# Electronic Supplementary Material (ESI) for Chemical Communications.
# 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_zxs-ag2o
_database_code_depnum_ccdc_archive 'CCDC 2152922'
loop_
_audit_author_name
_audit_author_address
'zheng liu'
;sichuan university
China
;
_audit_update_record             
;
2022-02-18 deposited with the CCDC.	2022-05-19 downloaded from the CCDC.
;
_audit_creation_date             2020-11-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H21 N2, H2 O, C2 F3 O2'
_chemical_formula_sum            'C26 H23 F3 N2 O3'
_chemical_formula_weight         468.46
_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'
F F 0.0727 0.0534 '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'

_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                   7.9876(4)
_cell_length_b                   10.9369(6)
_cell_length_c                   13.1476(7)
_cell_angle_alpha                84.081(5)
_cell_angle_beta                 83.827(5)
_cell_angle_gamma                81.200(5)
_cell_volume                     1124.07(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3665
_cell_measurement_temperature    297.4(3)
_cell_measurement_theta_max      71.0880
_cell_measurement_theta_min      4.0660
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.908
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.65405
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
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    1.384
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             488
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0433
_diffrn_reflns_av_unetI/netI     0.0327
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12035
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.330
_diffrn_reflns_theta_min         4.106
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      297.4(3)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 15.9595
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -73.00  37.00   1.00    1.95    --  -34.85  19.00-120.00  110
  2  ω   -103.00 -16.00   1.00    1.95    --  -34.85 -57.00  60.00   87
  3  ω      1.00  75.00   1.00    1.95    --   34.85 -99.00-180.00   74
  4  ω      1.00  75.00   1.00    1.95    --   34.85 -99.00  30.00   74
  5  ω    -34.00  53.00   1.00    1.95    --   34.85 -57.00 120.00   87
  6  ω    -34.00  63.00   1.00    1.95    --   34.85 -77.00   0.00   97
  7  ω     23.00  90.00   1.00    1.95    --   34.85-125.00-180.00   67
  8  ω     16.00 103.00   1.00    1.95    --   34.85  57.00 -60.00   87
  9  ω     16.00 103.00   1.00    1.95    --   34.85  57.00 -90.00   87
 10  ω    -36.00  57.00   1.00    1.95    --   34.85 -38.00   0.00   93
 11  ω      1.00  75.00   1.00    1.95    --   34.85 -99.00 -60.00   74
 12  ω     57.00 151.00   1.00    7.79    --  106.90 178.00-180.00   94
 13  ω     37.00 110.00   1.00    7.79    --  106.90 -94.00 -90.00   73
 14  ω     35.00 133.00   1.00    7.79    --  106.90 -30.00  30.00   98
 15  ω     39.00 127.00   1.00    7.79    --  106.90 -61.00 -60.00   88
 16  ω     37.00 110.00   1.00    7.79    --  106.90 -94.00-180.00   73
 17  ω     57.00 151.00   1.00    7.79    --  106.90 178.00 150.00   94
 18  ω     87.00 175.00   1.00    7.79    --  106.90  61.00  90.00   88
 19  ω     35.00 133.00   1.00    7.79    --  106.90 -30.00 120.00   98
 20  ω     39.00 127.00   1.00    7.79    --  106.90 -61.00-180.00   88
 21  ω     87.00 175.00   1.00    7.79    --  106.90  61.00 -90.00   88
 22  ω     87.00 177.00   1.00    7.79    --  106.90  45.00   0.00   90
 23  ω     35.00 133.00   1.00    7.79    --  106.90 -30.00 -60.00   98
 24  ω     87.00 177.00   1.00    7.79    --  106.90  45.00 -60.00   90
 25  ω     36.00 113.00   1.00    7.79    --  106.90-111.00 150.00   77
 26  ω   -103.00 -16.00   1.00    1.95    --  -34.85 -57.00 150.00   87
 27  ω      6.00 104.00   1.00    1.95    --   34.85  77.00  90.00   98
 28  ω      6.00 104.00   1.00    1.95    --   34.85  77.00 150.00   98
 29  ω      6.00 104.00   1.00    1.95    --   34.85  77.00   0.00   98
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Gemini, Dual, Cu at home/near, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0114430000
_diffrn_orient_matrix_UB_12      -0.1176716000
_diffrn_orient_matrix_UB_13      -0.0569512000
_diffrn_orient_matrix_UB_21      0.0229761000
_diffrn_orient_matrix_UB_22      -0.0813139000
_diffrn_orient_matrix_UB_23      0.1017990000
_diffrn_orient_matrix_UB_31      -0.1943353000
_diffrn_orient_matrix_UB_32      0.0041684000
_diffrn_orient_matrix_UB_33      0.0198230000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3240
_reflns_number_total             4283
_reflns_odcompleteness_completeness 99.63
_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 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_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         0.441
_refine_diff_density_min         -0.381
_refine_diff_density_rms         0.057
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     323
_refine_ls_number_reflns         4283
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0968
_refine_ls_R_factor_gt           0.0811
_refine_ls_restrained_S_all      1.066
_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)+(0.1656P)²+0.2653P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2433
_refine_ls_wR_factor_ref         0.2704
_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, All O(H,H) groups
2. Others
 Sof(O00Z)=1-FVAR(1)
 Sof(O00Y)=FVAR(1)
3.a Free rotating group:
 O003(H00U,H00V)
3.b Aromatic/amide H refined with riding coordinates:
 C009(H009), C00D(H00D), C00E(H00E), C00F(H00F), C00G(H00G), C00H(H00H),
 C00I(H00I), C00M(H00M), C00N(H00N), C00O(H00O), C00P(H00P), C00Q(H00Q)
3.c Idealised Me refined as rotating group:
 C00J(H00A,H00B,H00C), C00V(H00J,H00K,H00L), C00X(H00R,H00S,H00T)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_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
N001 N 0.5792(3) 0.67662(18) 0.53696(16) 0.0501(5) Uani 1 1 d . . . . .
N002 N 0.5019(3) 0.82766(19) 0.42287(17) 0.0544(5) Uani 1 1 d . . . . .
O003 O 0.8438(4) 0.8659(3) 0.5274(3) 0.0994(8) Uani 1 1 d . . . . .
H00U H 0.8721 0.8963 0.4670 0.149 Uiso 1 1 d G . . . .
H00V H 0.9206 0.8710 0.5661 0.149 Uiso 1 1 d G . . . .
C004 C 0.6645(3) 0.5613(2) 0.5787(2) 0.0520(6) Uani 1 1 d . . . . .
C005 C 0.6056(3) 0.7198(2) 0.43662(19) 0.0501(6) Uani 1 1 d . . . . .
C006 C 0.7174(3) 0.6479(2) 0.3636(2) 0.0541(6) Uani 1 1 d . . . . .
F007 F 0.8097(5) 1.0039(4) 0.1370(2) 0.1484(13) Uani 1 1 d . . . . .
C008 C 0.6567(3) 0.5277(2) 0.6846(2) 0.0593(7) Uani 1 1 d . . . . .
C009 C 0.4531(3) 0.7582(2) 0.5852(2) 0.0562(6) Uani 1 1 d . . . . .
H009 H 0.4085 0.7502 0.6534 0.067 Uiso 1 1 calc R . . . .
C00A C 0.7813(3) 0.5252(2) 0.3992(2) 0.0562(6) Uani 1 1 d . . . . .
C00B C 0.5944(3) 0.6114(3) 0.7679(2) 0.0595(7) Uani 1 1 d . . . . .
C00C C 0.7561(3) 0.4824(2) 0.5076(2) 0.0578(7) Uani 1 1 d . . . . .
C00D C 0.4079(3) 0.8511(2) 0.5139(2) 0.0590(6) Uani 1 1 d . . . . .
H00D H 0.3261 0.9199 0.5247 0.071 Uiso 1 1 calc R . . . .
C00E C 0.7597(4) 0.6922(3) 0.2626(2) 0.0637(7) Uani 1 1 d . . . . .
H00E H 0.7212 0.7743 0.2408 0.076 Uiso 1 1 calc R . . . .
C00F C 0.6647(4) 0.7173(3) 0.7748(2) 0.0655(7) Uani 1 1 d . . . . .
H00F H 0.7441 0.7426 0.7229 0.079 Uiso 1 1 calc R . . . .
C00G C 0.8767(4) 0.4492(3) 0.3270(3) 0.0730(8) Uani 1 1 d . . . . .
H00G H 0.9163 0.3668 0.3474 0.088 Uiso 1 1 calc R . . . .
C00H C 0.8297(4) 0.3639(3) 0.5454(3) 0.0706(8) Uani 1 1 d . . . . .
H00H H 0.8910 0.3101 0.4999 0.085 Uiso 1 1 calc R . . . .
C00I C 0.4756(4) 0.5767(3) 0.8465(3) 0.0770(9) Uani 1 1 d . . . . .
H00I H 0.4274 0.5051 0.8434 0.092 Uiso 1 1 calc R . . . .
C00J C 0.4769(4) 0.9091(3) 0.3288(2) 0.0723(8) Uani 1 1 d . . . . .
H00A H 0.5775 0.9466 0.3076 0.108 Uiso 1 1 calc GR . . . .
H00B H 0.3820 0.9728 0.3413 0.108 Uiso 1 1 calc GR . . . .
H00C H 0.4546 0.8614 0.2757 0.108 Uiso 1 1 calc GR . . . .
C00K C 0.8579(4) 0.6170(3) 0.1938(2) 0.0727(8) Uani 1 1 d . . . . .
C00L C 0.4995(5) 0.7513(4) 0.9374(2) 0.0798(9) Uani 1 1 d . . . . .
C00M C 0.6178(4) 0.7864(3) 0.8586(3) 0.0738(8) Uani 1 1 d . . . . .
H00M H 0.6665 0.8577 0.8622 0.089 Uiso 1 1 calc R . . . .
C00N C 0.7283(4) 0.4071(3) 0.7163(3) 0.0742(8) Uani 1 1 d . . . . .
H00N H 0.7189 0.3802 0.7858 0.089 Uiso 1 1 calc R . . . .
C00O C 0.8131(4) 0.3263(3) 0.6468(3) 0.0782(9) Uani 1 1 d . . . . .
H00O H 0.8587 0.2462 0.6700 0.094 Uiso 1 1 calc R . . . .
C00P C 0.9116(4) 0.4948(3) 0.2278(3) 0.0782(9) Uani 1 1 d . . . . .
H00P H 0.9735 0.4422 0.1816 0.094 Uiso 1 1 calc R . . . .
C00Q C 0.4281(5) 0.6469(4) 0.9292(3) 0.0856(10) Uani 1 1 d . . . . .
H00Q H 0.3464 0.6229 0.9801 0.103 Uiso 1 1 calc R . . . .
C00R C 0.9471(5) 1.0377(4) 0.2791(3) 0.0868(10) Uani 1 1 d . . . . .
F00S F 0.9484(7) 1.1517(5) 0.1179(3) 0.207(2) Uani 1 1 d . . . . .
C00T C 0.9416(5) 1.0454(5) 0.1659(3) 0.0965(12) Uani 1 1 d . . . . .
O00U O 0.8823(7) 0.9576(4) 0.3306(3) 0.1590(18) Uani 1 1 d . . . . .
C00V C 0.9068(6) 0.6656(5) 0.0854(3) 0.1055(14) Uani 1 1 d . . . . .
H00J H 0.8142 0.6658 0.0444 0.158 Uiso 1 1 calc GR . . . .
H00K H 1.0053 0.6135 0.0577 0.158 Uiso 1 1 calc GR . . . .
H00L H 0.9321 0.7488 0.0848 0.158 Uiso 1 1 calc GR . . . .
F00W F 1.0756(6) 0.9783(7) 0.1243(4) 0.239(3) Uani 1 1 d . . . . .
C00X C 0.4521(7) 0.8250(5) 1.0300(3) 0.1135(15) Uani 1 1 d . . . . .
H00R H 0.4974 0.7778 1.0891 0.170 Uiso 1 1 calc GR . . . .
H00S H 0.3304 0.8421 1.0420 0.170 Uiso 1 1 calc GR . . . .
H00T H 0.4983 0.9017 1.0177 0.170 Uiso 1 1 calc GR . . . .
O00Y O 0.9614(10) 1.1402(5) 0.3137(4) 0.111(3) Uani 0.564(10) 1 d . . P A 1
O00Z O 1.0918(14) 1.0283(15) 0.3037(7) 0.171(6) Uani 0.436(10) 1 d . . P A 2


_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
N001 C004 1.425(3) . ?
N001 C005 1.360(3) . ?
N001 C009 1.384(3) . ?
N002 C005 1.342(3) . ?
N002 C00D 1.369(4) . ?
N002 C00J 1.461(4) . ?
O003 H00U 0.8497 . ?
O003 H00V 0.8501 . ?
C004 C008 1.399(4) . ?
C004 C00C 1.407(4) . ?
C005 C006 1.447(4) . ?
C006 C00A 1.412(4) . ?
C006 C00E 1.390(4) . ?
F007 C00T 1.315(5) . ?
C008 C00B 1.495(4) . ?
C008 C00N 1.396(4) . ?
C009 H009 0.9300 . ?
C009 C00D 1.344(4) . ?
C00A C00C 1.456(4) . ?
C00A C00G 1.409(4) . ?
C00B C00F 1.378(4) . ?
C00B C00I 1.390(4) . ?
C00C C00H 1.404(4) . ?
C00D H00D 0.9300 . ?
C00E H00E 0.9300 . ?
C00E C00K 1.384(4) . ?
C00F H00F 0.9300 . ?
C00F C00M 1.387(4) . ?
C00G H00G 0.9300 . ?
C00G C00P 1.363(5) . ?
C00H H00H 0.9300 . ?
C00H C00O 1.353(5) . ?
C00I H00I 0.9300 . ?
C00I C00Q 1.382(5) . ?
C00J H00A 0.9600 . ?
C00J H00B 0.9600 . ?
C00J H00C 0.9600 . ?
C00K C00P 1.383(5) . ?
C00K C00V 1.501(5) . ?
C00L C00M 1.390(5) . ?
C00L C00Q 1.371(6) . ?
C00L C00X 1.511(5) . ?
C00M H00M 0.9300 . ?
C00N H00N 0.9300 . ?
C00N C00O 1.386(5) . ?
C00O H00O 0.9300 . ?
C00P H00P 0.9300 . ?
C00Q H00Q 0.9300 . ?
C00R C00T 1.487(5) . ?
C00R O00U 1.199(5) . ?
C00R O00Y 1.277(6) . ?
C00R O00Z 1.220(10) . ?
F00S C00T 1.270(6) . ?
C00T F00W 1.303(6) . ?
C00V H00J 0.9600 . ?
C00V H00K 0.9600 . ?
C00V H00L 0.9600 . ?
C00X H00R 0.9600 . ?
C00X H00S 0.9600 . ?
C00X H00T 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
C005 N001 C004 122.9(2) . . ?
C005 N001 C009 108.7(2) . . ?
C009 N001 C004 128.2(2) . . ?
C005 N002 C00D 108.7(2) . . ?
C005 N002 C00J 129.2(2) . . ?
C00D N002 C00J 122.0(2) . . ?
H00U O003 H00V 109.5 . . ?
C008 C004 N001 122.0(2) . . ?
C008 C004 C00C 121.7(2) . . ?
C00C C004 N001 116.3(2) . . ?
N001 C005 C006 121.7(2) . . ?
N002 C005 N001 107.3(2) . . ?
N002 C005 C006 130.7(2) . . ?
C00A C006 C005 116.2(2) . . ?
C00E C006 C005 123.8(2) . . ?
C00E C006 C00A 119.9(2) . . ?
C004 C008 C00B 126.6(2) . . ?
C00N C008 C004 117.0(3) . . ?
C00N C008 C00B 116.1(3) . . ?
N001 C009 H009 126.8 . . ?
C00D C009 N001 106.5(2) . . ?
C00D C009 H009 126.8 . . ?
C006 C00A C00C 120.6(2) . . ?
C00G C00A C006 117.4(3) . . ?
C00G C00A C00C 121.9(3) . . ?
C00F C00B C008 121.3(2) . . ?
C00F C00B C00I 118.3(3) . . ?
C00I C00B C008 120.1(3) . . ?
C004 C00C C00A 120.9(2) . . ?
C00H C00C C004 117.8(3) . . ?
C00H C00C C00A 121.3(3) . . ?
N002 C00D H00D 125.6 . . ?
C009 C00D N002 108.7(2) . . ?
C009 C00D H00D 125.6 . . ?
C006 C00E H00E 119.2 . . ?
C00K C00E C006 121.5(3) . . ?
C00K C00E H00E 119.2 . . ?
C00B C00F H00F 119.8 . . ?
C00B C00F C00M 120.4(3) . . ?
C00M C00F H00F 119.8 . . ?
C00A C00G H00G 119.6 . . ?
C00P C00G C00A 120.9(3) . . ?
C00P C00G H00G 119.6 . . ?
C00C C00H H00H 119.4 . . ?
C00O C00H C00C 121.3(3) . . ?
C00O C00H H00H 119.4 . . ?
C00B C00I H00I 119.5 . . ?
C00Q C00I C00B 121.0(3) . . ?
C00Q C00I H00I 119.5 . . ?
N002 C00J H00A 109.5 . . ?
N002 C00J H00B 109.5 . . ?
N002 C00J H00C 109.5 . . ?
H00A C00J H00B 109.5 . . ?
H00A C00J H00C 109.5 . . ?
H00B C00J H00C 109.5 . . ?
C00E C00K C00V 121.5(3) . . ?
C00P C00K C00E 118.0(3) . . ?
C00P C00K C00V 120.5(3) . . ?
C00M C00L C00X 121.2(4) . . ?
C00Q C00L C00M 118.0(3) . . ?
C00Q C00L C00X 120.8(4) . . ?
C00F C00M C00L 121.3(3) . . ?
C00F C00M H00M 119.3 . . ?
C00L C00M H00M 119.3 . . ?
C008 C00N H00N 119.1 . . ?
C00O C00N C008 121.8(3) . . ?
C00O C00N H00N 119.1 . . ?
C00H C00O C00N 120.1(3) . . ?
C00H C00O H00O 119.9 . . ?
C00N C00O H00O 119.9 . . ?
C00G C00P C00K 122.0(3) . . ?
C00G C00P H00P 119.0 . . ?
C00K C00P H00P 119.0 . . ?
C00I C00Q H00Q 119.5 . . ?
C00L C00Q C00I 121.1(3) . . ?
C00L C00Q H00Q 119.5 . . ?
O00U C00R C00T 118.1(4) . . ?
O00U C00R O00Y 122.2(5) . . ?
O00U C00R O00Z 106.2(8) . . ?
O00Y C00R C00T 114.4(4) . . ?
O00Z C00R C00T 112.5(6) . . ?
F007 C00T C00R 114.2(3) . . ?
F00S C00T F007 106.8(4) . . ?
F00S C00T C00R 116.3(5) . . ?
F00S C00T F00W 102.5(5) . . ?
F00W C00T F007 105.9(5) . . ?
F00W C00T C00R 110.0(4) . . ?
C00K C00V H00J 109.5 . . ?
C00K C00V H00K 109.5 . . ?
C00K C00V H00L 109.5 . . ?
H00J C00V H00K 109.5 . . ?
H00J C00V H00L 109.5 . . ?
H00K C00V H00L 109.5 . . ?
C00L C00X H00R 109.5 . . ?
C00L C00X H00S 109.5 . . ?
C00L C00X H00T 109.5 . . ?
H00R C00X H00S 109.5 . . ?
H00R C00X H00T 109.5 . . ?
H00S C00X H00T 109.5 . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_date_sample_data_collection 2020-11-12
_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.706
_oxdiff_exptl_absorpt_empirical_full_min 0.613
