# 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_gongjinyu2-yshd_1218_auto
_database_code_depnum_ccdc_archive 'CCDC 2426084'
loop_
_audit_author_name
_audit_author_address
'Jinyu Gong'
;Lanzhou university
China
;
_audit_update_record             
;
2025-02-22 deposited with the CCDC.	2026-03-12 downloaded from the CCDC.
;
_audit_creation_date             2024-12-23
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H20 N O4 P'
_chemical_formula_sum            'C25 H20 N O4 P'
_chemical_formula_weight         429.39
_chemical_absolute_configuration ad
_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 0.0181 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      tetragonal
_space_group_IT_number           96
_space_group_name_H-M_alt        'P 43 21 2'
_space_group_name_Hall           'P 4nw 2abw'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y+1/2, x+1/2, z+3/4'
'y+1/2, -x+1/2, z+1/4'
'-x+1/2, y+1/2, -z+3/4'
'x+1/2, -y+1/2, -z+1/4'
'y, x, -z'
'-y, -x, -z+1/2'

_cell_length_a                   10.33330(10)
_cell_length_b                   10.33330(10)
_cell_length_c                   39.8477(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4254.82(10)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    15765
_cell_measurement_temperature    295.22(10)
_cell_measurement_theta_max      75.8280
_cell_measurement_theta_min      4.4040
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.416
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.38038
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.143a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.341
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1792
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0404
_diffrn_reflns_av_unetI/netI     0.0216
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            24608
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.204
_diffrn_reflns_theta_min         4.420
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      295.22(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -33.00  -8.00   0.50    0.05    --   44.63 -19.00 120.00   50
  2  ω    -22.00  37.00   0.50    0.05    --   44.63 -37.00 -30.00  118
  3  ω     35.00  66.00   0.50    0.05    --  108.93 -67.00 -26.00   62
  4  ω     42.00 102.00   0.50    0.05    --  108.93 -77.00 -90.00  120
  5  ω    -20.00  14.00   0.50    0.05    --   44.63 -19.00-180.00   68
  6  ω     35.00  60.00   0.50    0.05    --  108.93 -61.00   0.00   50
  7  ω     40.00  65.00   0.50    0.05    --  108.93 -61.00 120.00   50
  8  ω     91.00 161.00   0.50    0.05    --  108.93  30.00  60.00  140
  9  ω     89.00 170.00   0.50    0.05    --  108.93  67.00 107.00  162
 10  ω    130.00 161.00   0.50    0.05    --  108.93  30.00-120.00   62
 11  ω   -116.00 -26.00   0.50    0.05    --  -44.63 -57.00 175.00  180
 12  ω    -53.00 -25.00   0.50    0.05    -- -100.00  45.00  60.00   56
 13  ω    -51.00 -26.00   0.50    0.05    -- -100.00  57.00 -42.00   50
 14  ω    -84.00 -32.00   0.50    0.05    -- -100.00  67.00 107.00  104
 15  ω     38.00 104.00   0.50    0.05    --  108.93 -94.00 -90.00  132
 16  ω    -53.00 -28.00   0.50    0.05    -- -100.00  45.00-180.00   50
 17  ω    -53.00 -25.00   0.50    0.05    -- -100.00  45.00-120.00   56
 18  ω   -103.00 -53.00   0.50    0.05    -- -100.00 108.00-169.00  100
 19  ω    -69.00 -37.00   0.50    0.05    -- -100.00 125.00-150.00   64
 20  ω   -112.00 -72.00   0.50    0.05    -- -100.00 125.00-150.00   80
 21  ω    -79.00 -48.00   0.50    0.05    --  -44.63 179.00   0.00   62
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0405857000
_diffrn_orient_matrix_UB_12      -0.0871576000
_diffrn_orient_matrix_UB_13      0.0295523000
_diffrn_orient_matrix_UB_21      0.0933614000
_diffrn_orient_matrix_UB_22      -0.0738515000
_diffrn_orient_matrix_UB_23      -0.0232671000
_diffrn_orient_matrix_UB_31      0.1089514000
_diffrn_orient_matrix_UB_32      0.0957201000
_diffrn_orient_matrix_UB_33      0.0089716000
_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         0.649
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.964
_reflns_number_gt                3968
_reflns_number_total             4340
_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 1.171.43.143a (Rigaku OD, 2024)'
_computing_data_collection       'CrysAlisPro 1.171.43.143a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.143a (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  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.154
_refine_diff_density_min         -0.164
_refine_diff_density_rms         0.028
_refine_ls_abs_structure_details 
;
 Flack x determined using 1463 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.013(9)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4340
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0370
_refine_ls_R_factor_gt           0.0339
_refine_ls_restrained_S_all      1.047
_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)+(0.0583P)²+0.2134P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0923
_refine_ls_wR_factor_ref         0.0945
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C7(H7), C8(H8), C9(H9), C11(H11), C13(H13),
 C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C21(H21), C22(H22), C23(H23),
  C24(H24), C25(H25)
;
_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
P1 P 0.46965(5) 1.02282(5) 0.49233(2) 0.05399(16) Uani 1 1 d . . . . .
O1 O 0.43376(15) 0.88818(16) 0.47455(3) 0.0581(4) Uani 1 1 d . . . . .
O2 O 0.69011(19) 0.9867(3) 0.40327(6) 0.0975(7) Uani 1 1 d . . . . .
O3 O 0.6167(3) 1.1668(2) 0.38445(7) 0.1070(8) Uani 1 1 d . . . . .
O4 O 0.46121(19) 1.13780(17) 0.47073(4) 0.0740(5) Uani 1 1 d . . . . .
N1 N 0.6012(2) 1.0553(2) 0.39358(5) 0.0758(6) Uani 1 1 d . . . . .
C1 C 0.5028(2) 0.8543(2) 0.44393(4) 0.0525(5) Uani 1 1 d . . . . .
H1 H 0.589308 0.893149 0.444427 0.063 Uiso 1 1 calc R U . . .
C2 C 0.6618(3) 0.8954(3) 0.52895(7) 0.0737(7) Uani 1 1 d . . . . .
H2 H 0.602036 0.829219 0.532107 0.088 Uiso 1 1 calc R U . . .
C3 C 0.5406(3) 0.4415(3) 0.43375(8) 0.0860(9) Uani 1 1 d . . . . .
H3 H 0.548999 0.352396 0.431188 0.103 Uiso 1 1 calc R U . . .
C4 C 0.4270(2) 0.9088(2) 0.41415(4) 0.0513(4) Uani 1 1 d . . . . .
C5 C 0.7821(3) 0.8881(3) 0.54397(8) 0.0822(8) Uani 1 1 d . . . . .
H5 H 0.802375 0.818069 0.557644 0.099 Uiso 1 1 calc R U . . .
C6 C 0.3334(3) 0.9120(2) 0.54582(6) 0.0640(6) Uani 1 1 d . . . . .
H6 H 0.371483 0.833462 0.540157 0.077 Uiso 1 1 calc R U . . .
C7 C 0.2241(3) 0.9099(3) 0.38375(7) 0.0736(7) Uani 1 1 d . . . . .
H7 H 0.140343 0.878467 0.381278 0.088 Uiso 1 1 calc R U . . .
C8 C 0.3006(2) 0.8650(2) 0.40953(6) 0.0621(5) Uani 1 1 d . . . . .
H8 H 0.267119 0.803746 0.424265 0.075 Uiso 1 1 calc R U . . .
C9 C 0.6049(3) 0.5241(3) 0.41309(8) 0.0838(8) Uani 1 1 d . . . . .
H9 H 0.657766 0.491109 0.396251 0.101 Uiso 1 1 calc R U . . .
C10 C 0.3587(2) 1.0221(2) 0.52682(5) 0.0539(5) Uani 1 1 d . . . . .
C11 C 0.8710(3) 0.9830(3) 0.53881(8) 0.0807(8) Uani 1 1 d . . . . .
H11 H 0.951856 0.977685 0.548960 0.097 Uiso 1 1 calc R U . . .
C12 C 0.5152(2) 0.7094(2) 0.44162(5) 0.0549(5) Uani 1 1 d . . . . .
C13 C 0.1942(3) 1.0351(3) 0.58154(6) 0.0739(7) Uani 1 1 d . . . . .
H13 H 0.140071 1.039342 0.600157 0.089 Uiso 1 1 calc R U . . .
C14 C 0.6300(2) 1.0009(2) 0.50923(5) 0.0529(5) Uani 1 1 d . . . . .
C15 C 0.4502(3) 0.6246(3) 0.46261(6) 0.0722(7) Uani 1 1 d . . . . .
H15 H 0.397455 0.656627 0.479616 0.087 Uiso 1 1 calc R U . . .
C16 C 0.2993(3) 1.1374(2) 0.53547(6) 0.0649(6) Uani 1 1 d . . . . .
H16 H 0.315151 1.211469 0.522860 0.078 Uiso 1 1 calc R U . . .
C17 C 0.2159(3) 1.1436(3) 0.56285(7) 0.0755(7) Uani 1 1 d . . . . .
H17 H 0.175391 1.221064 0.568373 0.091 Uiso 1 1 calc R U . . .
C18 C 0.5926(3) 0.6568(3) 0.41679(6) 0.0696(6) Uani 1 1 d . . . . .
H18 H 0.637144 0.711514 0.402320 0.083 Uiso 1 1 calc R U . . .
C19 C 0.3934(3) 1.0469(3) 0.36550(6) 0.0711(6) Uani 1 1 d . . . . .
H19 H 0.425301 1.108808 0.350708 0.085 Uiso 1 1 calc R U . . .
C20 C 0.4702(2) 1.0010(2) 0.39158(5) 0.0578(5) Uani 1 1 d . . . . .
C21 C 0.4636(4) 0.4917(3) 0.45830(7) 0.0884(9) Uani 1 1 d . . . . .
H21 H 0.419015 0.435821 0.472480 0.106 Uiso 1 1 calc R U . . .
C22 C 0.7212(2) 1.0957(2) 0.50417(7) 0.0693(6) Uani 1 1 d . . . . .
H22 H 0.701555 1.166862 0.490829 0.083 Uiso 1 1 calc R U . . .
C23 C 0.2701(3) 0.9999(3) 0.36186(7) 0.0760(7) Uani 1 1 d . . . . .
H23 H 0.217994 1.029475 0.344448 0.091 Uiso 1 1 calc R U . . .
C24 C 0.8420(3) 1.0857(3) 0.51882(9) 0.0862(9) Uani 1 1 d . . . . .
H24 H 0.903684 1.149567 0.515004 0.103 Uiso 1 1 calc R U . . .
C25 C 0.2514(3) 0.9197(3) 0.57311(6) 0.0735(7) Uani 1 1 d . . . . .
H25 H 0.234882 0.846244 0.585876 0.088 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
P1 O1 1.6048(16) . ?
P1 O4 1.4698(17) . ?
P1 C10 1.790(2) . ?
P1 C14 1.802(2) . ?
O1 C1 1.456(2) . ?
O2 N1 1.223(3) . ?
O3 N1 1.219(3) . ?
N1 C20 1.467(3) . ?
C1 H1 0.9800 . ?
C1 C4 1.530(3) . ?
C1 C12 1.505(3) . ?
C2 H2 0.9300 . ?
C2 C5 1.382(4) . ?
C2 C14 1.384(3) . ?
C3 H3 0.9300 . ?
C3 C9 1.359(5) . ?
C3 C21 1.364(5) . ?
C4 C8 1.395(3) . ?
C4 C20 1.384(3) . ?
C5 H5 0.9300 . ?
C5 C11 1.359(4) . ?
C6 H6 0.9300 . ?
C6 C10 1.392(3) . ?
C6 C25 1.380(3) . ?
C7 H7 0.9300 . ?
C7 C8 1.377(3) . ?
C7 C23 1.361(4) . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C9 C18 1.385(4) . ?
C10 C16 1.384(3) . ?
C11 H11 0.9300 . ?
C11 C24 1.361(4) . ?
C12 C15 1.385(3) . ?
C12 C18 1.383(3) . ?
C13 H13 0.9300 . ?
C13 C17 1.365(4) . ?
C13 C25 1.372(4) . ?
C14 C22 1.374(3) . ?
C15 H15 0.9300 . ?
C15 C21 1.391(4) . ?
C16 H16 0.9300 . ?
C16 C17 1.391(4) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C19 C20 1.391(3) . ?
C19 C23 1.371(4) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C22 C24 1.381(4) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 H25 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
O1 P1 C10 100.81(9) . . ?
O1 P1 C14 105.58(9) . . ?
O4 P1 O1 115.38(9) . . ?
O4 P1 C10 114.53(11) . . ?
O4 P1 C14 112.00(11) . . ?
C10 P1 C14 107.53(9) . . ?
C1 O1 P1 117.73(13) . . ?
O2 N1 C20 119.3(2) . . ?
O3 N1 O2 122.9(3) . . ?
O3 N1 C20 117.8(2) . . ?
O1 C1 H1 109.4 . . ?
O1 C1 C4 108.09(16) . . ?
O1 C1 C12 109.40(17) . . ?
C4 C1 H1 109.4 . . ?
C12 C1 H1 109.4 . . ?
C12 C1 C4 111.26(16) . . ?
C5 C2 H2 119.9 . . ?
C5 C2 C14 120.2(2) . . ?
C14 C2 H2 119.9 . . ?
C9 C3 H3 120.6 . . ?
C9 C3 C21 118.7(3) . . ?
C21 C3 H3 120.6 . . ?
C8 C4 C1 117.52(19) . . ?
C20 C4 C1 126.3(2) . . ?
C20 C4 C8 116.11(19) . . ?
C2 C5 H5 119.9 . . ?
C11 C5 C2 120.2(3) . . ?
C11 C5 H5 119.9 . . ?
C10 C6 H6 120.1 . . ?
C25 C6 H6 120.1 . . ?
C25 C6 C10 119.8(2) . . ?
C8 C7 H7 119.7 . . ?
C23 C7 H7 119.7 . . ?
C23 C7 C8 120.5(3) . . ?
C4 C8 H8 119.1 . . ?
C7 C8 C4 121.8(2) . . ?
C7 C8 H8 119.1 . . ?
C3 C9 H9 119.6 . . ?
C3 C9 C18 120.8(3) . . ?
C18 C9 H9 119.6 . . ?
C6 C10 P1 122.82(18) . . ?
C16 C10 P1 118.16(18) . . ?
C16 C10 C6 119.0(2) . . ?
C5 C11 H11 119.9 . . ?
C5 C11 C24 120.2(3) . . ?
C24 C11 H11 119.9 . . ?
C15 C12 C1 123.4(2) . . ?
C18 C12 C1 118.9(2) . . ?
C18 C12 C15 117.6(2) . . ?
C17 C13 H13 119.7 . . ?
C17 C13 C25 120.6(2) . . ?
C25 C13 H13 119.7 . . ?
C2 C14 P1 121.97(17) . . ?
C22 C14 P1 119.11(18) . . ?
C22 C14 C2 118.8(2) . . ?
C12 C15 H15 120.0 . . ?
C12 C15 C21 120.1(3) . . ?
C21 C15 H15 120.0 . . ?
C10 C16 H16 119.7 . . ?
C10 C16 C17 120.6(2) . . ?
C17 C16 H16 119.7 . . ?
C13 C17 C16 119.5(2) . . ?
C13 C17 H17 120.3 . . ?
C16 C17 H17 120.3 . . ?
C9 C18 H18 119.4 . . ?
C12 C18 C9 121.2(3) . . ?
C12 C18 H18 119.4 . . ?
C20 C19 H19 120.4 . . ?
C23 C19 H19 120.4 . . ?
C23 C19 C20 119.2(2) . . ?
C4 C20 N1 121.71(19) . . ?
C4 C20 C19 122.4(2) . . ?
C19 C20 N1 115.9(2) . . ?
C3 C21 C15 121.5(3) . . ?
C3 C21 H21 119.2 . . ?
C15 C21 H21 119.2 . . ?
C14 C22 H22 119.8 . . ?
C14 C22 C24 120.3(3) . . ?
C24 C22 H22 119.8 . . ?
C7 C23 C19 119.9(2) . . ?
C7 C23 H23 120.0 . . ?
C19 C23 H23 120.0 . . ?
C11 C24 C22 120.3(3) . . ?
C11 C24 H24 119.9 . . ?
C22 C24 H24 119.9 . . ?
C6 C25 H25 119.8 . . ?
C13 C25 C6 120.5(3) . . ?
C13 C25 H25 119.8 . . ?

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 C1 C4 -89.79(18) . . . . ?
P1 O1 C1 C12 148.91(14) . . . . ?
P1 C10 C16 C17 -177.56(19) . . . . ?
P1 C14 C22 C24 175.4(2) . . . . ?
O1 P1 C10 C6 42.0(2) . . . . ?
O1 P1 C10 C16 -140.18(18) . . . . ?
O1 P1 C14 C2 -50.5(2) . . . . ?
O1 P1 C14 C22 133.65(19) . . . . ?
O1 C1 C4 C8 -60.6(2) . . . . ?
O1 C1 C4 C20 117.4(2) . . . . ?
O1 C1 C12 C15 10.3(3) . . . . ?
O1 C1 C12 C18 -171.45(19) . . . . ?
O2 N1 C20 C4 33.6(3) . . . . ?
O2 N1 C20 C19 -145.8(2) . . . . ?
O3 N1 C20 C4 -148.5(2) . . . . ?
O3 N1 C20 C19 32.1(3) . . . . ?
O4 P1 O1 C1 54.32(18) . . . . ?
O4 P1 C10 C6 166.50(19) . . . . ?
O4 P1 C10 C16 -15.7(2) . . . . ?
O4 P1 C14 C2 -176.8(2) . . . . ?
O4 P1 C14 C22 7.3(2) . . . . ?
C1 C4 C8 C7 179.0(2) . . . . ?
C1 C4 C20 N1 1.9(3) . . . . ?
C1 C4 C20 C19 -178.7(2) . . . . ?
C1 C12 C15 C21 178.1(2) . . . . ?
C1 C12 C18 C9 -178.5(2) . . . . ?
C2 C5 C11 C24 0.0(5) . . . . ?
C2 C14 C22 C24 -0.5(4) . . . . ?
C3 C9 C18 C12 0.3(4) . . . . ?
C4 C1 C12 C15 -109.0(2) . . . . ?
C4 C1 C12 C18 69.2(3) . . . . ?
C5 C2 C14 P1 -174.0(2) . . . . ?
C5 C2 C14 C22 1.8(4) . . . . ?
C5 C11 C24 C22 1.3(5) . . . . ?
C6 C10 C16 C17 0.4(4) . . . . ?
C8 C4 C20 N1 -180.0(2) . . . . ?
C8 C4 C20 C19 -0.7(3) . . . . ?
C8 C7 C23 C19 -0.3(4) . . . . ?
C9 C3 C21 C15 -0.3(5) . . . . ?
C10 P1 O1 C1 178.26(15) . . . . ?
C10 P1 C14 C2 56.5(2) . . . . ?
C10 P1 C14 C22 -119.4(2) . . . . ?
C10 C6 C25 C13 0.4(4) . . . . ?
C10 C16 C17 C13 0.8(4) . . . . ?
C12 C1 C4 C8 59.5(2) . . . . ?
C12 C1 C4 C20 -122.4(2) . . . . ?
C12 C15 C21 C3 0.4(4) . . . . ?
C14 P1 O1 C1 -69.93(16) . . . . ?
C14 P1 C10 C6 -68.3(2) . . . . ?
C14 P1 C10 C16 109.51(18) . . . . ?
C14 C2 C5 C11 -1.6(5) . . . . ?
C14 C22 C24 C11 -1.0(4) . . . . ?
C15 C12 C18 C9 -0.2(4) . . . . ?
C17 C13 C25 C6 0.9(4) . . . . ?
C18 C12 C15 C21 -0.1(4) . . . . ?
C20 C4 C8 C7 0.7(3) . . . . ?
C20 C19 C23 C7 0.4(4) . . . . ?
C21 C3 C9 C18 0.0(5) . . . . ?
C23 C7 C8 C4 -0.3(4) . . . . ?
C23 C19 C20 N1 179.5(2) . . . . ?
C23 C19 C20 C4 0.1(4) . . . . ?
C25 C6 C10 P1 176.9(2) . . . . ?
C25 C6 C10 C16 -1.0(4) . . . . ?
C25 C13 C17 C16 -1.4(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 1.950
_oxdiff_exptl_absorpt_empirical_full_min 0.731
