_reflns_av_R_equivalents  0.0321
_diffrn_reflns_av_unetI/netI     0.0270
_diffrn_reflns_Laue_measured_fraction_full 0.9961
_diffrn_reflns_Laue_measured_fraction_max 0.9497
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18209
_diffrn_reflns_point_group_measured_fraction_full 0.9961
_diffrn_reflns_point_group_measured_fraction_max 0.9497
_diffrn_reflns_theta_full        67.6840
_diffrn_reflns_theta_max         77.94
_diffrn_reflns_theta_min         3.83
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      296.06(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.9961
_diffrn_measured_fraction_theta_max 0.9497
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -47.00 -19.00   0.50    0.24    --  -91.75  47.00-136.00   56
  2  ω    -54.00 -27.00   0.50    0.24    --  -91.75  57.00 -60.00   54
  3  ω    -50.00 -24.00   0.50    0.24    --  -91.75  57.00   0.00   52
  4  ω    -50.00 -23.00   0.50    0.24    --  -91.75  57.00  60.00   54
  5  ω    -80.00 -54.00   0.50    0.24    --  -91.75 125.00  60.00   52
  6  ω    -72.00 -47.00   0.50    0.06    --  -47.26 -38.00   0.00   50
  7  ω   -153.00 -91.00   0.50    0.24    --  -91.75 -99.00-180.00  124
  8  ω   -117.00 -85.00   0.50    0.06    --  -47.26 -38.00   0.00   64
  9  ω   -121.00 -89.00   0.50    0.24    --  -91.75 -47.00  74.00   64
 10  ω   -118.00 -35.00   0.50    0.06    --  -47.26 -47.00  74.00  166
 11  ω     15.00  51.00   0.50    0.06    --   47.26 -47.00  74.00   72
 12  ω     37.00  65.00   0.50    0.24    --  109.68 -57.00 150.00   56
 13  ω     37.00 103.00   0.50    0.24    --  109.68 -77.00  90.00  132
 14  ω     39.00  68.00   0.50    0.24    --  109.68 -57.00 -30.00   58
 15  ω     39.00  64.00   0.50    0.24    --  109.68 -57.00 -60.00   50
 16  ω     42.00  68.00   0.50    0.24    --  109.68 -57.00 -90.00   52
 17  ω     37.00 103.00   0.50    0.24    --  109.68 -77.00-120.00  132
 18  ω     38.00  66.00   0.50    0.24    --  109.68 -57.00-180.00   56
 19  ω     45.00 106.00   0.50    0.24    --  109.68 -99.00-180.00  122
 20  ω     54.00 102.00   0.50    0.24    --  109.68 -99.00  60.00   96
 21  ω    -11.00  28.00   0.50    0.06    --  -47.26  19.00   0.00   78
 22  ω    -51.00  24.00   0.50    0.06    --  -47.26  47.00-136.00  150
 23  ω     52.00  77.00   0.50    0.06    --   47.26  47.00-136.00   50
 24  ω    108.00 178.00   0.50    0.24    --  109.68  47.00-136.00  140
 25  ω    153.00 178.00   0.50    0.24    --  109.68  19.00-180.00   50
 26  ω    106.00 132.00   0.50    0.24    --  109.68  19.00-180.00   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0830355000
_diffrn_orient_matrix_UB_12      -0.0464207000
_diffrn_orient_matrix_UB_13      0.0624998000
_diffrn_orient_matrix_UB_21      -0.1376801000
_diffrn_orient_matrix_UB_22      0.0263783000
_diffrn_orient_matrix_UB_23      -0.0480123000
_diffrn_orient_matrix_UB_31      0.0029573000
_diffrn_orient_matrix_UB_32      -0.0755304000
_diffrn_orient_matrix_UB_33      -0.0551782000
_diffrn_oxdiff_digest_hkl        
;
01940478832ac202b9495da292b4c3849c0c01
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              10
_reflns_limit_h_min              -12
_reflns_limit_k_max              20
_reflns_limit_k_min              0
_reflns_limit_l_max              20
_reflns_limit_l_min              -9
_reflns_number_gt                4412
_reflns_number_total             5210
_reflns_threshold_expression     I>=2u(I)
_computing_cell_refinement       'CrysAlisPro 1.171.43.141a (Rigaku OD, 2024)'
_computing_data_collection       'CrysAlisPro 1.171.43.141a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.141a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.2993
_refine_diff_density_min         -0.5425
_refine_diff_density_rms         0.0757
_refine_ls_d_res_high            0.7883
_refine_ls_d_res_low             11.5415
_refine_ls_goodness_of_fit_ref   1.0456
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    54
_refine_ls_number_parameters     281
_refine_ls_number_reflns         5210
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0601
_refine_ls_R_factor_gt           0.0512
_refine_ls_restrained_S_all      1.0456
_refine_ls_shift/su_max          -0.0155
_refine_ls_shift/su_mean         0.0012
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0691P)²+1.1518P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1409
_refine_ls_wR_factor_ref         0.1462
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C3(H3a), C10(H10)
2.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C8(H8), C17(H17), C1d(H1d), C1e(H1e), C1f(H1f), C1g(H1g)
2.c Idealised Me refined as rotating group:
 C14(H14a,H14b,H14c), C15(H15a,H15b,H15c), C16(H16a,H16b,H16c), C18(H18a,H18b,
 H18c), C19(H19a,H19b,H19c), C1a(H1aa,H1ab,H1ac), C1b(H1ba,H1bb,H1bc), C1c(H1ca,
 H1cb,H1cc)
2.d Idealised tetrahedral OH refined as rotating group:
 O2(H2), O3(H3)
;
_atom_sites_solution_primary     iterative
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_refinement_flags_posn
P1 P 0.27831(5) 0.52978(3) 0.42921(3) 0.03888(15) Uani 1.000000 .
O4 O 0.23676(15) 0.45508(8) 0.46968(8) 0.0464(3) Uani 1.000000 .
O O 0.31611(17) 0.60216(8) 0.48929(9) 0.0540(4) Uani 1.000000 .
O2 O -0.00816(16) 0.59947(9) 0.44906(9) 0.0532(4) Uani 1.000000 .
H2 H -0.0781(17) 0.5871(12) 0.4721(10) 0.0798(5) Uiso 1.000000 GR
O1 O 0.41577(15) 0.51601(9) 0.38542(10) 0.0555(4) Uani 1.000000 .
O3 O 0.2490(2) 0.85720(8) 0.18840(10) 0.0629(4) Uani 1.000000 .
H3 H 0.246(4) 0.8526(4) 0.13746(17) 0.0943(7) Uiso 1.000000 GR
C3 C 0.14865(19) 0.56077(10) 0.34726(11) 0.0366(4) Uani 1.000000 .
H3a H 0.15372(19) 0.52032(10) 0.30330(11) 0.0440(4) Uiso 1.000000 R
C4 C 0.2131(2) 0.71272(11) 0.17660(11) 0.0429(4) Uani 1.000000 .
C5 C 0.17710(19) 0.64013(10) 0.30519(11) 0.0369(4) Uani 1.000000 .
C6 C 0.1909(2) 0.64190(10) 0.22009(11) 0.0404(4) Uani 1.000000 .
H6 H 0.1851(2) 0.59379(10) 0.19060(11) 0.0485(5) Uiso 1.000000 R
C7 C 0.2084(2) 0.78492(11) 0.30989(12) 0.0447(4) Uani 1.000000 .
C8 C 0.1852(2) 0.71206(11) 0.34866(12) 0.0432(4) Uani 1.000000 .
H8 H 0.1747(2) 0.71158(11) 0.40571(12) 0.0518(5) Uiso 1.000000 R
C9 C 0.2229(2) 0.78380(11) 0.22353(12) 0.0440(4) Uani 1.000000 .
C10 C -0.00006(19) 0.55213(11) 0.37648(11) 0.0407(4) Uani 1.000000 .
H10 H -0.01464(19) 0.49581(11) 0.39119(11) 0.0488(5) Uiso 1.000000 R
C11 C 0.2250(3) 0.71204(13) 0.08155(13) 0.0630(7) Uani 1.000000 .
C12 C 0.2177(3) 0.86370(12) 0.35971(14) 0.0597(6) Uani 1.000000 .
C13 C -0.1080(2) 0.57495(16) 0.30707(13) 0.0570(6) Uani 1.000000 .
C14 C 0.2776(3) 0.60946(17) 0.57202(15) 0.0743(8) Uani 1.000000 .
H14a H 0.1916(12) 0.6387(11) 0.5719(2) 0.1115(12) Uiso 1.000000 GR
H14b H 0.266(2) 0.55697(17) 0.5951(5) 0.1115(12) Uiso 1.000000 GR
H14c H 0.3494(10) 0.6376(11) 0.6053(3) 0.1115(12) Uiso 1.000000 GR
C15 C 0.5082(2) 0.57842(16) 0.36127(16) 0.0651(6) Uani 1.000000 .
H15a H 0.5574(16) 0.5602(5) 0.3152(8) 0.0976(9) Uiso 1.000000 GR
H15b H 0.4548(3) 0.6254(4) 0.3450(12) 0.0976(9) Uiso 1.000000 GR
H15c H 0.5739(14) 0.5913(9) 0.4076(4) 0.0976(9) Uiso 1.000000 GR
C16 C 0.3629(4) 0.90078(16) 0.35676(18) 0.0796(8) Uani 1.000000 .
H16a H 0.4321(4) 0.8635(6) 0.3793(13) 0.1194(13) Uiso 1.000000 GR
H16b H 0.3791(10) 0.9129(13) 0.2999(2) 0.1194(13) Uiso 1.000000 GR
H16c H 0.3684(9) 0.9493(8) 0.3892(12) 0.1194(13) Uiso 1.000000 GR
C17 C -0.1496(3) 0.5188(3) 0.24674(17) 0.0893(10) Uani 1.000000 .
H17 H -0.1153(3) 0.4666(3) 0.25092(17) 0.1072(12) Uiso 1.000000 R
C18 C 0.1974(5) 0.84899(16) 0.45245(17) 0.0903(11) Uani 1.000000 .
H18a H 0.1048(9) 0.8291(15) 0.4578(2) 0.1354(16) Uiso 1.000000 GR
H18b H 0.2644(17) 0.8102(12) 0.4747(4) 0.1354(16) Uiso 1.000000 GR
H18c H 0.210(3) 0.8985(4) 0.4828(3) 0.1354(16) Uiso 1.000000 GR
C19 C 0.1068(4) 0.76098(17) 0.03659(17) 0.0852(9) Uani 1.000000 .
H19a H 0.0185(4) 0.7398(10) 0.0502(12) 0.1278(14) Uiso 1.000000 GR
H19b H 0.1145(16) 0.8160(3) 0.0541(12) 0.1278(14) Uiso 1.000000 GR
H19c H 0.1131(16) 0.7578(12) -0.02265(19) 0.1278(14) Uiso 1.000000 GR
C1a C 0.1049(4) 0.92253(15) 0.3254(2) 0.0814(8) Uani 1.000000 .
H1aa H 0.1181(15) 0.9345(11) 0.2682(5) 0.1221(13) Uiso 1.000000 GR
H1ab H 0.0146(4) 0.8988(6) 0.3290(14) 0.1221(13) Uiso 1.000000 GR
H1ac H 0.1113(17) 0.9711(6) 0.3576(10) 0.1221(13) Uiso 1.000000 GR
C1b C 0.2104(5) 0.62642(16) 0.04629(17) 0.1124(16) Uani 1.000000 .
H1ba H 0.2875(19) 0.5943(6) 0.0687(17) 0.169(2) Uiso 1.000000 GR
H1bb H 0.1247(17) 0.6032(8) 0.0616(18) 0.169(2) Uiso 1.000000 GR
H1bc H 0.210(4) 0.6282(3) -0.0135(2) 0.169(2) Uiso 1.000000 GR
C1c C 0.3685(4) 0.7450(2) 0.0619(2) 0.1005(12) Uani 1.000000 .
H1ca H 0.3798(13) 0.7985(7) 0.0836(15) 0.1508(18) Uiso 1.000000 GR
H1cb H 0.4408(4) 0.7111(10) 0.0872(15) 0.1508(18) Uiso 1.000000 GR
H1cc H 0.3741(12) 0.7459(16) 0.0025(2) 0.1508(18) Uiso 1.000000 GR
C1d C -0.1618(3) 0.6523(2) 0.3014(2) 0.0876(10) Uani 1.000000 .
H1d H -0.1346(3) 0.6903(2) 0.3420(2) 0.1051(12) Uiso 1.000000 R
C1e C -0.2571(5) 0.6726(4) 0.2345(3) 0.138(2) Uani 1.000000 .
H1e H -0.2951(5) 0.7239(4) 0.2306(3) 0.165(2) Uiso 1.000000 R
C1f C -0.2434(4) 0.5405(5) 0.1794(2) 0.140(2) Uani 1.000000 .
H1f H -0.2708(4) 0.5033(5) 0.1381(2) 0.168(3) Uiso 1.000000 R
C1g C -0.2939(5) 0.6164(5) 0.1750(3) 0.156(3) Uani 1.000000 .
H1g H -0.3557(5) 0.6307(5) 0.1299(3) 0.188(3) Uiso 1.000000 R


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
P1 O4 1.4736(13) . ?
P1 O 1.5682(14) . ?
P1 O1 1.5638(14) . ?
P1 C3 1.8129(19) . ?
O C14 1.414(3) . ?
O2 H2 0.8200 . ?
O2 C10 1.415(2) . ?
O1 C15 1.441(3) . ?
O3 H3 0.8200 . ?
O3 C9 1.378(2) . ?
C3 H3a 0.9800 . ?
C3 C5 1.519(2) . ?
C3 C10 1.547(2) . ?
C4 C6 1.396(2) . ?
C4 C9 1.402(3) . ?
C4 C11 1.540(3) . ?
C5 C6 1.385(2) . ?
C5 C8 1.385(2) . ?
C6 H6 0.9300 . ?
C7 C8 1.390(2) . ?
C7 C9 1.406(3) . ?
C7 C12 1.536(3) . ?
C8 H8 0.9300 . ?
C10 H10 0.9800 . ?
C10 C13 1.509(3) . ?
C11 C19 1.531(4) . ?
C11 C1b 1.537(4) . ?
C11 C1c 1.540(4) . ?
C12 C16 1.530(4) . ?
C12 C18 1.538(3) . ?
C12 C1a 1.530(4) . ?
C13 C17 1.382(4) . ?
C13 C1d 1.388(4) . ?
C14 H14a 0.9600 . ?
C14 H14b 0.9600 . ?
C14 H14c 0.9600 . ?
C15 H15a 0.9600 . ?
C15 H15b 0.9600 . ?
C15 H15c 0.9600 . ?
C16 H16a 0.9600 . ?
C16 H16b 0.9600 . ?
C16 H16c 0.9600 . ?
C17 H17 0.9300 . ?
C17 C1f 1.399(5) . ?
C18 H18a 0.9600 . ?
C18 H18b 0.9600 . ?
C18 H18c 0.9600 . ?
C19 H19a 0.9600 . ?
C19 H19b 0.9600 . ?
C19 H19c 0.9600 . ?
C1a H1aa 0.9600 . ?
C1a H1ab 0.9600 . ?
C1a H1ac 0.9600 . ?
C1b H1ba 0.9600 . ?
C1b H1bb 0.9600 . ?
C1b H1bc 0.9600 . ?
C1c H1ca 0.9600 . ?
C1c H1cb 0.9600 . ?
C1c H1cc 0.9600 . ?
C1d H1d 0.9300 . ?
C1d C1e 1.396(5) . ?
C1e H1e 0.9300 . ?
C1e C1g 1.364(9) . ?
C1f H1f 0.9300 . ?
C1f C1g 1.353(8) . ?
C1g H1g 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
O P1 O4 115.78(8) . . ?
O1 P1 O4 110.13(8) . . ?
O1 P1 O 103.15(8) . . ?
C3 P1 O4 111.44(8) . . ?
C3 P1 O 109.84(8) . . ?
C3 P1 O1 105.75(8) . . ?
C14 O P1 125.41(14) . . ?
C10 O2 H2 109.5 . . ?
C15 O1 P1 125.28(15) . . ?
C9 O3 H3 109.5 . . ?
H3a C3 P1 104.84(6) . . ?
C5 C3 P1 115.63(13) . . ?
C5 C3 H3a 104.84(9) . . ?
C10 C3 P1 110.55(12) . . ?
C10 C3 H3a 104.84(9) . . ?
C10 C3 C5 114.84(15) . . ?
C9 C4 C6 116.76(16) . . ?
C11 C4 C6 121.10(17) . . ?
C11 C4 C9 122.13(17) . . ?
C6 C5 C3 119.53(15) . . ?
C8 C5 C3 122.18(15) . . ?
C8 C5 C6 118.25(15) . . ?
C5 C6 C4 122.88(16) . . ?
H6 C6 C4 118.56(11) . . ?
H6 C6 C5 118.56(10) . . ?
C9 C7 C8 117.58(17) . . ?
C12 C7 C8 121.12(17) . . ?
C12 C7 C9 121.29(16) . . ?
C7 C8 C5 122.22(17) . . ?
H8 C8 C5 118.89(10) . . ?
H8 C8 C7 118.89(11) . . ?
C4 C9 O3 122.35(17) . . ?
C7 C9 O3 115.37(17) . . ?
C7 C9 C4 122.28(16) . . ?
C3 C10 O2 108.20(15) . . ?
H10 C10 O2 108.42(9) . . ?
H10 C10 C3 108.42(9) . . ?
C13 C10 O2 112.84(17) . . ?
C13 C10 C3 110.45(14) . . ?
C13 C10 H10 108.42(12) . . ?
C19 C11 C4 110.6(2) . . ?
C1b C11 C4 111.11(18) . . ?
C1b C11 C19 106.1(3) . . ?
C1c C11 C4 109.9(2) . . ?
C1c C11 C19 110.9(2) . . ?
C1c C11 C1b 108.2(3) . . ?
C16 C12 C7 110.1(2) . . ?
C18 C12 C7 111.23(17) . . ?
C18 C12 C16 106.4(2) . . ?
C1a C12 C7 110.5(2) . . ?
C1a C12 C16 110.6(2) . . ?
C1a C12 C18 108.0(2) . . ?
C17 C13 C10 119.4(2) . . ?
C1d C13 C10 120.8(2) . . ?
C1d C13 C17 119.8(3) . . ?
H14a C14 O 109.5 . . ?
H14b C14 O 109.5 . . ?
H14b C14 H14a 109.5 . . ?
H14c C14 O 109.5 . . ?
H14c C14 H14a 109.5 . . ?
H14c C14 H14b 109.5 . . ?
H15a C15 O1 109.5 . . ?
H15b C15 O1 109.5 . . ?
H15b C15 H15a 109.5 . . ?
H15c C15 O1 109.5 . . ?
H15c C15 H15a 109.5 . . ?
H15c C15 H15b 109.5 . . ?
H16a C16 C12 109.5 . . ?
H16b C16 C12 109.5 . . ?
H16b C16 H16a 109.5 . . ?
H16c C16 C12 109.5 . . ?
H16c C16 H16a 109.5 . . ?
H16c C16 H16b 109.5 . . ?
H17 C17 C13 120.03(19) . . ?
C1f C17 C13 119.9(4) . . ?
C1f C17 H17 120.0(3) . . ?
H18a C18 C12 109.5 . . ?
H18b C18 C12 109.5 . . ?
H18b C18 H18a 109.5 . . ?
H18c C18 C12 109.5 . . ?
H18c C18 H18a 109.5 . . ?
H18c C18 H18b 109.5 . . ?
H19a C19 C11 109.5 . . ?
H19b C19 C11 109.5 . . ?
H19b C19 H19a 109.5 . . ?
H19c C19 C11 109.5 . . ?
H19c C19 H19a 109.5 . . ?
H19c C19 H19b 109.5 . . ?
H1aa C1a C12 109.5 . . ?
H1ab C1a C12 109.5 . . ?
H1ab C1a H1aa 109.5 . . ?
H1ac C1a C12 109.5 . . ?
H1ac C1a H1aa 109.5 . . ?
H1ac C1a H1ab 109.5 . . ?
H1ba C1b C11 109.5 . . ?
H1bb C1b C11 109.5 . . ?
H1bb C1b H1ba 109.5 . . ?
H1bc C1b C11 109.5 . . ?
H1bc C1b H1ba 109.5 . . ?
H1bc C1b H1bb 109.5 . . ?
H1ca C1c C11 109.5 . . ?
H1cb C1c C11 109.5 . . ?
H1cb C1c H1ca 109.5 . . ?
H1cc C1c C11 109.5 . . ?
H1cc C1c H1ca 109.5 . . ?
H1cc C1c H1cb 109.5 . . ?
H1d C1d C13 120.24(19) . . ?
C1e C1d C13 119.5(4) . . ?
C1e C1d H1d 120.2(3) . . ?
H1e C1e C1d 120.3(3) . . ?
C1g C1e C1d 119.4(5) . . ?
C1g C1e H1e 120.3(3) . . ?
H1f C1f C17 120.4(3) . . ?
C1g C1f C17 119.2(5) . . ?
C1g C1f H1f 120.4(3) . . ?
C1f C1g C1e 122.2(4) . . ?
H1g C1g C1e 118.9(3) . . ?
H1g C1g C1f 118.9(3) . . ?

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 C3 C5 C6 120.18(14) . . . . ?
P1 C3 C5 C8 -62.07(16) . . . . ?
P1 C3 C10 O2 58.19(12) . . . . ?
P1 C3 C10 C13 -177.84(15) . . . . ?
O4 P1 O C14 -18.70(19) . . . . ?
O4 P1 O1 C15 -160.85(15) . . . . ?
O4 P1 C3 C5 176.27(11) . . . . ?
O4 P1 C3 C10 43.63(10) . . . . ?
O P1 O1 C15 -36.71(15) . . . . ?
O P1 C3 C5 46.60(10) . . . . ?
O P1 C3 C10 -86.04(11) . . . . ?
O2 C10 C3 C5 -74.85(16) . . . . ?
O2 C10 C13 C17 -155.73(19) . . . . ?
O2 C10 C13 C1d 26.7(2) . . . . ?
O1 P1 O C14 -139.05(19) . . . . ?
O1 P1 C3 C5 -64.08(10) . . . . ?
O1 P1 C3 C10 163.28(11) . . . . ?
O3 C9 C4 C6 178.0(2) . . . . ?
O3 C9 C4 C11 -2.4(3) . . . . ?
O3 C9 C7 C8 -178.57(19) . . . . ?
O3 C9 C7 C12 1.5(2) . . . . ?
C3 P1 O C14 108.58(19) . . . . ?
C3 P1 O1 C15 78.63(15) . . . . ?
C3 C5 C6 C4 178.11(17) . . . . ?
C3 C5 C8 C7 -178.67(18) . . . . ?
C3 C10 C13 C17 83.0(2) . . . . ?
C3 C10 C13 C1d -94.6(2) . . . . ?
C4 C6 C5 C8 0.3(2) . . . . ?
C4 C9 C7 C8 0.7(2) . . . . ?
C4 C9 C7 C12 -179.2(2) . . . . ?
C5 C3 C10 C13 49.11(18) . . . . ?
C5 C6 C4 C9 0.8(2) . . . . ?
C5 C6 C4 C11 -178.8(2) . . . . ?
C5 C8 C7 C9 0.4(2) . . . . ?
C5 C8 C7 C12 -179.7(2) . . . . ?
C6 C4 C9 C7 -1.3(2) . . . . ?
C6 C4 C11 C19 117.2(2) . . . . ?
C6 C4 C11 C1b -0.4(3) . . . . ?
C6 C4 C11 C1c -120.1(2) . . . . ?
C6 C5 C3 C10 -109.20(18) . . . . ?
C6 C5 C8 C7 -0.9(2) . . . . ?
C7 C9 C4 C11 178.3(2) . . . . ?
C8 C5 C3 C10 68.5(2) . . . . ?
C8 C7 C12 C16 117.3(2) . . . . ?
C8 C7 C12 C18 -0.4(3) . . . . ?
C8 C7 C12 C1a -120.3(2) . . . . ?
C9 C4 C11 C19 -62.4(2) . . . . ?
C9 C4 C11 C1b -179.9(3) . . . . ?
C9 C4 C11 C1c 60.3(2) . . . . ?
C9 C7 C12 C16 -62.8(2) . . . . ?
C9 C7 C12 C18 179.6(3) . . . . ?
C9 C7 C12 C1a 59.7(2) . . . . ?
C10 C13 C17 C1f -176.3(3) . . . . ?
C10 C13 C1d C1e 177.3(3) . . . . ?
C13 C17 C1f C1g -1.0(4) . . . . ?
C13 C1d C1e C1g -1.1(4) . . . . ?
C17 C13 C1d C1e -0.3(3) . . . . ?
C17 C1f C1g C1e -0.5(5) . . . . ?
C1d C13 C17 C1f 1.3(3) . . . . ?
C1d C1e C1g C1f 1.5(5) . . . . ?


_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 1.402
_oxdiff_exptl_absorpt_empirical_full_min 0.721
