# Supplementary Information (SI) for Chemical Science.
# 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_20251215ld-129-1_auto
_database_code_depnum_ccdc_archive 'CCDC 2521916'
loop_
_audit_author_name
_audit_author_address
'Dan Liu'
;Shanghai Jiao Tong University
China
;
_audit_update_record             
;
2026-01-12 deposited with the CCDC.	2026-06-11 downloaded from the CCDC.
;
_audit_creation_date             2025-12-16
_audit_creation_method           
;
Olex2 1.5-ac6-020
(compiled 2024.02.14 svn.r2f8d729c for Rigaku Oxford Diffraction, GUI svn.r6966)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H22 N O6 P'
_chemical_formula_sum            'C23 H22 N O6 P'
_chemical_formula_weight         439.38
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHNOPCl
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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.3493(4)
_cell_length_b                   8.8307(5)
_cell_length_c                   16.1540(9)
_cell_angle_alpha                76.690(5)
_cell_angle_beta                 84.882(4)
_cell_angle_gamma                86.571(5)
_cell_volume                     1015.32(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8726
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      75.2760
_cell_measurement_theta_min      2.8080
_shelx_estimated_absorpt_T_max   0.834
_shelx_estimated_absorpt_T_min   0.788
_exptl_absorpt_coefficient_mu    1.568
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.92163
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.144a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.437
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             460
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0222
_diffrn_reflns_av_unetI/netI     0.0247
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.940
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13038
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.940
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.480
_diffrn_reflns_theta_min         2.819
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 150'
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -101.00 -60.00   0.50    0.05    --  -63.28 -15.00 150.00   82
  2  ω   -111.00 -78.00   0.50    0.05    --  -75.07 -15.00 150.00   66
  3  ω   -115.00 -90.00   0.50    0.05    --  -75.07 -15.00  90.00   50
  4  ω   -105.00 -80.00   0.50    0.05    --  -75.07 -15.00  60.00   50
  5  ω   -119.00 -76.00   0.50    0.05    --  -80.86 -15.00  30.00   86
  6  ω   -119.00 -76.00   0.50    0.05    --  -80.86 -15.00 120.00   86
  7  ω   -118.00 -93.00   0.50    0.05    --  -80.86 -15.00   0.00   50
  8  ω   -112.00 -68.00   0.50    0.05    --  -72.79 -15.00 -60.00   88
  9  ω   -103.00 -77.00   0.50    0.05    --  -80.86 -15.00 -90.00   52
 10  ω   -112.00 -79.00   0.50    0.05    --  -80.86 -15.00-120.00   66
 11  ω    -99.00 -47.00   0.50    0.05    --  -76.00 136.00 -15.17  104
 12  ω    -89.00 -45.00   0.50    0.05    --  -75.07 125.00 120.00   88
 13  ω    -76.00 -29.00   0.50    0.05    --  -63.28 125.00 -60.00   94
 14  ω    -96.00 -54.00   0.50    0.05    --  -80.86 125.00 -30.00   84
 15  ω    -96.00 -45.00   0.50    0.05    --  -80.86 125.00 -60.00  102
 16  ω    -95.00 -69.00   0.50    0.05    --  -80.86 125.00 -90.00   52
 17  ω    -96.00 -54.00   0.50    0.05    --  -80.86 125.00-120.00   84
 18  ω    -96.00 -69.00   0.50    0.05    --  -80.86 125.00-150.00   54
 19  ω    -95.00 -69.00   0.50    0.05    --  -80.86 125.00-180.00   52
 20  ω    -62.00 -27.00   0.50    0.05    --  -63.28 125.00-180.00   70
 21  ω    -96.00 -49.00   0.50    0.05    --  -80.86 125.00  30.00   94
 22  ω    -87.00 -54.00   0.50    0.05    --  -72.79 124.00  61.00   66
 23  ω    -89.00 -64.00   0.50    0.05    --  -75.07 124.00  61.00   50
 24  ω    -84.00 -59.00   0.50    0.05    --  -80.86 124.00  61.00   50
 25  ω    -69.00 -26.00   0.50    0.05    --  -63.28 124.00  61.00   86
 26  ω    -92.00 -66.00   0.50    0.05    --  -80.86 125.00  90.00   52
 27  ω    -96.00 -54.00   0.50    0.05    --  -80.86 125.00 150.00   84
 28  ω     60.00  91.00   0.50    0.05    --   63.97  15.00  30.00   62
 29  ω     81.00 112.00   0.50    0.05    --   76.88  15.00 120.00   62
 30  ω     71.00 112.00   0.50    0.05    --   76.88  15.00  60.00   82
 31  ω     70.00 116.00   0.50    0.05    --   76.88  15.00 -60.00   92
 32  ω     69.00  99.00   0.50    0.05    --   71.75  15.00 -90.00   60
 33  ω     65.00  94.00   0.50    0.05    --   71.75  15.00-180.00   58
 34  ω     37.00  62.00   0.50    0.05    --   71.75-124.00 -17.00   50
 35  ω     29.00  55.00   0.50    0.05    --   63.97-125.00-150.00   52
 36  ω     49.00  91.00   0.50    0.05    --   76.88-125.00-180.00   84
 37  ω     50.00  91.00   0.50    0.05    --   76.88-125.00 -90.00   82
 38  ω     47.00  72.00   0.50    0.05    --   76.88-125.00 -60.00   50
 39  ω     54.00  90.00   0.50    0.05    --   76.88-124.00 -17.00   72
 40  ω     27.00  53.00   0.50    0.05    --   63.97-124.00 -17.00   52
 41  ω     29.00  79.00   0.50    0.05    --   63.97-125.00  90.00  100
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom DW system, HyPix-Arc 150'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0461603000
_diffrn_orient_matrix_UB_12      0.0978491000
_diffrn_orient_matrix_UB_13      -0.0907368000
_diffrn_orient_matrix_UB_21      -0.1106338000
_diffrn_orient_matrix_UB_22      -0.1084440000
_diffrn_orient_matrix_UB_23      -0.0368093000
_diffrn_orient_matrix_UB_31      -0.1731913000
_diffrn_orient_matrix_UB_32      0.1041930000
_diffrn_orient_matrix_UB_33      0.0086140000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3525
_reflns_number_total             3947
_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 1.171.43.144a (Rigaku OD, 2024)'
_computing_data_collection       'CrysAlisPro 1.171.43.144a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.144a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5-ac6-020 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-ac6-020 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.316
_refine_diff_density_min         -0.468
_refine_diff_density_rms         0.048
_refine_ls_extinction_coef       0.0021(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         3947
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0347
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0501P)²+0.3639P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0927
_refine_ls_wR_factor_ref         0.0952
_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 Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B), C22(H22A,H22B)
2.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C8(H8), C11(H11), C15(H15), C19(H19), C9(H9), C18(H18), C17(H17),
 C16(H16)
2.c Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C)
;
_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
C2 C 0.75540(19) 0.52054(17) 0.34617(9) 0.0187(3) Uani 1 1 d . . . . .
O2 O 0.49474(16) 0.96276(13) 0.40061(7) 0.0270(3) Uani 1 1 d . . . . .
O6 O 0.58277(14) 0.51588(12) 0.18301(6) 0.0204(2) Uani 1 1 d . . . . .
C6 C 0.78604(19) 0.44151(17) 0.50160(9) 0.0195(3) Uani 1 1 d . . . . .
O5 O 0.75469(14) 0.76979(12) 0.11774(7) 0.0234(2) Uani 1 1 d . . . . .
C5 C 0.73375(19) 0.54716(17) 0.42732(9) 0.0185(3) Uani 1 1 d . . . . .
C14 C 0.9149(2) 0.33964(17) 0.25449(9) 0.0204(3) Uani 1 1 d . . . . .
C13 C 0.4153(3) 1.12024(19) 0.38882(11) 0.0333(4) Uani 1 1 d . . . . .
H13A H 0.498305 1.192600 0.350504 0.050 Uiso 1 1 calc R U . . .
H13B H 0.396381 1.149004 0.444131 0.050 Uiso 1 1 calc R U . . .
H13C H 0.297747 1.125321 0.363866 0.050 Uiso 1 1 calc R U . . .
C12 C 0.5382(2) 0.91489(17) 0.32866(10) 0.0213(3) Uani 1 1 d . . . . .
C10 C 0.8181(2) 0.35369(19) 0.65199(10) 0.0239(3) Uani 1 1 d . . . . .
H10 H 0.803173 0.370793 0.708188 0.029 Uiso 1 1 calc R U . . .
C8 C 0.9224(2) 0.18485(18) 0.55721(10) 0.0245(3) Uani 1 1 d . . . . .
H8 H 0.977037 0.088697 0.548877 0.029 Uiso 1 1 calc R U . . .
C1 C 0.8533(2) 0.37692(17) 0.33796(9) 0.0191(3) Uani 1 1 d . . . . .
P1 P 0.61715(5) 0.69032(4) 0.18198(2) 0.01803(12) Uani 1 1 d . . . . .
O1 O 0.65286(14) 0.68903(12) 0.42828(6) 0.0197(2) Uani 1 1 d . . . . .
N1 N 0.90113(17) 0.27232(15) 0.40577(8) 0.0213(3) Uani 1 1 d . . . . .
C11 C 0.7627(2) 0.46749(18) 0.58479(9) 0.0213(3) Uani 1 1 d . . . . .
H11 H 0.709018 0.563178 0.594297 0.026 Uiso 1 1 calc R U . . .
C7 C 0.8674(2) 0.29995(17) 0.48628(10) 0.0207(3) Uani 1 1 d . . . . .
C4 C 0.61842(19) 0.75457(17) 0.34522(9) 0.0192(3) Uani 1 1 d . . . . .
O4 O 0.41902(14) 0.76733(12) 0.17519(6) 0.0208(2) Uani 1 1 d . . . . .
C3 C 0.67157(19) 0.65824(17) 0.29173(9) 0.0185(3) Uani 1 1 d . . . . .
O3 O 0.52063(16) 0.99172(12) 0.25782(7) 0.0280(3) Uani 1 1 d . . . . .
C15 C 0.9053(2) 0.18792(18) 0.24449(10) 0.0233(3) Uani 1 1 d . . . . .
H15 H 0.862150 0.108809 0.291378 0.028 Uiso 1 1 calc R U . . .
C19 C 0.9858(2) 0.45340(18) 0.18616(10) 0.0221(3) Uani 1 1 d . . . . .
H19 H 0.996400 0.556544 0.192824 0.027 Uiso 1 1 calc R U . . .
C21 C 0.4901(2) 0.30910(17) 0.12490(10) 0.0238(3) Uani 1 1 d . . . . .
H21A H 0.449875 0.282716 0.073901 0.036 Uiso 1 1 calc R U . . .
H21B H 0.392248 0.289411 0.170934 0.036 Uiso 1 1 calc R U . . .
H21C H 0.599216 0.244885 0.142887 0.036 Uiso 1 1 calc R U . . .
C20 C 0.5345(2) 0.47819(17) 0.10493(9) 0.0225(3) Uani 1 1 d . . . . .
H20A H 0.637956 0.498066 0.060730 0.027 Uiso 1 1 calc R U . . .
H20B H 0.427433 0.543754 0.083052 0.027 Uiso 1 1 calc R U . . .
C9 C 0.8971(2) 0.21163(19) 0.63796(10) 0.0253(3) Uani 1 1 d . . . . .
H9 H 0.933495 0.133123 0.685071 0.030 Uiso 1 1 calc R U . . .
C18 C 1.0407(2) 0.4164(2) 0.10857(10) 0.0254(3) Uani 1 1 d . . . . .
H18 H 1.088841 0.494386 0.062322 0.030 Uiso 1 1 calc R U . . .
C23 C 0.2397(2) 0.87944(19) 0.05523(10) 0.0262(3) Uani 1 1 d . . . . .
H23A H 0.207408 0.976471 0.014943 0.039 Uiso 1 1 calc R U . . .
H23B H 0.129015 0.836593 0.088655 0.039 Uiso 1 1 calc R U . . .
H23C H 0.296246 0.804132 0.023666 0.039 Uiso 1 1 calc R U . . .
C22 C 0.3729(2) 0.91204(17) 0.11453(10) 0.0235(3) Uani 1 1 d . . . . .
H22A H 0.485080 0.955146 0.081090 0.028 Uiso 1 1 calc R U . . .
H22B H 0.317360 0.989772 0.145692 0.028 Uiso 1 1 calc R U . . .
C17 C 1.0258(2) 0.2659(2) 0.09808(10) 0.0275(4) Uani 1 1 d . . . . .
H17 H 1.061474 0.241307 0.044553 0.033 Uiso 1 1 calc R U . . .
C16 C 0.9584(2) 0.15140(19) 0.16644(11) 0.0271(4) Uani 1 1 d . . . . .
H16 H 0.948596 0.048163 0.159750 0.033 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
C2 C5 1.378(2) . ?
C2 C1 1.448(2) . ?
C2 C3 1.465(2) . ?
O2 C13 1.4532(18) . ?
O2 C12 1.3324(18) . ?
O6 P1 1.5720(11) . ?
O6 C20 1.4543(18) . ?
C6 C5 1.408(2) . ?
C6 C11 1.409(2) . ?
C6 C7 1.417(2) . ?
O5 P1 1.4674(11) . ?
C5 O1 1.3570(17) . ?
C14 C1 1.486(2) . ?
C14 C15 1.393(2) . ?
C14 C19 1.396(2) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C12 C4 1.476(2) . ?
C12 O3 1.2020(19) . ?
C10 H10 0.9500 . ?
C10 C11 1.372(2) . ?
C10 C9 1.408(2) . ?
C8 H8 0.9500 . ?
C8 C7 1.417(2) . ?
C8 C9 1.373(2) . ?
C1 N1 1.3192(19) . ?
P1 O4 1.5718(10) . ?
P1 C3 1.8070(15) . ?
O1 C4 1.3729(17) . ?
N1 C7 1.3762(19) . ?
C11 H11 0.9500 . ?
C4 C3 1.364(2) . ?
O4 C22 1.4626(16) . ?
C15 H15 0.9500 . ?
C15 C16 1.389(2) . ?
C19 H19 0.9500 . ?
C19 C18 1.387(2) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C21 C20 1.503(2) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C9 H9 0.9500 . ?
C18 H18 0.9500 . ?
C18 C17 1.390(2) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C23 C22 1.512(2) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C17 H17 0.9500 . ?
C17 C16 1.391(2) . ?
C16 H16 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
C5 C2 C1 115.80(13) . . ?
C5 C2 C3 105.21(12) . . ?
C1 C2 C3 138.95(13) . . ?
C12 O2 C13 114.73(12) . . ?
C20 O6 P1 118.56(9) . . ?
C5 C6 C11 125.45(14) . . ?
C5 C6 C7 113.65(13) . . ?
C11 C6 C7 120.90(14) . . ?
C2 C5 C6 125.19(13) . . ?
O1 C5 C2 111.93(13) . . ?
O1 C5 C6 122.88(13) . . ?
C15 C14 C1 119.60(13) . . ?
C15 C14 C19 119.18(14) . . ?
C19 C14 C1 121.21(13) . . ?
O2 C13 H13A 109.5 . . ?
O2 C13 H13B 109.5 . . ?
O2 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O2 C12 C4 111.89(13) . . ?
O3 C12 O2 125.45(14) . . ?
O3 C12 C4 122.63(14) . . ?
C11 C10 H10 119.9 . . ?
C11 C10 C9 120.24(14) . . ?
C9 C10 H10 119.9 . . ?
C7 C8 H8 119.9 . . ?
C9 C8 H8 119.9 . . ?
C9 C8 C7 120.30(15) . . ?
C2 C1 C14 123.44(13) . . ?
N1 C1 C2 121.12(13) . . ?
N1 C1 C14 115.37(13) . . ?
O6 P1 C3 96.81(6) . . ?
O5 P1 O6 117.41(6) . . ?
O5 P1 O4 114.49(6) . . ?
O5 P1 C3 115.89(7) . . ?
O4 P1 O6 102.05(6) . . ?
O4 P1 C3 108.01(6) . . ?
C5 O1 C4 105.60(11) . . ?
C1 N1 C7 120.90(13) . . ?
C6 C11 H11 120.2 . . ?
C10 C11 C6 119.55(14) . . ?
C10 C11 H11 120.2 . . ?
C8 C7 C6 118.00(14) . . ?
N1 C7 C6 122.97(13) . . ?
N1 C7 C8 118.98(14) . . ?
O1 C4 C12 116.04(12) . . ?
C3 C4 C12 131.48(14) . . ?
C3 C4 O1 112.44(13) . . ?
C22 O4 P1 124.14(9) . . ?
C2 C3 P1 129.55(11) . . ?
C4 C3 C2 104.73(13) . . ?
C4 C3 P1 125.22(11) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.49(15) . . ?
C16 C15 H15 119.8 . . ?
C14 C19 H19 119.9 . . ?
C18 C19 C14 120.24(15) . . ?
C18 C19 H19 119.9 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
O6 C20 C21 108.11(12) . . ?
O6 C20 H20A 110.1 . . ?
O6 C20 H20B 110.1 . . ?
C21 C20 H20A 110.1 . . ?
C21 C20 H20B 110.1 . . ?
H20A C20 H20B 108.4 . . ?
C10 C9 H9 119.5 . . ?
C8 C9 C10 121.00(14) . . ?
C8 C9 H9 119.5 . . ?
C19 C18 H18 119.8 . . ?
C19 C18 C17 120.38(15) . . ?
C17 C18 H18 119.8 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
O4 C22 C23 109.31(12) . . ?
O4 C22 H22A 109.8 . . ?
O4 C22 H22B 109.8 . . ?
C23 C22 H22A 109.8 . . ?
C23 C22 H22B 109.8 . . ?
H22A C22 H22B 108.3 . . ?
C18 C17 H17 120.2 . . ?
C18 C17 C16 119.60(15) . . ?
C16 C17 H17 120.2 . . ?
C15 C16 C17 120.05(15) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?

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
C2 C5 O1 C4 1.09(15) . . . . ?
C2 C1 N1 C7 -3.3(2) . . . . ?
O2 C12 C4 O1 -6.70(18) . . . . ?
O2 C12 C4 C3 175.71(15) . . . . ?
O6 P1 O4 C22 -131.95(11) . . . . ?
O6 P1 C3 C2 29.66(14) . . . . ?
O6 P1 C3 C4 -140.93(13) . . . . ?
C6 C5 O1 C4 -178.28(13) . . . . ?
O5 P1 O4 C22 -4.03(13) . . . . ?
O5 P1 C3 C2 -95.32(14) . . . . ?
O5 P1 C3 C4 94.09(14) . . . . ?
C5 C2 C1 C14 -170.23(13) . . . . ?
C5 C2 C1 N1 6.7(2) . . . . ?
C5 C2 C3 P1 -168.93(11) . . . . ?
C5 C2 C3 C4 3.13(16) . . . . ?
C5 C6 C11 C10 179.28(14) . . . . ?
C5 C6 C7 C8 -179.09(13) . . . . ?
C5 C6 C7 N1 3.4(2) . . . . ?
C5 O1 C4 C12 -176.94(12) . . . . ?
C5 O1 C4 C3 1.11(16) . . . . ?
C14 C1 N1 C7 173.85(13) . . . . ?
C14 C15 C16 C17 1.5(2) . . . . ?
C14 C19 C18 C17 0.0(2) . . . . ?
C13 O2 C12 C4 179.84(13) . . . . ?
C13 O2 C12 O3 1.8(2) . . . . ?
C12 C4 C3 C2 175.00(15) . . . . ?
C12 C4 C3 P1 -12.5(2) . . . . ?
C1 C2 C5 C6 -5.2(2) . . . . ?
C1 C2 C5 O1 175.42(12) . . . . ?
C1 C2 C3 P1 13.7(3) . . . . ?
C1 C2 C3 C4 -174.24(17) . . . . ?
C1 C14 C15 C16 178.57(14) . . . . ?
C1 C14 C19 C18 -179.36(13) . . . . ?
C1 N1 C7 C6 -2.0(2) . . . . ?
C1 N1 C7 C8 -179.49(14) . . . . ?
P1 O6 C20 C21 -174.18(10) . . . . ?
P1 O4 C22 C23 117.95(12) . . . . ?
O1 C4 C3 C2 -2.66(16) . . . . ?
O1 C4 C3 P1 169.85(10) . . . . ?
C11 C6 C5 C2 -179.38(14) . . . . ?
C11 C6 C5 O1 -0.1(2) . . . . ?
C11 C6 C7 C8 0.8(2) . . . . ?
C11 C6 C7 N1 -176.72(13) . . . . ?
C11 C10 C9 C8 0.8(2) . . . . ?
C7 C6 C5 C2 0.5(2) . . . . ?
C7 C6 C5 O1 179.74(12) . . . . ?
C7 C6 C11 C10 -0.6(2) . . . . ?
C7 C8 C9 C10 -0.6(2) . . . . ?
O4 P1 C3 C2 134.72(13) . . . . ?
O4 P1 C3 C4 -35.87(14) . . . . ?
C3 C2 C5 C6 176.69(13) . . . . ?
C3 C2 C5 O1 -2.66(16) . . . . ?
C3 C2 C1 C14 7.0(3) . . . . ?
C3 C2 C1 N1 -176.15(16) . . . . ?
C3 P1 O4 C22 126.70(11) . . . . ?
O3 C12 C4 O1 171.38(14) . . . . ?
O3 C12 C4 C3 -6.2(3) . . . . ?
C15 C14 C1 C2 -141.67(15) . . . . ?
C15 C14 C1 N1 41.26(19) . . . . ?
C15 C14 C19 C18 1.9(2) . . . . ?
C19 C14 C1 C2 39.6(2) . . . . ?
C19 C14 C1 N1 -137.47(15) . . . . ?
C19 C14 C15 C16 -2.7(2) . . . . ?
C19 C18 C17 C16 -1.2(2) . . . . ?
C20 O6 P1 O5 -55.35(12) . . . . ?
C20 O6 P1 O4 70.68(11) . . . . ?
C20 O6 P1 C3 -179.21(11) . . . . ?
C9 C10 C11 C6 -0.2(2) . . . . ?
C9 C8 C7 C6 -0.2(2) . . . . ?
C9 C8 C7 N1 177.42(14) . . . . ?
C18 C17 C16 C15 0.4(2) . . . . ?

_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 1.298
_oxdiff_exptl_absorpt_empirical_full_min 0.804
