# Electronic Supplementary Material (ESI) for ChemComm.
# 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. 
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data_exp_3804
_database_code_depnum_ccdc_archive 'CCDC 2160338'
loop_
_audit_author_name
_audit_author_address
Xingcui.Zhou
;Guangxi University
China
;
_audit_update_record             
;
2022-03-21 deposited with the CCDC.	2022-07-01 downloaded from the CCDC.
;
_audit_creation_date             2022-03-20
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        
'diethyl (S)-(3-oxo-2-phenylindolin-2-yl)phosphonate'
_chemical_formula_moiety         'C18 H20 N O4 P'
_chemical_formula_sum            'C18 H20 N O4 P'
_chemical_formula_weight         345.32
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      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                   9.8117(8)
_cell_length_b                   9.8216(7)
_cell_length_c                   10.5478(8)
_cell_angle_alpha                76.027(6)
_cell_angle_beta                 74.128(7)
_cell_angle_gamma                60.531(8)
_cell_volume                     844.24(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3149
_cell_measurement_temperature    149.99(10)
_cell_measurement_theta_max      28.7470
_cell_measurement_theta_min      2.4140
_shelx_estimated_absorpt_T_max   0.980
_shelx_estimated_absorpt_T_min   0.973
_exptl_absorpt_coefficient_mu    0.185
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.78409
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
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    1.358
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             364
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_av_unetI/netI     0.0413
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5418
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        24.997
_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_min         2.401
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      149.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -58.00  34.00   1.00    1.00    --   12.05 -57.00  90.00   92
  2  ω    -12.00  79.00   1.00    1.00    --   12.05  77.00   0.00   91
  3  ω    -15.00  80.00   1.00    1.00    --   12.05  57.00-120.00   95
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0158277000
_diffrn_orient_matrix_UB_12      0.0761196000
_diffrn_orient_matrix_UB_13      0.0088107000
_diffrn_orient_matrix_UB_21      -0.0703294000
_diffrn_orient_matrix_UB_22      0.0337117000
_diffrn_orient_matrix_UB_23      -0.0268845000
_diffrn_orient_matrix_UB_31      -0.0440119000
_diffrn_orient_matrix_UB_32      -0.0080089000
_diffrn_orient_matrix_UB_33      0.0645619000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2565
_reflns_number_total             2975
_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 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.445
_refine_diff_density_min         -0.433
_refine_diff_density_rms         0.064
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     233
_refine_ls_number_reflns         2975
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0567
_refine_ls_R_factor_gt           0.0483
_refine_ls_restrained_S_all      1.063
_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)+(0.0566P)²+0.5010P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1172
_refine_ls_wR_factor_ref         0.1239
_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, All C(H,H,H,H,H,H) groups
2. Others
 Sof(C15B)=Sof(H15C)=Sof(H15D)=Sof(H16D)=Sof(H16E)=Sof(H16F)=1-FVAR(1)
 Sof(C15)=Sof(H15A)=Sof(H15B)=Sof(H16A)=Sof(H16B)=Sof(H16C)=FVAR(1)
3.a Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C15B(H15C,H15D), C17(H17A,H17B)
3.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C10(H10), C11(H11), C12(H12), C13(H13),
 C14(H14)
3.c Idealised Me refined as rotating group:
 C16(H16D,H16E,H16F), C16(H16A,H16B,H16C), C18(H18A,H18B,H18C)
;
_atom_sites_solution_hydrogens   mixed
_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 0.72426(6) 0.57226(6) 0.61431(5) 0.02468(19) Uani 1 1 d . . . . .
O1 O 0.53221(19) 0.7341(2) 0.90187(17) 0.0434(5) Uani 1 1 d . . . . .
O2 O 0.65749(19) 0.73809(18) 0.52901(15) 0.0364(4) Uani 1 1 d . . . . .
O3 O 0.85509(18) 0.44344(18) 0.54301(15) 0.0308(4) Uani 1 1 d . . . . .
O4 O 0.57778(19) 0.5400(2) 0.67697(16) 0.0443(5) Uani 1 1 d . . . . .
N1 N 0.8975(2) 0.6690(2) 0.68440(19) 0.0260(4) Uani 1 1 d . . . . .
H1 H 0.970(3) 0.628(3) 0.624(2) 0.030(7) Uiso 1 1 d . . . . .
C1 C 0.8324(3) 0.8245(2) 0.7007(2) 0.0268(5) Uani 1 1 d . . . . .
C2 C 0.8992(3) 0.9281(3) 0.6487(2) 0.0368(6) Uani 1 1 d . . . . .
H2 H 0.997710 0.896958 0.592294 0.044 Uiso 1 1 calc R U . . .
C3 C 0.8129(4) 1.0788(3) 0.6845(3) 0.0500(7) Uani 1 1 d . . . . .
H3 H 0.854977 1.149734 0.650986 0.060 Uiso 1 1 calc R U . . .
C4 C 0.6651(4) 1.1282(3) 0.7690(3) 0.0525(8) Uani 1 1 d . . . . .
H4 H 0.610620 1.230440 0.791128 0.063 Uiso 1 1 calc R U . . .
C5 C 0.6000(3) 1.0267(3) 0.8194(3) 0.0411(6) Uani 1 1 d . . . . .
H5 H 0.501472 1.058861 0.875853 0.049 Uiso 1 1 calc R U . . .
C6 C 0.6840(3) 0.8738(2) 0.7846(2) 0.0284(5) Uani 1 1 d . . . . .
C7 C 0.6447(3) 0.7434(3) 0.8245(2) 0.0280(5) Uani 1 1 d . . . . .
C8 C 0.7859(2) 0.6051(2) 0.7497(2) 0.0228(4) Uani 1 1 d . . . . .
C9 C 0.8540(2) 0.4562(2) 0.84580(19) 0.0237(5) Uani 1 1 d . . . . .
C10 C 0.7682(3) 0.3726(3) 0.9092(2) 0.0338(5) Uani 1 1 d . . . . .
H10 H 0.666391 0.408766 0.893320 0.041 Uiso 1 1 calc R U . . .
C11 C 0.8325(4) 0.2368(3) 0.9952(3) 0.0459(7) Uani 1 1 d . . . . .
H11 H 0.774821 0.180825 1.035562 0.055 Uiso 1 1 calc R U . . .
C12 C 0.9815(4) 0.1838(3) 1.0216(2) 0.0469(7) Uani 1 1 d . . . . .
H12 H 1.025008 0.091799 1.079185 0.056 Uiso 1 1 calc R U . . .
C13 C 1.0654(3) 0.2671(3) 0.9627(2) 0.0413(6) Uani 1 1 d . . . . .
H13 H 1.165405 0.232283 0.981640 0.050 Uiso 1 1 calc R U . . .
C14 C 1.0028(3) 0.4030(3) 0.8749(2) 0.0313(5) Uani 1 1 d . . . . .
H14 H 1.061023 0.458525 0.835383 0.038 Uiso 1 1 calc R U . . .
C15 C 0.4669(11) 0.5658(14) 0.6093(9) 0.042(3) Uani 0.310(10) 1 d . . P A 1
H15A H 0.508397 0.485119 0.551811 0.051 Uiso 0.310(10) 1 calc R U P A 1
H15B H 0.433318 0.668095 0.555530 0.051 Uiso 0.310(10) 1 calc R U P A 1
C15B C 0.4130(4) 0.6402(5) 0.6818(6) 0.0507(17) Uani 0.690(10) 1 d . . P A 2
H15C H 0.377324 0.716180 0.742549 0.061 Uiso 0.690(10) 1 calc R U P A 2
H15D H 0.395938 0.698192 0.594326 0.061 Uiso 0.690(10) 1 calc R U P A 2
C16 C 0.3197(3) 0.5590(4) 0.7229(4) 0.0775(12) Uani 1 1 d . . . . .
H16D H 0.365358 0.471764 0.673051 0.116 Uiso 0.690(10) 1 calc R U P A 2
H16E H 0.213341 0.629365 0.707685 0.116 Uiso 0.690(10) 1 calc R U P A 2
H16F H 0.317174 0.520519 0.815851 0.116 Uiso 0.690(10) 1 calc R U P A 2
H16A H 0.278133 0.502112 0.696115 0.116 Uiso 0.310(10) 1 calc R U P A 1
H16B H 0.237507 0.664224 0.734576 0.116 Uiso 0.310(10) 1 calc R U P A 1
H16C H 0.356572 0.506465 0.805167 0.116 Uiso 0.310(10) 1 calc R U P A 1
C17 C 0.7416(4) 0.7694(3) 0.3950(2) 0.0521(7) Uani 1 1 d . . . . .
H17A H 0.854897 0.699668 0.388196 0.062 Uiso 1 1 calc R U . . .
H17B H 0.704073 0.748709 0.329139 0.062 Uiso 1 1 calc R U . . .
C18 C 0.7138(4) 0.9318(3) 0.3693(3) 0.0548(7) Uani 1 1 d . . . . .
H18A H 0.767569 0.951408 0.281332 0.082 Uiso 1 1 calc R U . . .
H18B H 0.753803 0.951151 0.432997 0.082 Uiso 1 1 calc R U . . .
H18C H 0.601583 1.000556 0.376380 0.082 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 O2 1.5672(16) . ?
P1 O3 1.4655(15) . ?
P1 O4 1.5589(17) . ?
P1 C8 1.843(2) . ?
O1 C7 1.209(3) . ?
O2 C17 1.475(3) . ?
O4 C15 1.350(8) . ?
O4 C15B 1.414(4) . ?
N1 H1 0.82(2) . ?
N1 C1 1.370(3) . ?
N1 C8 1.457(3) . ?
C1 C2 1.399(3) . ?
C1 C6 1.396(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.383(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.394(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.368(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.397(3) . ?
C6 C7 1.450(3) . ?
C7 C8 1.567(3) . ?
C8 C9 1.519(3) . ?
C9 C10 1.392(3) . ?
C9 C14 1.384(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.379(3) . ?
C11 H11 0.9300 . ?
C11 C12 1.374(4) . ?
C12 H12 0.9300 . ?
C12 C13 1.368(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.387(3) . ?
C14 H14 0.9300 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.623(10) . ?
C15B H15C 0.9700 . ?
C15B H15D 0.9700 . ?
C15B C16 1.413(5) . ?
C16 H16D 0.9600 . ?
C16 H16E 0.9600 . ?
C16 H16F 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.448(4) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?

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
O2 P1 C8 103.78(9) . . ?
O3 P1 O2 115.55(9) . . ?
O3 P1 O4 112.21(10) . . ?
O3 P1 C8 111.65(9) . . ?
O4 P1 O2 105.54(9) . . ?
O4 P1 C8 107.42(9) . . ?
C17 O2 P1 121.90(15) . . ?
C15 O4 P1 124.1(4) . . ?
C15B O4 P1 130.9(2) . . ?
C1 N1 H1 124.1(17) . . ?
C1 N1 C8 110.84(17) . . ?
C8 N1 H1 120.8(17) . . ?
N1 C1 C2 128.1(2) . . ?
N1 C1 C6 111.45(19) . . ?
C6 C1 C2 120.4(2) . . ?
C1 C2 H2 121.3 . . ?
C3 C2 C1 117.4(2) . . ?
C3 C2 H2 121.3 . . ?
C2 C3 H3 118.8 . . ?
C2 C3 C4 122.3(3) . . ?
C4 C3 H3 118.8 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.1(2) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.5 . . ?
C4 C5 C6 118.9(2) . . ?
C6 C5 H5 120.5 . . ?
C1 C6 C5 120.8(2) . . ?
C1 C6 C7 108.86(18) . . ?
C5 C6 C7 130.3(2) . . ?
O1 C7 C6 129.9(2) . . ?
O1 C7 C8 124.6(2) . . ?
C6 C7 C8 105.47(17) . . ?
N1 C8 P1 105.53(13) . . ?
N1 C8 C7 103.01(16) . . ?
N1 C8 C9 113.76(17) . . ?
C7 C8 P1 110.92(14) . . ?
C9 C8 P1 112.13(13) . . ?
C9 C8 C7 111.03(16) . . ?
C10 C9 C8 121.46(19) . . ?
C14 C9 C8 120.08(19) . . ?
C14 C9 C10 118.4(2) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 C9 120.7(2) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.3(2) . . ?
C12 C11 H11 119.9 . . ?
C11 C12 H12 120.2 . . ?
C13 C12 C11 119.6(2) . . ?
C13 C12 H12 120.2 . . ?
C12 C13 H13 119.7 . . ?
C12 C13 C14 120.7(2) . . ?
C14 C13 H13 119.7 . . ?
C9 C14 C13 120.3(2) . . ?
C9 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
O4 C15 H15A 110.8 . . ?
O4 C15 H15B 110.8 . . ?
O4 C15 C16 104.9(6) . . ?
H15A C15 H15B 108.8 . . ?
C16 C15 H15A 110.8 . . ?
C16 C15 H15B 110.8 . . ?
O4 C15B H15C 108.9 . . ?
O4 C15B H15D 108.9 . . ?
H15C C15B H15D 107.7 . . ?
C16 C15B O4 113.5(3) . . ?
C16 C15B H15C 108.9 . . ?
C16 C15B H15D 108.9 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
C15B C16 H16D 109.5 . . ?
C15B C16 H16E 109.5 . . ?
C15B C16 H16F 109.5 . . ?
H16D C16 H16E 109.5 . . ?
H16D C16 H16F 109.5 . . ?
H16E C16 H16F 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O2 C17 H17A 109.6 . . ?
O2 C17 H17B 109.6 . . ?
H17A C17 H17B 108.1 . . ?
C18 C17 O2 110.1(2) . . ?
C18 C17 H17A 109.6 . . ?
C18 C17 H17B 109.6 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?

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 O2 C17 C18 -148.3(2) . . . . ?
P1 O4 C15 C16 -165.6(3) . . . . ?
P1 O4 C15B C16 167.3(3) . . . . ?
P1 C8 C9 C10 -55.4(2) . . . . ?
P1 C8 C9 C14 126.34(17) . . . . ?
O1 C7 C8 P1 74.7(2) . . . . ?
O1 C7 C8 N1 -172.8(2) . . . . ?
O1 C7 C8 C9 -50.6(3) . . . . ?
O2 P1 O4 C15 45.1(7) . . . . ?
O2 P1 O4 C15B -10.5(4) . . . . ?
O2 P1 C8 N1 -56.10(15) . . . . ?
O2 P1 C8 C7 54.78(16) . . . . ?
O2 P1 C8 C9 179.54(13) . . . . ?
O3 P1 O2 C17 -12.4(2) . . . . ?
O3 P1 O4 C15 -81.6(7) . . . . ?
O3 P1 O4 C15B -137.1(4) . . . . ?
O3 P1 C8 N1 69.01(15) . . . . ?
O3 P1 C8 C7 179.89(13) . . . . ?
O3 P1 C8 C9 -55.34(16) . . . . ?
O4 P1 O2 C17 -137.04(19) . . . . ?
O4 P1 C8 N1 -167.57(13) . . . . ?
O4 P1 C8 C7 -56.70(16) . . . . ?
O4 P1 C8 C9 68.07(16) . . . . ?
N1 C1 C2 C3 -177.0(2) . . . . ?
N1 C1 C6 C5 177.11(19) . . . . ?
N1 C1 C6 C7 -1.7(2) . . . . ?
N1 C8 C9 C10 -175.03(18) . . . . ?
N1 C8 C9 C14 6.7(3) . . . . ?
C1 N1 C8 P1 110.16(16) . . . . ?
C1 N1 C8 C7 -6.2(2) . . . . ?
C1 N1 C8 C9 -126.51(18) . . . . ?
C1 C2 C3 C4 0.1(4) . . . . ?
C1 C6 C7 O1 175.4(2) . . . . ?
C1 C6 C7 C8 -2.2(2) . . . . ?
C2 C1 C6 C5 -0.6(3) . . . . ?
C2 C1 C6 C7 -179.43(19) . . . . ?
C2 C3 C4 C5 -0.2(4) . . . . ?
C3 C4 C5 C6 0.0(4) . . . . ?
C4 C5 C6 C1 0.5(3) . . . . ?
C4 C5 C6 C7 179.0(2) . . . . ?
C5 C6 C7 O1 -3.3(4) . . . . ?
C5 C6 C7 C8 179.1(2) . . . . ?
C6 C1 C2 C3 0.3(3) . . . . ?
C6 C7 C8 P1 -107.49(16) . . . . ?
C6 C7 C8 N1 5.0(2) . . . . ?
C6 C7 C8 C9 127.12(18) . . . . ?
C7 C8 C9 C10 69.3(2) . . . . ?
C7 C8 C9 C14 -109.0(2) . . . . ?
C8 P1 O2 C17 110.1(2) . . . . ?
C8 P1 O4 C15 155.3(7) . . . . ?
C8 P1 O4 C15B 99.8(4) . . . . ?
C8 N1 C1 C2 -177.2(2) . . . . ?
C8 N1 C1 C6 5.3(2) . . . . ?
C8 C9 C10 C11 179.4(2) . . . . ?
C8 C9 C14 C13 179.96(18) . . . . ?
C9 C10 C11 C12 1.3(4) . . . . ?
C10 C9 C14 C13 1.6(3) . . . . ?
C10 C11 C12 C13 0.4(4) . . . . ?
C11 C12 C13 C14 -1.1(4) . . . . ?
C12 C13 C14 C9 0.1(3) . . . . ?
C14 C9 C10 C11 -2.3(3) . . . . ?

_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 1.330
_oxdiff_exptl_absorpt_empirical_full_min 0.649
