# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1934496'
loop_
_audit_author_name
_audit_author_address
'Edward Tiekink'
;Sunway University
Malaysia
;
_audit_update_record             
;
2019-06-18 deposited with the CCDC.	2020-06-29 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT097_shelx               
;
PROBLEM: Large Reported Max.  (Positive) Residual Density       1.73 eA-3  
RESPONSE: 
The maximum and minimum residual electron density peaks of 1.73 and 0.62
e\A%^-3^, respectively, were located 1.85 and 0.69 \%A from the C19 and
F1 atoms, respectively.
The analytical and spectroscopic results are consistent with the
fomulation and no evidence for solvent is apparent. It is concluded that
the residual electron density peak is an artefact of the the data.
;
_vrf_PLAT230_shelx               
;
PROBLEM: Hirshfeld Test Diff for    O4       --C19      .        7.3 s.u.  
RESPONSE: The analytical and spectroscopic results are consistent with the
fomulation. This alert arises owing to relatively high thermal motion in this
region of the structure.
;
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C19 H18 F3 N5 O4'
_chemical_formula_sum            'C19 H18 F3 N5 O4'
_chemical_formula_weight         437.38

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.2212(2)
_cell_length_b                   10.9597(3)
_cell_length_c                   13.4202(3)
_cell_angle_alpha                104.412(2)
_cell_angle_beta                 99.253(2)
_cell_angle_gamma                108.517(2)
_cell_volume                     941.57(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    13071
_cell_measurement_theta_max      76.2730
_cell_measurement_theta_min      3.4960

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.543
_exptl_crystal_F_000             452
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.125
_exptl_crystal_size_mid          0.091
_exptl_crystal_size_min          0.054
_exptl_absorpt_coefficient_mu    1.125
_shelx_estimated_absorpt_T_min   0.872
_shelx_estimated_absorpt_T_max   0.942
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_correction_T_min  0.232
_exptl_absorpt_correction_T_max  0.669
_exptl_absorpt_process_details   'CrysAlisPro (Rigaku OD, 2017)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 5.2558
_diffrn_reflns_number            22208
_diffrn_reflns_av_unetI/netI     0.0163
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.523
_diffrn_reflns_theta_max         67.073
_diffrn_reflns_theta_full        67.073
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             3357
_reflns_number_gt                3044
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'CrysAlisPro (Rigaku OD, 2017)'
_computing_cell_refinement       'CrysAlisPro (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro (Rigaku OD, 2017)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2015)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1035P)²+1.1788P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3357
_refine_ls_number_parameters     292
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0629
_refine_ls_R_factor_gt           0.0591
_refine_ls_wR_factor_ref         0.1764
_refine_ls_wR_factor_gt          0.1719
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
F1 F 0.3103(4) 0.1435(2) -0.17278(16) 0.0598(6) Uani 1 1 d . . . . .
F2 F 0.1779(4) -0.05955(19) -0.17066(15) 0.0638(6) Uani 1 1 d . . . . .
F3 F 0.4675(3) 0.0820(2) -0.06268(16) 0.0595(6) Uani 1 1 d . . . . .
O1 O 0.7523(2) 0.13811(15) 0.52670(12) 0.0195(4) Uani 1 1 d . . . . .
O2 O 0.9557(2) 0.23143(16) 0.73220(13) 0.0210(4) Uani 1 1 d . . . . .
O3 O 1.0869(2) 0.49518(16) 0.84574(13) 0.0219(4) Uani 1 1 d . . . . .
O4 O 0.1716(3) 0.10077(19) -0.04204(14) 0.0379(5) Uani 1 1 d . . . . .
N1 N 0.6838(3) 0.54545(18) 0.43247(15) 0.0166(4) Uani 1 1 d . . . . .
N2 N 0.7191(3) 0.77271(18) 0.44012(15) 0.0184(4) Uani 1 1 d . . . . .
N3 N 0.8713(3) 0.72872(18) 0.59236(15) 0.0175(4) Uani 1 1 d . . . . .
N4 N 0.8957(3) 0.94369(19) 0.59860(16) 0.0218(4) Uani 1 1 d D . . . .
H1N H 0.976(4) 0.970(3) 0.6628(12) 0.026 Uiso 1 1 d D U . . .
H2N H 0.873(4) 1.005(2) 0.572(2) 0.026 Uiso 1 1 d D U . . .
N5 N 0.5481(3) 0.59827(19) 0.28611(15) 0.0199(4) Uani 1 1 d D . . . .
H3N H 0.546(4) 0.667(2) 0.264(2) 0.024 Uiso 1 1 d D U . . .
C1 C 0.7955(3) 0.5981(2) 0.53370(17) 0.0156(5) Uani 1 1 d . . . . .
C2 C 0.6536(3) 0.6383(2) 0.39033(18) 0.0168(5) Uani 1 1 d . . . . .
C3 C 0.8263(3) 0.8117(2) 0.54106(18) 0.0177(5) Uani 1 1 d . . . . .
C4 C 0.8392(3) 0.5014(2) 0.58558(18) 0.0158(5) Uani 1 1 d . . . . .
C5 C 0.7707(3) 0.3641(2) 0.52748(17) 0.0161(5) Uani 1 1 d . . . . .
H5 H 0.697643 0.332025 0.454655 0.019 Uiso 1 1 calc R U . . .
C6 C 0.8102(3) 0.2747(2) 0.57676(18) 0.0165(5) Uani 1 1 d . . . . .
C7 C 0.9156(3) 0.3215(2) 0.68420(18) 0.0174(5) Uani 1 1 d . . . . .
C8 C 0.9857(3) 0.4599(2) 0.74164(18) 0.0179(5) Uani 1 1 d . . . . .
C9 C 0.9484(3) 0.5501(2) 0.69220(18) 0.0168(5) Uani 1 1 d . . . . .
H9 H 0.997027 0.644324 0.730740 0.020 Uiso 1 1 calc R U . . .
C10 C 0.6426(3) 0.0851(2) 0.41675(19) 0.0215(5) Uani 1 1 d . . . . .
H10A H 0.515128 0.100189 0.409311 0.032 Uiso 1 1 calc R U . . .
H10B H 0.613800 -0.012567 0.390091 0.032 Uiso 1 1 calc R U . . .
H10C H 0.723735 0.131253 0.375543 0.032 Uiso 1 1 calc R U . . .
C11 C 0.8178(4) 0.1916(2) 0.79419(19) 0.0245(5) Uani 1 1 d . . . . .
H11A H 0.826513 0.272171 0.849630 0.037 Uiso 1 1 calc R U . . .
H11B H 0.852814 0.129025 0.827547 0.037 Uiso 1 1 calc R U . . .
H11C H 0.679669 0.146188 0.747891 0.037 Uiso 1 1 calc R U . . .
C12 C 1.1669(4) 0.6367(2) 0.90513(19) 0.0243(5) Uani 1 1 d . . . . .
H12A H 1.259839 0.686901 0.870588 0.036 Uiso 1 1 calc R U . . .
H12B H 1.239902 0.650709 0.977762 0.036 Uiso 1 1 calc R U . . .
H12C H 1.055843 0.669568 0.907778 0.036 Uiso 1 1 calc R U . . .
C13 C 0.4559(3) 0.4705(2) 0.20805(18) 0.0189(5) Uani 1 1 d . . . . .
C14 C 0.3857(3) 0.4683(3) 0.1041(2) 0.0239(5) Uani 1 1 d . . . . .
H14 H 0.402939 0.551658 0.090515 0.029 Uiso 1 1 calc R U . . .
C15 C 0.2917(3) 0.3477(3) 0.02050(19) 0.0249(5) Uani 1 1 d . . . . .
H15 H 0.243682 0.347485 -0.049751 0.030 Uiso 1 1 calc R U . . .
C16 C 0.2693(4) 0.2277(3) 0.04178(19) 0.0261(5) Uani 1 1 d . . . . .
C17 C 0.3311(4) 0.2257(2) 0.1438(2) 0.0270(5) Uani 1 1 d . . . . .
H17 H 0.310097 0.141504 0.156661 0.032 Uiso 1 1 calc R U . . .
C18 C 0.4239(4) 0.3467(2) 0.22772(19) 0.0234(5) Uani 1 1 d . . . . .
H18 H 0.465631 0.345649 0.298230 0.028 Uiso 1 1 calc R U . . .
C19 C 0.2855(5) 0.0671(3) -0.1078(2) 0.0439(8) Uani 1 1 d . . . . .


_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
F1 C19 1.346(4) . ?
F2 C19 1.328(3) . ?
F3 C19 1.296(4) . ?
O1 C6 1.370(3) . ?
O1 C10 1.431(3) . ?
O2 C7 1.383(3) . ?
O2 C11 1.430(3) . ?
O3 C8 1.363(3) . ?
O3 C12 1.429(3) . ?
O4 C19 1.363(4) . ?
O4 C16 1.428(3) . ?
N1 C1 1.338(3) . ?
N1 C2 1.338(3) . ?
N2 C3 1.335(3) . ?
N2 C2 1.344(3) . ?
N3 C1 1.331(3) . ?
N3 C3 1.354(3) . ?
N4 C3 1.341(3) . ?
N4 H1N 0.879(10) . ?
N4 H2N 0.876(10) . ?
N5 C2 1.367(3) . ?
N5 C13 1.398(3) . ?
N5 H3N 0.884(10) . ?
C1 C4 1.489(3) . ?
C4 C5 1.391(3) . ?
C4 C9 1.394(3) . ?
C5 C6 1.386(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.397(3) . ?
C7 C8 1.399(3) . ?
C8 C9 1.388(3) . ?
C9 H9 0.9500 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C18 1.401(3) . ?
C13 C14 1.396(3) . ?
C14 C15 1.383(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.380(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.378(4) . ?
C17 C18 1.388(3) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?

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
C6 O1 C10 117.56(16) . . ?
C7 O2 C11 112.18(16) . . ?
C8 O3 C12 116.35(17) . . ?
C19 O4 C16 115.8(2) . . ?
C1 N1 C2 113.68(19) . . ?
C3 N2 C2 113.67(18) . . ?
C1 N3 C3 114.26(19) . . ?
C3 N4 H1N 118.1(19) . . ?
C3 N4 H2N 122.3(19) . . ?
H1N N4 H2N 119(3) . . ?
C2 N5 C13 131.85(18) . . ?
C2 N5 H3N 113.0(19) . . ?
C13 N5 H3N 115.0(18) . . ?
N3 C1 N1 126.18(19) . . ?
N3 C1 C4 116.93(19) . . ?
N1 C1 C4 116.89(19) . . ?
N2 C2 N1 126.6(2) . . ?
N2 C2 N5 113.89(19) . . ?
N1 C2 N5 119.5(2) . . ?
N2 C3 N4 118.48(19) . . ?
N2 C3 N3 125.6(2) . . ?
N4 C3 N3 115.9(2) . . ?
C5 C4 C9 120.9(2) . . ?
C5 C4 C1 119.8(2) . . ?
C9 C4 C1 119.3(2) . . ?
C6 C5 C4 119.4(2) . . ?
C6 C5 H5 120.3 . . ?
C4 C5 H5 120.3 . . ?
O1 C6 C5 124.2(2) . . ?
O1 C6 C7 115.47(18) . . ?
C5 C6 C7 120.3(2) . . ?
O2 C7 C8 120.4(2) . . ?
O2 C7 C6 119.79(19) . . ?
C8 C7 C6 119.82(19) . . ?
O3 C8 C9 124.8(2) . . ?
O3 C8 C7 115.24(19) . . ?
C9 C8 C7 120.0(2) . . ?
C8 C9 C4 119.5(2) . . ?
C8 C9 H9 120.2 . . ?
C4 C9 H9 120.2 . . ?
O1 C10 H10A 109.5 . . ?
O1 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
O1 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O2 C11 H11A 109.5 . . ?
O2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
O2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O3 C12 H12A 109.5 . . ?
O3 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
O3 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N5 C13 C18 124.7(2) . . ?
N5 C13 C14 116.7(2) . . ?
C18 C13 C14 118.6(2) . . ?
C15 C14 C13 121.7(2) . . ?
C15 C14 H14 119.2 . . ?
C13 C14 H14 119.2 . . ?
C14 C15 C16 118.3(2) . . ?
C14 C15 H15 120.9 . . ?
C16 C15 H15 120.9 . . ?
C17 C16 C15 121.6(2) . . ?
C17 C16 O4 118.2(2) . . ?
C15 C16 O4 120.1(2) . . ?
C16 C17 C18 119.9(2) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 C13 119.7(2) . . ?
C17 C18 H18 120.1 . . ?
C13 C18 H18 120.1 . . ?
F3 C19 F2 111.9(3) . . ?
F3 C19 F1 104.6(3) . . ?
F2 C19 F1 105.9(2) . . ?
F3 C19 O4 116.8(2) . . ?
F2 C19 O4 106.3(3) . . ?
F1 C19 O4 110.9(2) . . ?

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
C3 N3 C1 N1 0.1(3) . . . . ?
C3 N3 C1 C4 -179.86(17) . . . . ?
C2 N1 C1 N3 1.2(3) . . . . ?
C2 N1 C1 C4 -178.87(17) . . . . ?
C3 N2 C2 N1 0.9(3) . . . . ?
C3 N2 C2 N5 -178.43(17) . . . . ?
C1 N1 C2 N2 -1.7(3) . . . . ?
C1 N1 C2 N5 177.59(18) . . . . ?
C13 N5 C2 N2 -179.9(2) . . . . ?
C13 N5 C2 N1 0.7(3) . . . . ?
C2 N2 C3 N4 -178.81(18) . . . . ?
C2 N2 C3 N3 0.6(3) . . . . ?
C1 N3 C3 N2 -1.1(3) . . . . ?
C1 N3 C3 N4 178.35(18) . . . . ?
N3 C1 C4 C5 -177.65(18) . . . . ?
N1 C1 C4 C5 2.4(3) . . . . ?
N3 C1 C4 C9 2.4(3) . . . . ?
N1 C1 C4 C9 -177.60(18) . . . . ?
C9 C4 C5 C6 0.7(3) . . . . ?
C1 C4 C5 C6 -179.30(18) . . . . ?
C10 O1 C6 C5 -0.6(3) . . . . ?
C10 O1 C6 C7 179.57(18) . . . . ?
C4 C5 C6 O1 -179.06(18) . . . . ?
C4 C5 C6 C7 0.7(3) . . . . ?
C11 O2 C7 C8 81.7(2) . . . . ?
C11 O2 C7 C6 -100.4(2) . . . . ?
O1 C6 C7 O2 0.4(3) . . . . ?
C5 C6 C7 O2 -179.40(18) . . . . ?
O1 C6 C7 C8 178.38(18) . . . . ?
C5 C6 C7 C8 -1.4(3) . . . . ?
C12 O3 C8 C9 -3.0(3) . . . . ?
C12 O3 C8 C7 177.66(18) . . . . ?
O2 C7 C8 O3 -2.0(3) . . . . ?
C6 C7 C8 O3 -179.93(18) . . . . ?
O2 C7 C8 C9 178.67(18) . . . . ?
C6 C7 C8 C9 0.7(3) . . . . ?
O3 C8 C9 C4 -178.61(19) . . . . ?
C7 C8 C9 C4 0.7(3) . . . . ?
C5 C4 C9 C8 -1.4(3) . . . . ?
C1 C4 C9 C8 178.59(18) . . . . ?
C2 N5 C13 C18 11.5(4) . . . . ?
C2 N5 C13 C14 -170.7(2) . . . . ?
N5 C13 C14 C15 -179.9(2) . . . . ?
C18 C13 C14 C15 -2.0(3) . . . . ?
C13 C14 C15 C16 -0.5(3) . . . . ?
C14 C15 C16 C17 2.5(4) . . . . ?
C14 C15 C16 O4 179.5(2) . . . . ?
C19 O4 C16 C17 -105.1(3) . . . . ?
C19 O4 C16 C15 77.9(3) . . . . ?
C15 C16 C17 C18 -2.0(4) . . . . ?
O4 C16 C17 C18 -179.0(2) . . . . ?
C16 C17 C18 C13 -0.5(4) . . . . ?
N5 C13 C18 C17 -179.8(2) . . . . ?
C14 C13 C18 C17 2.5(3) . . . . ?
C16 O4 C19 F3 46.7(4) . . . . ?
C16 O4 C19 F2 172.4(2) . . . . ?
C16 O4 C19 F1 -72.9(3) . . . . ?

_refine_diff_density_max         1.731
_refine_diff_density_min         -0.623
_refine_diff_density_rms         0.080

