# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_exp_1147
_database_code_depnum_ccdc_archive 'CCDC 2086404'
loop_
_audit_author_name
_audit_author_address
'Long Chen'
;Chengdu University
China
;
_audit_update_record             
;
2021-05-28 deposited with the CCDC.	2021-07-23 downloaded from the CCDC.
;
_audit_creation_date             2021-05-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H25 O5 P'
_chemical_formula_sum            'C30 H25 O5 P'
_chemical_formula_weight         496.47
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C1 H1 O1 P1'
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'
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.32193(5)
_cell_length_b                   15.92387(9)
_cell_length_c                   17.03098(8)
_cell_angle_alpha                90
_cell_angle_beta                 91.9636(4)
_cell_angle_gamma                90
_cell_volume                     2526.62(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    18639
_cell_measurement_temperature    299.51(12)
_cell_measurement_theta_max      76.5060
_cell_measurement_theta_min      3.7850
_shelx_estimated_absorpt_T_max   0.861
_shelx_estimated_absorpt_T_min   0.851
_exptl_absorpt_coefficient_mu    1.284
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83585
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.59a (Rigaku Oxford Diffraction, 2019)
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    1.305
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1040
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_av_unetI/netI     0.0208
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            24076
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.496
_diffrn_reflns_theta_min         3.801
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      299.51(12)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -82.00  20.00   0.50    0.30    --  -46.37 101.00-164.00  204
  2  ω    -16.00  82.00   0.50    0.30    --   46.37-101.00  91.00  196
  3  ω   -175.00 -83.00   0.50    1.00    -- -102.00-101.00  91.00  184
  4  ω   -109.00 -29.00   0.50    1.00    -- -102.00 101.00-164.00  160
  5  ω     33.00 110.00   0.50    1.00    --  106.06-101.00  91.00  154
  6  ω     87.00 178.00   0.50    1.00    --  106.06 101.00-164.00  182
  7  ω    -24.00  29.00   0.50    0.30    --  -46.37  19.00-150.00  106
  8  ω    -24.00  29.00   0.50    0.30    --  -46.37  19.00   0.00  106
  9  ω   -118.00 -71.00   0.50    0.30    --  -46.37-125.00-120.00   94
 10  ω    -29.00  28.00   0.50    0.30    --   46.37 -19.00 150.00  114
 11  ω   -104.00 -29.00   0.50    1.00    -- -102.00  77.00  30.00  150
 12  ω   -175.00 -81.00   0.50    1.00    -- -102.00 -94.00  60.00  188
 13  ω    -69.00 -29.00   0.50    1.00    -- -102.00  61.00 -60.00   80
 14  ω    -69.00 -29.00   0.50    1.00    -- -102.00  61.00 -30.00   80
 15  ω    -69.00 -29.00   0.50    1.00    -- -102.00  61.00   0.00   80
 16  ω    -69.00 -29.00   0.50    1.00    -- -102.00  61.00  30.00   80
 17  ω   -104.00 -29.00   0.50    1.00    -- -102.00  77.00 -30.00  150
 18  ω     33.00  70.00   0.50    1.00    --  106.06 -61.00 -90.00   74
 19  ω     35.00  73.00   0.50    1.00    --  106.06 -61.00 120.00   76
 20  ω     33.00 107.00   0.50    1.00    --  106.06 -77.00  90.00  148
 21  ω     34.00  64.00   0.50    1.00    --  106.06 -61.00  90.00   60
 22  ω    122.00 178.00   0.50    1.00    --  106.06  61.00-180.00  112
 23  ω     33.00  73.00   0.50    1.00    --  106.06 -61.00-180.00   80
 24  ω     89.00 102.50   0.50    1.00    --  106.06  61.00-180.00   27
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0688737000
_diffrn_orient_matrix_UB_12      -0.0741956000
_diffrn_orient_matrix_UB_13      0.0428671000
_diffrn_orient_matrix_UB_21      -0.1315488000
_diffrn_orient_matrix_UB_22      0.0548886000
_diffrn_orient_matrix_UB_23      0.0167423000
_diffrn_orient_matrix_UB_31      -0.0727026000
_diffrn_orient_matrix_UB_32      -0.0290200000
_diffrn_orient_matrix_UB_33      -0.0779531000
_diffrn_oxdiff_digest_frames     
;
015573789e8c84cc7c7975dfba053127bd00038fe94
;
_diffrn_oxdiff_digest_hkl        
;
01f1e34d3675d1138ee5c92ad46ec0d7cbceb3
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\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                4802
_reflns_number_total             5125
_reflns_odcompleteness_completeness 100.00
_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 1.171.40.59a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.59a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.59a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.191
_refine_diff_density_min         -0.346
_refine_diff_density_rms         0.049
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     327
_refine_ls_number_reflns         5125
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0398
_refine_ls_restrained_S_all      1.067
_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)+(0.0582P)²+0.6245P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1079
_refine_ls_wR_factor_ref         0.1095
_refine_special_details          ?
_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
2.a Aromatic/amide H refined with riding coordinates:
 C15(H15), C4(H4), C7(H7), C20(H20), C3(H3), C24(H24), C12(H12), C14(H14),
 C10(H10), C21(H21), C23(H23), C11(H11), C22(H22), C13(H13), C30(H30), C26(H26),
  C28(H28), C27(H27), C29(H29)
2.b Idealised Me refined as rotating group:
 C18(H18a,H18b,H18c), C1(H1a,H1b,H1c)
;
_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 0.82254(3) 0.56007(2) 0.68014(2) 0.03718(11) Uani 1 1 d . . . . .
O2 O 0.56491(9) 0.60491(5) 0.62508(5) 0.0361(2) Uani 1 1 d . . . . .
O5 O 0.97668(11) 0.57357(7) 0.66775(7) 0.0553(3) Uani 1 1 d . . . . .
O4 O 0.87072(12) 0.62514(8) 0.50526(6) 0.0578(3) Uani 1 1 d . . . . .
O3 O 0.65531(14) 0.56911(9) 0.47915(7) 0.0619(3) Uani 1 1 d . . . . .
O1 O 0.14187(12) 0.83911(8) 0.55782(9) 0.0676(4) Uani 1 1 d . . . . .
C6 C 0.49991(13) 0.75109(8) 0.61050(7) 0.0333(3) Uani 1 1 d . . . . .
C5 C 0.46349(13) 0.66648(8) 0.60734(7) 0.0323(2) Uani 1 1 d . . . . .
C15 C 0.74984(13) 0.71418(8) 0.62760(7) 0.0342(3) Uani 1 1 d . . . . .
H15 H 0.8457 0.7284 0.6368 0.041 Uiso 1 1 calc R . . . .
C8 C 0.64952(13) 0.77350(8) 0.63109(7) 0.0324(2) Uani 1 1 d . . . . .
C9 C 0.68582(13) 0.85892(8) 0.66063(7) 0.0351(3) Uani 1 1 d . . . . .
C17 C 0.73999(14) 0.60217(8) 0.52332(8) 0.0373(3) Uani 1 1 d . . . . .
C16 C 0.71023(13) 0.62434(8) 0.60897(7) 0.0335(3) Uani 1 1 d . . . . .
C4 C 0.32353(14) 0.64083(9) 0.59153(8) 0.0395(3) Uani 1 1 d . . . . .
H4 H 0.3005 0.5840 0.5912 0.047 Uiso 1 1 calc R . . . .
C19 C 0.76811(15) 0.45162(9) 0.67388(8) 0.0399(3) Uani 1 1 d . . . . .
C7 C 0.39303(14) 0.81070(9) 0.59311(8) 0.0412(3) Uani 1 1 d . . . . .
H7 H 0.4156 0.8676 0.5935 0.049 Uiso 1 1 calc R . . . .
C20 C 0.66602(17) 0.41885(9) 0.62100(9) 0.0462(3) Uani 1 1 d . . . . .
H20 H 0.6150 0.4544 0.5869 0.055 Uiso 1 1 calc R . . . .
C3 C 0.21837(14) 0.70040(10) 0.57631(9) 0.0451(3) Uani 1 1 d . . . . .
H3 H 0.1238 0.6837 0.5667 0.054 Uiso 1 1 calc R . . . .
C25 C 0.76922(18) 0.59795(9) 0.77488(8) 0.0472(3) Uani 1 1 d . . . . .
C2 C 0.25354(14) 0.78489(10) 0.57534(9) 0.0446(3) Uani 1 1 d . . . . .
C24 C 0.8430(2) 0.39720(10) 0.72483(9) 0.0537(4) Uani 1 1 d . . . . .
H24 H 0.9121 0.4185 0.7602 0.064 Uiso 1 1 calc R . . . .
C12 C 0.76090(19) 1.01348(10) 0.72663(11) 0.0568(4) Uani 1 1 d . . . . .
H12 H 0.7851 1.0655 0.7481 0.068 Uiso 1 1 calc R . . . .
C14 C 0.78665(19) 0.90889(11) 0.62612(10) 0.0546(4) Uani 1 1 d . . . . .
H14 H 0.8306 0.8908 0.5809 0.066 Uiso 1 1 calc R . . . .
C10 C 0.62410(19) 0.88666(10) 0.72859(10) 0.0547(4) Uani 1 1 d . . . . .
H10 H 0.5554 0.8537 0.7522 0.066 Uiso 1 1 calc R . . . .
C21 C 0.6404(2) 0.33294(10) 0.61923(11) 0.0592(4) Uani 1 1 d . . . . .
H21 H 0.5729 0.3109 0.5834 0.071 Uiso 1 1 calc R . . . .
C23 C 0.8153(2) 0.31207(11) 0.72305(11) 0.0650(5) Uani 1 1 d . . . . .
H23 H 0.8649 0.2762 0.7575 0.078 Uiso 1 1 calc R . . . .
C11 C 0.6632(2) 0.96296(12) 0.76208(11) 0.0613(4) Uani 1 1 d . . . . .
H11 H 0.6231 0.9799 0.8087 0.074 Uiso 1 1 calc R . . . .
C22 C 0.7142(2) 0.28021(11) 0.67017(12) 0.0667(5) Uani 1 1 d . . . . .
H22 H 0.6957 0.2228 0.6690 0.080 Uiso 1 1 calc R . . . .
C13 C 0.8226(2) 0.98654(12) 0.65909(12) 0.0677(5) Uani 1 1 d . . . . .
H13 H 0.8892 1.0205 0.6350 0.081 Uiso 1 1 calc R . . . .
C30 C 0.8696(3) 0.64335(12) 0.81959(12) 0.0716(6) Uani 1 1 d . . . . .
H30 H 0.9605 0.6538 0.8009 0.086 Uiso 1 1 calc R . . . .
C26 C 0.6349(2) 0.58278(15) 0.80399(10) 0.0681(5) Uani 1 1 d . . . . .
H26 H 0.5684 0.5511 0.7748 0.082 Uiso 1 1 calc R . . . .
C18 C 0.9175(2) 0.60210(16) 0.42800(11) 0.0750(6) Uani 1 1 d . . . . .
H18A H 0.8535 0.6261 0.3887 0.112 Uiso 1 1 calc GR . . . .
H18B H 0.9169 0.5421 0.4229 0.112 Uiso 1 1 calc GR . . . .
H18C H 1.0129 0.6228 0.4211 0.112 Uiso 1 1 calc GR . . . .
C1 C 0.1748(2) 0.92481(13) 0.55008(16) 0.0776(6) Uani 1 1 d . . . . .
H1A H 0.2438 0.9318 0.5100 0.116 Uiso 1 1 calc GR . . . .
H1B H 0.2140 0.9457 0.5991 0.116 Uiso 1 1 calc GR . . . .
H1C H 0.0891 0.9554 0.5358 0.116 Uiso 1 1 calc GR . . . .
C28 C 0.6965(5) 0.6601(2) 0.92010(14) 0.1108(12) Uani 1 1 d . . . . .
H28 H 0.6710 0.6822 0.9682 0.133 Uiso 1 1 calc R . . . .
C27 C 0.5991(3) 0.6146(2) 0.87627(13) 0.0985(9) Uani 1 1 d . . . . .
H27 H 0.5081 0.6048 0.8951 0.118 Uiso 1 1 calc R . . . .
C29 C 0.8312(4) 0.67324(15) 0.89369(15) 0.1033(10) Uani 1 1 d . . . . .
H29 H 0.8982 0.7023 0.9250 0.124 Uiso 1 1 calc R . . . .


_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 O5 1.4751(11) . ?
P1 C16 1.8776(13) . ?
P1 C19 1.8021(14) . ?
P1 C25 1.8081(15) . ?
O2 C5 1.3880(15) . ?
O2 C16 1.4254(14) . ?
O4 C17 1.3188(17) . ?
O4 C18 1.4474(19) . ?
O3 C17 1.1940(17) . ?
O1 C2 1.3772(17) . ?
O1 C1 1.406(2) . ?
C6 C5 1.3901(18) . ?
C6 C8 1.4703(16) . ?
C6 C7 1.4003(18) . ?
C5 C4 1.3847(17) . ?
C15 H15 0.9300 . ?
C15 C8 1.3319(17) . ?
C15 C16 1.5086(17) . ?
C8 C9 1.4852(17) . ?
C9 C14 1.378(2) . ?
C9 C10 1.383(2) . ?
C17 C16 1.5353(17) . ?
C4 H4 0.9300 . ?
C4 C3 1.382(2) . ?
C19 C20 1.389(2) . ?
C19 C24 1.397(2) . ?
C7 H7 0.9300 . ?
C7 C2 1.3872(19) . ?
C20 H20 0.9300 . ?
C20 C21 1.389(2) . ?
C3 H3 0.9300 . ?
C3 C2 1.385(2) . ?
C25 C30 1.389(2) . ?
C25 C26 1.384(3) . ?
C24 H24 0.9300 . ?
C24 C23 1.380(2) . ?
C12 H12 0.9300 . ?
C12 C11 1.371(3) . ?
C12 C13 1.372(3) . ?
C14 H14 0.9300 . ?
C14 C13 1.394(2) . ?
C10 H10 0.9300 . ?
C10 C11 1.386(2) . ?
C21 H21 0.9300 . ?
C21 C22 1.375(3) . ?
C23 H23 0.9300 . ?
C23 C22 1.378(3) . ?
C11 H11 0.9300 . ?
C22 H22 0.9300 . ?
C13 H13 0.9300 . ?
C30 H30 0.9300 . ?
C30 C29 1.407(4) . ?
C26 H26 0.9300 . ?
C26 C27 1.382(3) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C28 H28 0.9300 . ?
C28 C27 1.364(5) . ?
C28 C29 1.364(5) . ?
C27 H27 0.9300 . ?
C29 H29 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
O5 P1 C16 110.65(6) . . ?
O5 P1 C19 113.88(7) . . ?
O5 P1 C25 112.21(8) . . ?
C19 P1 C16 109.54(6) . . ?
C19 P1 C25 106.67(7) . . ?
C25 P1 C16 103.30(6) . . ?
C5 O2 C16 116.72(9) . . ?
C17 O4 C18 116.81(13) . . ?
C2 O1 C1 117.58(14) . . ?
C5 C6 C8 118.22(11) . . ?
C5 C6 C7 118.53(11) . . ?
C7 C6 C8 123.24(12) . . ?
O2 C5 C6 120.83(11) . . ?
C4 C5 O2 117.65(11) . . ?
C4 C5 C6 121.38(12) . . ?
C8 C15 H15 119.5 . . ?
C8 C15 C16 120.98(11) . . ?
C16 C15 H15 119.5 . . ?
C6 C8 C9 120.42(11) . . ?
C15 C8 C6 118.61(11) . . ?
C15 C8 C9 120.83(11) . . ?
C14 C9 C8 122.35(12) . . ?
C14 C9 C10 118.81(13) . . ?
C10 C9 C8 118.66(12) . . ?
O4 C17 C16 110.88(11) . . ?
O3 C17 O4 124.86(13) . . ?
O3 C17 C16 124.26(13) . . ?
O2 C16 P1 105.67(8) . . ?
O2 C16 C15 113.13(10) . . ?
O2 C16 C17 109.68(10) . . ?
C15 C16 P1 104.72(8) . . ?
C15 C16 C17 111.52(10) . . ?
C17 C16 P1 111.90(8) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 C5 119.44(13) . . ?
C3 C4 H4 120.3 . . ?
C20 C19 P1 125.69(11) . . ?
C20 C19 C24 119.12(14) . . ?
C24 C19 P1 115.10(12) . . ?
C6 C7 H7 120.0 . . ?
C2 C7 C6 120.01(13) . . ?
C2 C7 H7 120.0 . . ?
C19 C20 H20 120.1 . . ?
C21 C20 C19 119.83(15) . . ?
C21 C20 H20 120.1 . . ?
C4 C3 H3 119.9 . . ?
C4 C3 C2 120.15(12) . . ?
C2 C3 H3 119.9 . . ?
C30 C25 P1 117.53(15) . . ?
C26 C25 P1 122.77(13) . . ?
C26 C25 C30 119.69(17) . . ?
O1 C2 C7 123.88(14) . . ?
O1 C2 C3 115.73(13) . . ?
C3 C2 C7 120.37(13) . . ?
C19 C24 H24 119.8 . . ?
C23 C24 C19 120.45(17) . . ?
C23 C24 H24 119.8 . . ?
C11 C12 H12 120.3 . . ?
C11 C12 C13 119.30(15) . . ?
C13 C12 H12 120.3 . . ?
C9 C14 H14 120.1 . . ?
C9 C14 C13 119.89(15) . . ?
C13 C14 H14 120.1 . . ?
C9 C10 H10 119.6 . . ?
C9 C10 C11 120.90(15) . . ?
C11 C10 H10 119.6 . . ?
C20 C21 H21 119.8 . . ?
C22 C21 C20 120.41(17) . . ?
C22 C21 H21 119.8 . . ?
C24 C23 H23 120.0 . . ?
C22 C23 C24 119.94(16) . . ?
C22 C23 H23 120.0 . . ?
C12 C11 C10 120.19(16) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C21 C22 C23 120.25(16) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 H22 119.9 . . ?
C12 C13 C14 120.88(17) . . ?
C12 C13 H13 119.6 . . ?
C14 C13 H13 119.6 . . ?
C25 C30 H30 120.6 . . ?
C25 C30 C29 118.7(3) . . ?
C29 C30 H30 120.6 . . ?
C25 C26 H26 119.9 . . ?
C27 C26 C25 120.3(2) . . ?
C27 C26 H26 119.9 . . ?
O4 C18 H18A 109.5 . . ?
O4 C18 H18B 109.5 . . ?
O4 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C27 C28 H28 119.9 . . ?
C27 C28 C29 120.3(2) . . ?
C29 C28 H28 119.9 . . ?
C26 C27 H27 119.8 . . ?
C28 C27 C26 120.4(3) . . ?
C28 C27 H27 119.8 . . ?
C30 C29 H29 119.7 . . ?
C28 C29 C30 120.6(2) . . ?
C28 C29 H29 119.7 . . ?

_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 3.693
_oxdiff_exptl_absorpt_empirical_full_min 0.341
