# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_ly_a
_database_code_depnum_ccdc_archive 'CCDC 2151837'
loop_
_audit_author_name
_audit_author_address
'zhiwei chen'
;Chengdu institute of biology, Chinese academy of sciences
China
;
_audit_update_record             
;
2022-02-14 deposited with the CCDC.	2022-11-14 downloaded from the CCDC.
;
_audit_creation_date             2021-12-24
_audit_creation_method           
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H22 F N O4'
_chemical_formula_sum            'C23 H22 F N O4'
_chemical_formula_weight         395.41
_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'
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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   9.4819(3)
_cell_length_b                   11.7917(3)
_cell_length_c                   18.3290(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2049.32(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9910
_cell_measurement_temperature    169.99
_cell_measurement_theta_max      66.71
_cell_measurement_theta_min      4.46
_shelx_estimated_absorpt_T_max   0.941
_shelx_estimated_absorpt_T_min   0.934
_exptl_absorpt_coefficient_mu    0.775
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.282
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0428
_diffrn_reflns_av_unetI/netI     0.0283
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            19517
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        66.738
_diffrn_reflns_theta_max         66.738
_diffrn_reflns_theta_min         4.458
_diffrn_ambient_temperature      169.99
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.055
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.723
_reflns_Friedel_fraction_full    0.972
_reflns_Friedel_fraction_max     0.972
_reflns_number_gt                3512
_reflns_number_total             3586
_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       'SAINT V8.38A (2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.166
_refine_diff_density_min         -0.133
_refine_diff_density_rms         0.031
_refine_ls_abs_structure_details 
;
 Flack x determined using 1442 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.04(5)
_refine_ls_extinction_coef       0.0075(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         3586
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0285
_refine_ls_R_factor_gt           0.0278
_refine_ls_restrained_S_all      1.052
_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)+(0.0363P)²+0.2977P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0716
_refine_ls_wR_factor_ref         0.0721
_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
2.a Secondary CH2 refined with riding coordinates:
 C00E(H00A,H00B), C00G(H00C,H00D), C00M(H00E,H00F)
2.b Aromatic/amide H refined with riding coordinates:
 C00H(H00H), C00I(H00I), C00J(H00J), C00K(H00K), C00L(H00L), C00N(H00N),
 C00O(H00O), C00Q(H00Q), C00R(H00R), C00S(H00S)
2.c Idealised Me refined as rotating group:
 C00P(H00G,H00M,H00P), C00T(H00T,H00U,H00V)
;
_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
F001 F 0.28231(11) 0.50182(9) 0.86541(6) 0.0364(3) Uani 1 1 d . . . . .
O002 O 0.35866(13) 0.83426(10) 0.80269(7) 0.0317(3) Uani 1 1 d . . . . .
O003 O 0.05118(14) 0.65975(12) 0.83099(7) 0.0354(3) Uani 1 1 d . . . . .
O004 O 0.58303(14) 0.77961(12) 0.78374(8) 0.0414(3) Uani 1 1 d . . . . .
O005 O 0.06928(16) 0.75013(14) 0.72353(8) 0.0482(4) Uani 1 1 d . . . . .
N006 N 0.33419(15) 0.65362(12) 0.70031(8) 0.0277(3) Uani 1 1 d . . . . .
C007 C 0.32489(19) 0.59630(14) 0.64143(10) 0.0274(4) Uani 1 1 d . . . . .
C008 C 0.41495(19) 0.62329(15) 0.57809(10) 0.0296(4) Uani 1 1 d . . . . .
C009 C 0.11188(19) 0.68261(15) 0.76701(10) 0.0291(4) Uani 1 1 d . . . . .
C00A C 0.42748(18) 0.65786(16) 0.85002(9) 0.0281(4) Uani 1 1 d . . . . .
C00B C 0.32248(18) 0.59324(15) 0.82611(10) 0.0271(4) Uani 1 1 d . . . . .
C00C C 0.23983(18) 0.60509(14) 0.75581(9) 0.0267(4) Uani 1 1 d . . . . .
C00D C 0.46644(18) 0.76169(15) 0.80713(10) 0.0297(4) Uani 1 1 d . . . . .
C00E C 0.18773(19) 0.48980(15) 0.72428(10) 0.0313(4) Uani 1 1 d . . . . .
H00A H 0.2402 0.4255 0.7459 0.038 Uiso 1 1 calc R U . . .
H00B H 0.0856 0.4790 0.7332 0.038 Uiso 1 1 calc R U . . .
C00F C 0.51416(19) 0.63727(17) 0.91629(10) 0.0335(4) Uani 1 1 d . . . . .
C00G C 0.2187(2) 0.50122(17) 0.64305(10) 0.0338(4) Uani 1 1 d . . . . .
H00C H 0.2590 0.4303 0.6230 0.041 Uiso 1 1 calc R U . . .
H00D H 0.1326 0.5212 0.6153 0.041 Uiso 1 1 calc R U . . .
C00H C 0.3960(2) 0.56997(18) 0.51102(10) 0.0369(4) Uani 1 1 d . . . . .
H00H H 0.3249 0.5139 0.5057 0.044 Uiso 1 1 calc R U . . .
C00I C 0.5723(2) 0.7300(2) 0.95297(11) 0.0441(5) Uani 1 1 d . . . . .
H00I H 0.5519 0.8047 0.9366 0.053 Uiso 1 1 calc R U . . .
C00J C 0.4806(2) 0.5983(2) 0.45182(11) 0.0448(5) Uani 1 1 d . . . . .
H00J H 0.4663 0.5622 0.4061 0.054 Uiso 1 1 calc R U . . .
C00K C 0.5433(2) 0.5287(2) 0.94181(11) 0.0453(5) Uani 1 1 d . . . . .
H00K H 0.5041 0.4644 0.9180 0.054 Uiso 1 1 calc R U . . .
C00L C 0.5225(2) 0.70334(17) 0.58504(11) 0.0398(5) Uani 1 1 d . . . . .
H00L H 0.5377 0.7395 0.6307 0.048 Uiso 1 1 calc R U . . .
C00M C 0.3821(2) 0.93206(18) 0.75598(13) 0.0449(5) Uani 1 1 d . . . . .
H00E H 0.4011 0.9068 0.7054 0.054 Uiso 1 1 calc R U . . .
H00F H 0.4648 0.9755 0.7735 0.054 Uiso 1 1 calc R U . . .
C00N C 0.6068(3) 0.7304(2) 0.52639(12) 0.0498(6) Uani 1 1 d . . . . .
H00N H 0.6802 0.7847 0.5318 0.060 Uiso 1 1 calc R U . . .
C00O C 0.5849(2) 0.6786(2) 0.45929(11) 0.0471(5) Uani 1 1 d . . . . .
H00O H 0.6418 0.6985 0.4186 0.056 Uiso 1 1 calc R U . . .
C00P C -0.0740(2) 0.7241(2) 0.84873(12) 0.0456(5) Uani 1 1 d . . . . .
H00G H -0.1362 0.7270 0.8061 0.068 Uiso 1 1 calc R U . . .
H00M H -0.0471 0.8013 0.8628 0.068 Uiso 1 1 calc R U . . .
H00P H -0.1235 0.6875 0.8893 0.068 Uiso 1 1 calc R U . . .
C00Q C 0.6587(3) 0.7146(3) 1.01254(13) 0.0611(7) Uani 1 1 d . . . . .
H00Q H 0.6984 0.7784 1.0366 0.073 Uiso 1 1 calc R U . . .
C00R C 0.6300(3) 0.5145(3) 1.00240(13) 0.0628(7) Uani 1 1 d . . . . .
H00R H 0.6493 0.4402 1.0198 0.075 Uiso 1 1 calc R U . . .
C00S C 0.6878(3) 0.6062(3) 1.03726(14) 0.0700(9) Uani 1 1 d . . . . .
H00S H 0.7476 0.5954 1.0783 0.084 Uiso 1 1 calc R U . . .
C00T C 0.2563(3) 1.0039(3) 0.7574(2) 0.0881(11) Uani 1 1 d . . . . .
H00T H 0.2713 1.0703 0.7263 0.132 Uiso 1 1 calc R U . . .
H00U H 0.2382 1.0287 0.8076 0.132 Uiso 1 1 calc R U . . .
H00V H 0.1751 0.9607 0.7394 0.132 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
F001 C00B 1.351(2) . ?
O002 C00D 1.335(2) . ?
O002 C00M 1.453(2) . ?
O003 C009 1.334(2) . ?
O003 C00P 1.446(2) . ?
O004 C00D 1.204(2) . ?
O005 C009 1.197(2) . ?
N006 C007 1.276(2) . ?
N006 C00C 1.471(2) . ?
C007 C008 1.476(3) . ?
C007 C00G 1.507(3) . ?
C008 C00H 1.392(3) . ?
C008 C00L 1.395(3) . ?
C009 C00C 1.533(2) . ?
C00A C00B 1.328(3) . ?
C00A C00D 1.501(3) . ?
C00A C00F 1.487(2) . ?
C00B C00C 1.515(2) . ?
C00C C00E 1.558(2) . ?
C00E H00A 0.9900 . ?
C00E H00B 0.9900 . ?
C00E C00G 1.524(3) . ?
C00F C00I 1.397(3) . ?
C00F C00K 1.391(3) . ?
C00G H00C 0.9900 . ?
C00G H00D 0.9900 . ?
C00H H00H 0.9500 . ?
C00H C00J 1.390(3) . ?
C00I H00I 0.9500 . ?
C00I C00Q 1.377(3) . ?
C00J H00J 0.9500 . ?
C00J C00O 1.376(3) . ?
C00K H00K 0.9500 . ?
C00K C00R 1.392(3) . ?
C00L H00L 0.9500 . ?
C00L C00N 1.378(3) . ?
C00M H00E 0.9900 . ?
C00M H00F 0.9900 . ?
C00M C00T 1.463(4) . ?
C00N H00N 0.9500 . ?
C00N C00O 1.389(3) . ?
C00O H00O 0.9500 . ?
C00P H00G 0.9800 . ?
C00P H00M 0.9800 . ?
C00P H00P 0.9800 . ?
C00Q H00Q 0.9500 . ?
C00Q C00S 1.384(4) . ?
C00R H00R 0.9500 . ?
C00R C00S 1.370(4) . ?
C00S H00S 0.9500 . ?
C00T H00T 0.9800 . ?
C00T H00U 0.9800 . ?
C00T H00V 0.9800 . ?

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
C00D O002 C00M 115.32(15) . . ?
C009 O003 C00P 116.48(15) . . ?
C007 N006 C00C 109.68(14) . . ?
N006 C007 C008 120.73(16) . . ?
N006 C007 C00G 115.05(16) . . ?
C008 C007 C00G 124.22(16) . . ?
C00H C008 C007 121.51(17) . . ?
C00H C008 C00L 118.70(17) . . ?
C00L C008 C007 119.79(16) . . ?
O003 C009 C00C 109.80(14) . . ?
O005 C009 O003 125.04(17) . . ?
O005 C009 C00C 125.08(17) . . ?
C00B C00A C00D 118.66(16) . . ?
C00B C00A C00F 126.19(17) . . ?
C00F C00A C00D 115.15(16) . . ?
F001 C00B C00C 112.41(14) . . ?
C00A C00B F001 119.54(16) . . ?
C00A C00B C00C 128.00(16) . . ?
N006 C00C C009 110.01(14) . . ?
N006 C00C C00B 108.03(14) . . ?
N006 C00C C00E 106.02(13) . . ?
C009 C00C C00E 108.61(14) . . ?
C00B C00C C009 110.52(14) . . ?
C00B C00C C00E 113.53(15) . . ?
O002 C00D C00A 111.49(14) . . ?
O004 C00D O002 124.63(17) . . ?
O004 C00D C00A 123.74(17) . . ?
C00C C00E H00A 111.2 . . ?
C00C C00E H00B 111.2 . . ?
H00A C00E H00B 109.1 . . ?
C00G C00E C00C 102.96(14) . . ?
C00G C00E H00A 111.2 . . ?
C00G C00E H00B 111.2 . . ?
C00I C00F C00A 118.92(19) . . ?
C00K C00F C00A 122.33(18) . . ?
C00K C00F C00I 118.72(19) . . ?
C007 C00G C00E 102.35(15) . . ?
C007 C00G H00C 111.3 . . ?
C007 C00G H00D 111.3 . . ?
C00E C00G H00C 111.3 . . ?
C00E C00G H00D 111.3 . . ?
H00C C00G H00D 109.2 . . ?
C008 C00H H00H 119.8 . . ?
C00J C00H C008 120.43(19) . . ?
C00J C00H H00H 119.8 . . ?
C00F C00I H00I 119.6 . . ?
C00Q C00I C00F 120.9(2) . . ?
C00Q C00I H00I 119.6 . . ?
C00H C00J H00J 119.9 . . ?
C00O C00J C00H 120.16(19) . . ?
C00O C00J H00J 119.9 . . ?
C00F C00K H00K 120.1 . . ?
C00F C00K C00R 119.7(2) . . ?
C00R C00K H00K 120.1 . . ?
C008 C00L H00L 119.7 . . ?
C00N C00L C008 120.66(19) . . ?
C00N C00L H00L 119.7 . . ?
O002 C00M H00E 109.9 . . ?
O002 C00M H00F 109.9 . . ?
O002 C00M C00T 108.91(19) . . ?
H00E C00M H00F 108.3 . . ?
C00T C00M H00E 109.9 . . ?
C00T C00M H00F 109.9 . . ?
C00L C00N H00N 119.9 . . ?
C00L C00N C00O 120.1(2) . . ?
C00O C00N H00N 119.9 . . ?
C00J C00O C00N 119.91(19) . . ?
C00J C00O H00O 120.0 . . ?
C00N C00O H00O 120.0 . . ?
O003 C00P H00G 109.5 . . ?
O003 C00P H00M 109.5 . . ?
O003 C00P H00P 109.5 . . ?
H00G C00P H00M 109.5 . . ?
H00G C00P H00P 109.5 . . ?
H00M C00P H00P 109.5 . . ?
C00I C00Q H00Q 120.0 . . ?
C00I C00Q C00S 120.0(2) . . ?
C00S C00Q H00Q 120.0 . . ?
C00K C00R H00R 119.5 . . ?
C00S C00R C00K 120.9(3) . . ?
C00S C00R H00R 119.5 . . ?
C00Q C00S H00S 120.1 . . ?
C00R C00S C00Q 119.8(2) . . ?
C00R C00S H00S 120.1 . . ?
C00M C00T H00T 109.5 . . ?
C00M C00T H00U 109.5 . . ?
C00M C00T H00V 109.5 . . ?
H00T C00T H00U 109.5 . . ?
H00T C00T H00V 109.5 . . ?
H00U C00T H00V 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
F001 C00B C00C N006 -146.45(14) . . . . ?
F001 C00B C00C C009 93.15(17) . . . . ?
F001 C00B C00C C00E -29.2(2) . . . . ?
O003 C009 C00C N006 -160.50(14) . . . . ?
O003 C009 C00C C00B -41.28(19) . . . . ?
O003 C009 C00C C00E 83.87(17) . . . . ?
O005 C009 C00C N006 22.4(2) . . . . ?
O005 C009 C00C C00B 141.65(18) . . . . ?
O005 C009 C00C C00E -93.2(2) . . . . ?
N006 C007 C008 C00H -173.03(17) . . . . ?
N006 C007 C008 C00L 7.4(3) . . . . ?
N006 C007 C00G C00E -14.5(2) . . . . ?
N006 C00C C00E C00G -18.25(18) . . . . ?
C007 N006 C00C C009 -107.03(16) . . . . ?
C007 N006 C00C C00B 132.25(15) . . . . ?
C007 N006 C00C C00E 10.23(19) . . . . ?
C007 C008 C00H C00J 178.84(18) . . . . ?
C007 C008 C00L C00N -179.4(2) . . . . ?
C008 C007 C00G C00E 164.69(17) . . . . ?
C008 C00H C00J C00O 0.7(3) . . . . ?
C008 C00L C00N C00O 0.4(4) . . . . ?
C009 C00C C00E C00G 99.93(16) . . . . ?
C00A C00B C00C N006 31.1(2) . . . . ?
C00A C00B C00C C009 -89.3(2) . . . . ?
C00A C00B C00C C00E 148.36(18) . . . . ?
C00A C00F C00I C00Q -176.89(19) . . . . ?
C00A C00F C00K C00R 177.30(19) . . . . ?
C00B C00A C00D O002 60.5(2) . . . . ?
C00B C00A C00D O004 -123.7(2) . . . . ?
C00B C00A C00F C00I -151.04(19) . . . . ?
C00B C00A C00F C00K 31.1(3) . . . . ?
C00B C00C C00E C00G -136.69(15) . . . . ?
C00C N006 C007 C008 -176.54(15) . . . . ?
C00C N006 C007 C00G 2.7(2) . . . . ?
C00C C00E C00G C007 18.68(18) . . . . ?
C00D O002 C00M C00T -179.3(2) . . . . ?
C00D C00A C00B F001 -177.50(14) . . . . ?
C00D C00A C00B C00C 5.1(3) . . . . ?
C00D C00A C00F C00I 29.6(2) . . . . ?
C00D C00A C00F C00K -148.32(19) . . . . ?
C00F C00A C00B F001 3.1(3) . . . . ?
C00F C00A C00B C00C -174.23(17) . . . . ?
C00F C00A C00D O002 -120.06(16) . . . . ?
C00F C00A C00D O004 55.7(2) . . . . ?
C00F C00I C00Q C00S -0.7(3) . . . . ?
C00F C00K C00R C00S -0.3(4) . . . . ?
C00G C007 C008 C00H 7.8(3) . . . . ?
C00G C007 C008 C00L -171.75(18) . . . . ?
C00H C008 C00L C00N 1.0(3) . . . . ?
C00H C00J C00O C00N 0.8(3) . . . . ?
C00I C00F C00K C00R -0.6(3) . . . . ?
C00I C00Q C00S C00R -0.2(4) . . . . ?
C00K C00F C00I C00Q 1.1(3) . . . . ?
C00K C00R C00S C00Q 0.7(4) . . . . ?
C00L C008 C00H C00J -1.6(3) . . . . ?
C00L C00N C00O C00J -1.4(4) . . . . ?
C00M O002 C00D O004 10.2(3) . . . . ?
C00M O002 C00D C00A -174.06(15) . . . . ?
C00P O003 C009 O005 -1.3(3) . . . . ?
C00P O003 C009 C00C -178.36(16) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
