# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_tx7033
_database_code_depnum_ccdc_archive 'CCDC 2141502'
loop_
_audit_author_name
_audit_author_address
'Xin-Ming Xu'
;Yantai University
China
;
_audit_update_record             
;
2022-04-30 deposited with the CCDC.	2022-06-29 downloaded from the CCDC.
;
_audit_creation_date             2021-08-18
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H28 N O2 P, C3 H7'
_chemical_formula_sum            'C37 H35 N O2 P'
_chemical_formula_weight         556.63
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHONClP
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                   9.27560(10)
_cell_length_b                   10.20610(10)
_cell_length_c                   17.1546(2)
_cell_angle_alpha                79.0240(10)
_cell_angle_beta                 75.1120(10)
_cell_angle_gamma                74.3280(10)
_cell_volume                     1498.29(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    16425
_cell_measurement_temperature    170.00(10)
_cell_measurement_theta_max      75.1170
_cell_measurement_theta_min      4.9460
_shelx_estimated_absorpt_T_max   0.948
_shelx_estimated_absorpt_T_min   0.493
_exptl_absorpt_coefficient_mu    1.069
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.47451
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
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    1.234
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             590
_exptl_crystal_size_max          0.77
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0211
_diffrn_reflns_av_unetI/netI     0.0159
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.955
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            19773
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.955
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.079
_diffrn_reflns_theta_min         4.967
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -89.00 -12.00   0.50    0.05    --  -47.57 123.00  51.00  154
  2  ω   -104.00 -69.00   0.50    0.05    --  -47.57 149.00-145.00   70
  3  ω   -118.00 -57.00   0.50    0.05    --  -47.57-149.00 168.00  122
  4  ω     32.00  57.00   0.50    0.05    --   47.57-123.00 -28.00   50
  5  ω     69.00  95.00   0.50    0.05    --   47.57 149.00-145.00   52
  6  ω   -146.00-121.00   0.50    0.05    --  -99.00-123.00 -28.00   50
  7  ω    -64.00 -27.00   0.50    0.05    --  -99.00 149.00-145.00   74
  8  ω   -128.00 -69.00   0.50    0.05    --  -99.00 149.00-145.00  118
  9  ω   -103.00 -71.00   0.50    0.05    --  -99.00 123.00  51.00   64
 10  ω    -68.00 -26.00   0.50    0.05    --  -99.00 123.00  51.00   84
 11  ω     81.00 129.00   0.50    0.05    --  103.25-149.00 168.00   96
 12  ω     93.00 126.00   0.50    0.05    --  103.25 123.00  51.00   66
 13  ω     31.00 110.00   0.50    0.05    --  103.25-123.00 -28.00  158
 14  ω    112.00 138.00   0.50    0.05    --  103.25 149.00-145.00   52
 15  ω   -114.00 -74.00   0.50    0.05    --  -47.57-125.00  60.00   80
 16  ω    -22.00  25.00   0.50    0.05    --  -47.57  19.00-120.00   94
 17  ω   -119.00 -50.00   0.50    0.05    --  -47.57 -77.00 -90.00  138
 18  ω     47.00  72.00   0.50    0.05    --   47.57-149.00 168.00   50
 19  ω     46.00 103.00   0.50    0.05    --   47.57  57.00 -90.00  114
 20  ω   -158.00 -74.00   0.50    0.05    --  -99.00-125.00 -60.00  168
 21  ω   -168.00 -86.00   0.50    0.05    --  -99.00 -30.00  30.00  164
 22  ω   -167.00 -85.00   0.50    0.05    --  -99.00 -61.00   0.00  164
 23  ω   -111.00 -84.00   0.50    0.05    --  -99.00 125.00 150.00   54
 24  ω    -56.00 -26.00   0.50    0.05    --  -99.00  61.00 -90.00   60
 25  ω    -68.00 -29.00   0.50    0.05    --  -99.00  61.00 150.00   78
 26  ω   -160.00-121.00   0.50    0.05    --  -99.00-125.00 -90.00   78
 27  ω   -110.00 -84.00   0.50    0.05    --  -99.00-125.00 -90.00   52
 28  ω   -136.00-110.00   0.50    0.05    --  -99.00-149.00 168.00   52
 29  ω    -64.00 -38.00   0.50    0.05    --  -99.00 125.00 150.00   52
 30  ω   -168.00 -85.00   0.50    0.05    --  -99.00 -15.00 120.00  166
 31  ω     42.00  68.00   0.50    0.05    --  103.25 -77.00 -60.00   52
 32  ω    141.00 167.00   0.50    0.05    --  103.25 125.00 150.00   52
 33  ω     82.00 108.00   0.50    0.05    --  103.25 125.00 150.00   52
 34  ω    136.00 169.00   0.50    0.05    --  103.25 125.00   0.00   66
 35  ω     84.00 128.00   0.50    0.05    --  103.25 125.00   0.00   88
 36  ω     33.00 110.00   0.50    0.05    --  103.25-125.00   0.00  154
 37  ω    114.00 152.00   0.50    0.05    --  103.25  15.00   0.00   76
 38  ω     32.00  75.00   0.50    0.05    --  103.25 -61.00-180.00   86
 39  ω     80.00 106.00   0.50    0.05    --  103.25 -77.00 150.00   52
 40  ω     68.00 100.00   0.50    0.05    --  103.25 -94.00 150.00   64
 41  ω     33.00  73.00   0.50    0.05    --  103.25 -77.00 150.00   80
 42  ω     80.00 106.00   0.50    0.05    --  103.25 -77.00 -60.00   52
 43  ω     51.00 111.00   0.50    0.05    --  103.25-125.00-180.00  120
 44  ω     37.00  62.00   0.50    0.05    --  103.25 -61.00-150.00   50
 45  ω     31.00  68.00   0.50    0.05    --  103.25 -61.00 -60.00   74
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0225082000
_diffrn_orient_matrix_UB_12      0.0542590000
_diffrn_orient_matrix_UB_13      -0.0914218000
_diffrn_orient_matrix_UB_21      0.0017882000
_diffrn_orient_matrix_UB_22      -0.1422482000
_diffrn_orient_matrix_UB_23      -0.0187416000
_diffrn_orient_matrix_UB_31      -0.1752799000
_diffrn_orient_matrix_UB_32      0.0426870000
_diffrn_orient_matrix_UB_33      0.0086132000
_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              'PhotonJet R (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5736
_reflns_number_total             5906
_reflns_odcompleteness_completeness 99.42
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.214
_refine_diff_density_min         -0.669
_refine_diff_density_rms         0.062
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         5906
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0545
_refine_ls_restrained_S_all      1.052
_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)+(0.0867P)²+1.2366P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1527
_refine_ls_wR_factor_ref         0.1537
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C40(H40A,H40B), C41(H41A,H41B)
2.b Aromatic/amide H refined with riding coordinates:
 C8(H8), C26(H26), C34(H34), C6(H6), C22(H22), C25(H25), C5(H5), C20(H20),
 C2(H2), C38(H38), C35(H35), C32(H32), C19(H19), C4(H4), C3(H3), C24(H24),
 C23(H23), C16(H16), C36(H36), C28(H28), C18(H18), C31(H31), C37(H37), C17(H17),
  C30(H30), C29(H29)
2.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
P7 P 0.64921(5) 0.30275(4) 0.85162(3) 0.02115(14) Uani 1 1 d . . . . .
O14 O 0.59361(16) 0.24850(14) 0.93747(8) 0.0293(3) Uani 1 1 d . . . . .
O12 O 0.22141(16) 0.64411(14) 0.65476(8) 0.0287(3) Uani 1 1 d . . . . .
N10 N 0.27629(17) 0.45179(15) 0.74342(9) 0.0213(3) Uani 1 1 d . . . . .
C21 C 0.2740(2) 0.29205(18) 0.87009(10) 0.0214(4) Uani 1 1 d . . . . .
C9 C 0.3630(2) 0.37101(17) 0.80183(10) 0.0201(3) Uani 1 1 d . . . . .
C11 C 0.2716(2) 0.58810(18) 0.71550(11) 0.0226(4) Uani 1 1 d . . . . .
C8 C 0.5117(2) 0.37076(18) 0.78854(10) 0.0216(3) Uani 1 1 d . . . . .
H8 H 0.550787 0.413454 0.737505 0.026 Uiso 1 1 calc R U . . .
C1 C 0.7308(2) 0.44799(18) 0.84454(11) 0.0232(4) Uani 1 1 d . . . . .
C33 C 0.3288(2) 0.66762(18) 0.76101(11) 0.0232(4) Uani 1 1 d . . . . .
C26 C 0.1205(2) 0.3499(2) 0.90255(11) 0.0255(4) Uani 1 1 d . . . . .
H26 H 0.073826 0.436660 0.880373 0.031 Uiso 1 1 calc R U . . .
C34 C 0.2841(2) 0.66692(19) 0.84481(12) 0.0281(4) Uani 1 1 d . . . . .
H34 H 0.216115 0.614432 0.875396 0.034 Uiso 1 1 calc R U . . .
C27 C 0.3616(2) 0.29470(19) 0.63859(11) 0.0253(4) Uani 1 1 d . . . . .
C15 C 0.7922(2) 0.17780(18) 0.79354(11) 0.0244(4) Uani 1 1 d . . . . .
C13 C 0.2270(2) 0.3717(2) 0.69647(11) 0.0252(4) Uani 1 1 d . . . . .
H13A H 0.155409 0.433047 0.665717 0.030 Uiso 1 1 calc R U . . .
H13B H 0.174134 0.306731 0.733656 0.030 Uiso 1 1 calc R U . . .
C6 C 0.6967(2) 0.5129(2) 0.91384(12) 0.0267(4) Uani 1 1 d . . . . .
H6 H 0.637842 0.478530 0.961997 0.032 Uiso 1 1 calc R U . . .
C22 C 0.3400(2) 0.15946(19) 0.90226(12) 0.0283(4) Uani 1 1 d . . . . .
H22 H 0.441096 0.118452 0.880082 0.034 Uiso 1 1 calc R U . . .
C25 C 0.0371(2) 0.2786(2) 0.96779(12) 0.0310(4) Uani 1 1 d . . . . .
H25 H -0.064296 0.318740 0.990017 0.037 Uiso 1 1 calc R U . . .
C5 C 0.7500(2) 0.6285(2) 0.91127(13) 0.0319(4) Uani 1 1 d . . . . .
H5 H 0.727264 0.671378 0.957628 0.038 Uiso 1 1 calc R U . . .
C20 C 0.9333(2) 0.1236(2) 0.81620(12) 0.0291(4) Uani 1 1 d . . . . .
H20 H 0.954980 0.156896 0.857687 0.035 Uiso 1 1 calc R U . . .
C2 C 0.8180(2) 0.5013(2) 0.77207(12) 0.0280(4) Uani 1 1 d . . . . .
H2 H 0.840491 0.459323 0.725403 0.034 Uiso 1 1 calc R U . . .
C38 C 0.4293(2) 0.7475(2) 0.71546(13) 0.0313(4) Uani 1 1 d . . . . .
H38 H 0.456444 0.751152 0.659128 0.038 Uiso 1 1 calc R U . . .
C35 C 0.3406(3) 0.7444(2) 0.88297(13) 0.0323(4) Uani 1 1 d . . . . .
H35 H 0.308212 0.745964 0.938852 0.039 Uiso 1 1 calc R U . . .
C32 C 0.4702(2) 0.3608(2) 0.58654(12) 0.0323(4) Uani 1 1 d . . . . .
H32 H 0.460839 0.453394 0.588016 0.039 Uiso 1 1 calc R U . . .
C19 C 1.0413(2) 0.0197(2) 0.77657(13) 0.0333(4) Uani 1 1 d . . . . .
H19 H 1.134703 -0.016622 0.792014 0.040 Uiso 1 1 calc R U . . .
C4 C 0.8373(2) 0.6800(2) 0.83937(14) 0.0338(4) Uani 1 1 d . . . . .
H4 H 0.873495 0.757213 0.837656 0.041 Uiso 1 1 calc R U . . .
C3 C 0.8707(2) 0.6168(2) 0.77005(13) 0.0327(4) Uani 1 1 d . . . . .
H3 H 0.928885 0.652083 0.721954 0.039 Uiso 1 1 calc R U . . .
C24 C 0.1046(3) 0.1479(2) 0.99989(12) 0.0344(5) Uani 1 1 d . . . . .
H24 H 0.048242 0.100321 1.043404 0.041 Uiso 1 1 calc R U . . .
C23 C 0.2551(3) 0.0882(2) 0.96744(13) 0.0342(5) Uani 1 1 d . . . . .
H23 H 0.300126 0.000416 0.989011 0.041 Uiso 1 1 calc R U . . .
C16 C 0.7621(3) 0.1266(2) 0.73120(14) 0.0367(5) Uani 1 1 d . . . . .
H16 H 0.668459 0.161407 0.715851 0.044 Uiso 1 1 calc R U . . .
C36 C 0.4457(2) 0.8196(2) 0.83755(14) 0.0343(5) Uani 1 1 d . . . . .
H36 H 0.486787 0.868596 0.863321 0.041 Uiso 1 1 calc R U . . .
C28 C 0.3794(3) 0.1564(2) 0.63594(14) 0.0386(5) Uani 1 1 d . . . . .
H28 H 0.309312 0.109927 0.670873 0.046 Uiso 1 1 calc R U . . .
C18 C 1.0107(3) -0.0295(2) 0.71470(14) 0.0379(5) Uani 1 1 d . . . . .
H18 H 1.083543 -0.098384 0.688211 0.045 Uiso 1 1 calc R U . . .
C31 C 0.5919(3) 0.2907(2) 0.53262(13) 0.0391(5) Uani 1 1 d . . . . .
H31 H 0.663756 0.336023 0.498396 0.047 Uiso 1 1 calc R U . . .
C37 C 0.4890(3) 0.8215(2) 0.75401(15) 0.0376(5) Uani 1 1 d . . . . .
H37 H 0.558499 0.872672 0.723617 0.045 Uiso 1 1 calc R U . . .
C17 C 0.8714(3) 0.0238(3) 0.69192(15) 0.0448(6) Uani 1 1 d . . . . .
H17 H 0.850885 -0.009587 0.650084 0.054 Uiso 1 1 calc R U . . .
C30 C 0.6060(3) 0.1531(3) 0.52992(14) 0.0446(6) Uani 1 1 d . . . . .
H30 H 0.686429 0.105985 0.493183 0.054 Uiso 1 1 calc R U . . .
C29 C 0.5010(3) 0.0863(2) 0.58159(15) 0.0488(6) Uani 1 1 d . . . . .
H29 H 0.511323 -0.006442 0.580216 0.059 Uiso 1 1 calc R U . . .
C7 C 1.0744(7) 0.1891(5) 0.4863(4) 0.1192(18) Uani 1 1 d . . . . .
H7A H 1.008829 0.193597 0.450210 0.143 Uiso 1 1 calc R U . . .
H7B H 1.077298 0.105615 0.523382 0.143 Uiso 1 1 calc R U . . .
H7C H 1.176054 0.190874 0.455171 0.143 Uiso 1 1 calc R U . . .
C40 C 1.0156(7) 0.3051(5) 0.5315(4) 0.124(2) Uani 1 1 d . . . . .
H40A H 1.068738 0.290571 0.575369 0.149 Uiso 1 1 calc R U . . .
H40B H 0.907537 0.311666 0.555460 0.149 Uiso 1 1 calc R U . . .
C41 C 1.0347(9) 0.4360(5) 0.4796(3) 0.124(2) Uani 1 1 d . . . . .
H41A H 0.989548 0.445076 0.433181 0.149 Uiso 1 1 calc R U . . .
H41B H 1.143552 0.430501 0.459036 0.149 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
P7 O14 1.4815(14) . ?
P7 C8 1.7958(18) . ?
P7 C1 1.8101(19) . ?
P7 C15 1.8082(19) . ?
O12 C11 1.228(2) . ?
N10 C9 1.439(2) . ?
N10 C11 1.375(2) . ?
N10 C13 1.472(2) . ?
C21 C9 1.485(2) . ?
C21 C26 1.397(3) . ?
C21 C22 1.397(3) . ?
C9 C8 1.338(3) . ?
C11 C33 1.495(3) . ?
C8 H8 0.9300 . ?
C1 C6 1.395(3) . ?
C1 C2 1.400(3) . ?
C33 C34 1.389(3) . ?
C33 C38 1.392(3) . ?
C26 H26 0.9300 . ?
C26 C25 1.389(3) . ?
C34 H34 0.9300 . ?
C34 C35 1.388(3) . ?
C27 C13 1.514(3) . ?
C27 C32 1.394(3) . ?
C27 C28 1.384(3) . ?
C15 C20 1.399(3) . ?
C15 C16 1.393(3) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C6 H6 0.9300 . ?
C6 C5 1.386(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.395(3) . ?
C25 H25 0.9300 . ?
C25 C24 1.386(3) . ?
C5 H5 0.9300 . ?
C5 C4 1.387(3) . ?
C20 H20 0.9300 . ?
C20 C19 1.393(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.384(3) . ?
C38 H38 0.9300 . ?
C38 C37 1.385(3) . ?
C35 H35 0.9300 . ?
C35 C36 1.390(3) . ?
C32 H32 0.9300 . ?
C32 C31 1.386(3) . ?
C19 H19 0.9300 . ?
C19 C18 1.376(3) . ?
C4 H4 0.9300 . ?
C4 C3 1.386(3) . ?
C3 H3 0.9300 . ?
C24 H24 0.9300 . ?
C24 C23 1.378(3) . ?
C23 H23 0.9300 . ?
C16 H16 0.9300 . ?
C16 C17 1.388(3) . ?
C36 H36 0.9300 . ?
C36 C37 1.383(3) . ?
C28 H28 0.9300 . ?
C28 C29 1.389(3) . ?
C18 H18 0.9300 . ?
C18 C17 1.385(3) . ?
C31 H31 0.9300 . ?
C31 C30 1.384(3) . ?
C37 H37 0.9300 . ?
C17 H17 0.9300 . ?
C30 H30 0.9300 . ?
C30 C29 1.372(4) . ?
C29 H29 0.9300 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C7 C40 1.444(7) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C40 C41 1.484(7) . ?
C41 C41 1.507(10) 2_766 ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?

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
O14 P7 C8 118.19(8) . . ?
O14 P7 C1 111.41(8) . . ?
O14 P7 C15 113.89(8) . . ?
C8 P7 C1 101.83(8) . . ?
C8 P7 C15 102.85(8) . . ?
C15 P7 C1 107.45(8) . . ?
C9 N10 C13 114.84(14) . . ?
C11 N10 C9 124.43(15) . . ?
C11 N10 C13 118.54(15) . . ?
C26 C21 C9 119.76(16) . . ?
C26 C21 C22 118.84(17) . . ?
C22 C21 C9 121.39(16) . . ?
N10 C9 C21 114.14(14) . . ?
C8 C9 N10 118.48(15) . . ?
C8 C9 C21 127.34(16) . . ?
O12 C11 N10 121.14(17) . . ?
O12 C11 C33 120.36(16) . . ?
N10 C11 C33 118.49(15) . . ?
P7 C8 H8 114.2 . . ?
C9 C8 P7 131.53(14) . . ?
C9 C8 H8 114.2 . . ?
C6 C1 P7 117.55(14) . . ?
C6 C1 C2 119.47(17) . . ?
C2 C1 P7 122.87(14) . . ?
C34 C33 C11 123.24(17) . . ?
C34 C33 C38 119.65(18) . . ?
C38 C33 C11 117.10(17) . . ?
C21 C26 H26 119.8 . . ?
C25 C26 C21 120.33(18) . . ?
C25 C26 H26 119.8 . . ?
C33 C34 H34 119.9 . . ?
C35 C34 C33 120.13(19) . . ?
C35 C34 H34 119.9 . . ?
C32 C27 C13 121.12(17) . . ?
C28 C27 C13 120.57(18) . . ?
C28 C27 C32 118.31(18) . . ?
C20 C15 P7 118.66(15) . . ?
C16 C15 P7 122.03(15) . . ?
C16 C15 C20 119.13(18) . . ?
N10 C13 C27 111.74(15) . . ?
N10 C13 H13A 109.3 . . ?
N10 C13 H13B 109.3 . . ?
C27 C13 H13A 109.3 . . ?
C27 C13 H13B 109.3 . . ?
H13A C13 H13B 107.9 . . ?
C1 C6 H6 119.8 . . ?
C5 C6 C1 120.32(18) . . ?
C5 C6 H6 119.8 . . ?
C21 C22 H22 119.8 . . ?
C23 C22 C21 120.42(19) . . ?
C23 C22 H22 119.8 . . ?
C26 C25 H25 119.9 . . ?
C24 C25 C26 120.21(19) . . ?
C24 C25 H25 119.9 . . ?
C6 C5 H5 120.1 . . ?
C6 C5 C4 119.79(19) . . ?
C4 C5 H5 120.1 . . ?
C15 C20 H20 120.0 . . ?
C19 C20 C15 119.96(19) . . ?
C19 C20 H20 120.0 . . ?
C1 C2 H2 120.1 . . ?
C3 C2 C1 119.82(19) . . ?
C3 C2 H2 120.1 . . ?
C33 C38 H38 120.0 . . ?
C37 C38 C33 120.04(19) . . ?
C37 C38 H38 120.0 . . ?
C34 C35 H35 120.0 . . ?
C34 C35 C36 119.92(19) . . ?
C36 C35 H35 120.0 . . ?
C27 C32 H32 119.5 . . ?
C31 C32 C27 121.0(2) . . ?
C31 C32 H32 119.5 . . ?
C20 C19 H19 119.8 . . ?
C18 C19 C20 120.41(19) . . ?
C18 C19 H19 119.8 . . ?
C5 C4 H4 119.9 . . ?
C3 C4 C5 120.29(19) . . ?
C3 C4 H4 119.9 . . ?
C2 C3 C4 120.31(19) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 H3 119.8 . . ?
C25 C24 H24 119.9 . . ?
C23 C24 C25 120.14(18) . . ?
C23 C24 H24 119.9 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 C22 120.01(19) . . ?
C24 C23 H23 120.0 . . ?
C15 C16 H16 119.9 . . ?
C17 C16 C15 120.2(2) . . ?
C17 C16 H16 119.9 . . ?
C35 C36 H36 120.0 . . ?
C37 C36 C35 119.97(19) . . ?
C37 C36 H36 120.0 . . ?
C27 C28 H28 119.7 . . ?
C27 C28 C29 120.6(2) . . ?
C29 C28 H28 119.7 . . ?
C19 C18 H18 120.0 . . ?
C19 C18 C17 119.95(19) . . ?
C17 C18 H18 120.0 . . ?
C32 C31 H31 120.1 . . ?
C30 C31 C32 119.7(2) . . ?
C30 C31 H31 120.1 . . ?
C38 C37 H37 119.9 . . ?
C36 C37 C38 120.2(2) . . ?
C36 C37 H37 119.9 . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.4(2) . . ?
C18 C17 H17 119.8 . . ?
C31 C30 H30 120.1 . . ?
C29 C30 C31 119.8(2) . . ?
C29 C30 H30 120.1 . . ?
C28 C29 H29 119.8 . . ?
C30 C29 C28 120.5(2) . . ?
C30 C29 H29 119.8 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C40 C7 H7A 109.5 . . ?
C40 C7 H7B 109.5 . . ?
C40 C7 H7C 109.5 . . ?
C7 C40 H40A 109.1 . . ?
C7 C40 H40B 109.1 . . ?
C7 C40 C41 112.3(6) . . ?
H40A C40 H40B 107.9 . . ?
C41 C40 H40A 109.1 . . ?
C41 C40 H40B 109.1 . . ?
C40 C41 C41 115.8(7) . 2_766 ?
C40 C41 H41A 108.3 . . ?
C40 C41 H41B 108.3 . . ?
C41 C41 H41A 108.3 2_766 . ?
C41 C41 H41B 108.3 2_766 . ?
H41A C41 H41B 107.4 . . ?

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
P7 C1 C6 C5 -177.08(15) . . . . ?
P7 C1 C2 C3 176.85(15) . . . . ?
P7 C15 C20 C19 175.17(15) . . . . ?
P7 C15 C16 C17 -175.47(19) . . . . ?
O14 P7 C8 C9 -7.6(2) . . . . ?
O14 P7 C1 C6 -16.63(17) . . . . ?
O14 P7 C1 C2 167.12(15) . . . . ?
O14 P7 C15 C20 -63.76(17) . . . . ?
O14 P7 C15 C16 111.32(18) . . . . ?
O12 C11 C33 C34 130.67(19) . . . . ?
O12 C11 C33 C38 -48.1(2) . . . . ?
N10 C9 C8 P7 171.03(13) . . . . ?
N10 C11 C33 C34 -49.1(2) . . . . ?
N10 C11 C33 C38 132.16(18) . . . . ?
C21 C9 C8 P7 -11.3(3) . . . . ?
C21 C26 C25 C24 -1.6(3) . . . . ?
C21 C22 C23 C24 0.8(3) . . . . ?
C9 N10 C11 O12 165.43(16) . . . . ?
C9 N10 C11 C33 -14.8(2) . . . . ?
C9 N10 C13 C27 -68.61(19) . . . . ?
C9 C21 C26 C25 -178.30(17) . . . . ?
C9 C21 C22 C23 178.73(17) . . . . ?
C11 N10 C9 C21 130.72(17) . . . . ?
C11 N10 C9 C8 -51.3(2) . . . . ?
C11 N10 C13 C27 95.35(19) . . . . ?
C11 C33 C34 C35 -179.35(17) . . . . ?
C11 C33 C38 C37 -178.68(18) . . . . ?
C8 P7 C1 C6 110.27(15) . . . . ?
C8 P7 C1 C2 -65.97(16) . . . . ?
C8 P7 C15 C20 167.12(15) . . . . ?
C8 P7 C15 C16 -17.80(19) . . . . ?
C1 P7 C8 C9 -129.93(18) . . . . ?
C1 P7 C15 C20 60.13(17) . . . . ?
C1 P7 C15 C16 -124.79(18) . . . . ?
C1 C6 C5 C4 0.2(3) . . . . ?
C1 C2 C3 C4 -0.2(3) . . . . ?
C33 C34 C35 C36 -1.9(3) . . . . ?
C33 C38 C37 C36 -1.9(3) . . . . ?
C26 C21 C9 N10 -37.5(2) . . . . ?
C26 C21 C9 C8 144.79(19) . . . . ?
C26 C21 C22 C23 -2.1(3) . . . . ?
C26 C25 C24 C23 0.3(3) . . . . ?
C34 C33 C38 C37 2.5(3) . . . . ?
C34 C35 C36 C37 2.6(3) . . . . ?
C27 C32 C31 C30 0.3(3) . . . . ?
C27 C28 C29 C30 0.4(4) . . . . ?
C15 P7 C8 C9 118.85(18) . . . . ?
C15 P7 C1 C6 -142.03(14) . . . . ?
C15 P7 C1 C2 41.73(17) . . . . ?
C15 C20 C19 C18 0.5(3) . . . . ?
C15 C16 C17 C18 0.5(4) . . . . ?
C13 N10 C9 C21 -66.39(19) . . . . ?
C13 N10 C9 C8 111.54(18) . . . . ?
C13 N10 C11 O12 3.1(2) . . . . ?
C13 N10 C11 C33 -177.11(15) . . . . ?
C13 C27 C32 C31 -178.88(19) . . . . ?
C13 C27 C28 C29 178.6(2) . . . . ?
C6 C1 C2 C3 0.7(3) . . . . ?
C6 C5 C4 C3 0.3(3) . . . . ?
C22 C21 C9 N10 141.67(17) . . . . ?
C22 C21 C9 C8 -36.0(3) . . . . ?
C22 C21 C26 C25 2.5(3) . . . . ?
C25 C24 C23 C22 0.1(3) . . . . ?
C5 C4 C3 C2 -0.3(3) . . . . ?
C20 C15 C16 C17 -0.4(3) . . . . ?
C20 C19 C18 C17 -0.4(3) . . . . ?
C2 C1 C6 C5 -0.7(3) . . . . ?
C38 C33 C34 C35 -0.6(3) . . . . ?
C35 C36 C37 C38 -0.7(3) . . . . ?
C32 C27 C13 N10 -49.5(2) . . . . ?
C32 C27 C28 C29 -1.2(3) . . . . ?
C32 C31 C30 C29 -1.1(4) . . . . ?
C19 C18 C17 C16 0.0(4) . . . . ?
C16 C15 C20 C19 -0.1(3) . . . . ?
C28 C27 C13 N10 130.73(19) . . . . ?
C28 C27 C32 C31 0.9(3) . . . . ?
C31 C30 C29 C28 0.8(4) . . . . ?
C7 C40 C41 C41 175.4(7) . . . 2_766 ?

_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 1.917
_oxdiff_exptl_absorpt_empirical_full_min 0.510
