# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2014

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#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
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data_z

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C28 H27 Br2 F3 N2 O9'
_chemical_formula_weight         752.34

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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.7433(5)
_cell_length_b                   12.0617(5)
_cell_length_c                   13.2191(6)
_cell_angle_alpha                105.9950(10)
_cell_angle_beta                 90.8350(10)
_cell_angle_gamma                117.2590(10)
_cell_volume                     1578.17(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.39
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             756
_exptl_absorpt_coefficient_mu    2.639
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4036
_exptl_absorpt_correction_T_max  0.6625
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            18498
_diffrn_reflns_av_R_equivalents  0.0211
_diffrn_reflns_av_sigmaI/netI    0.0230
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.98
_diffrn_reflns_theta_max         25.01
_reflns_number_total             5537
_reflns_number_gt                4479
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0423P)²+2.0153P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5537
_refine_ls_number_parameters     397
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0565
_refine_ls_R_factor_gt           0.0444
_refine_ls_wR_factor_ref         0.1134
_refine_ls_wR_factor_gt          0.1056
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_restrained_S_all      1.075
_refine_ls_shift/su_max          0.001
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Br1 Br 0.54600(4) 0.76254(4) 0.62629(5) 0.08299(19) Uani 1 1 d . . .
Br2 Br -0.31427(6) 0.05523(7) 1.10796(4) 0.1095(3) Uani 1 1 d . . .
F1 F -0.2942(2) 0.0623(3) 0.34710(16) 0.0701(7) Uani 1 1 d . . .
F2 F -0.41245(19) -0.0492(2) 0.44263(18) 0.0662(6) Uani 1 1 d . . .
F3 F -0.3371(2) 0.1599(2) 0.49121(19) 0.0633(6) Uani 1 1 d . . .
N2 N 0.1460(3) 0.3224(3) 0.8775(2) 0.0425(6) Uani 1 1 d . . .
H2A H 0.2098 0.3251 0.9156 0.051 Uiso 1 1 calc R . .
N1 N 0.0077(3) 0.4085(3) 0.8641(2) 0.0428(7) Uani 1 1 d . . .
H1A H -0.0223 0.4619 0.8953 0.051 Uiso 1 1 calc R . .
O1 O -0.0093(2) 0.3051(2) 0.37073(18) 0.0488(6) Uani 1 1 d . . .
O2 O 0.0031(2) 0.1224(2) 0.35569(18) 0.0474(6) Uani 1 1 d . . .
O3 O -0.1038(2) 0.3709(2) 0.70896(17) 0.0427(5) Uani 1 1 d . . .
O4 O 0.1598(2) 0.1759(2) 0.73858(17) 0.0411(5) Uani 1 1 d . . .
O5 O 0.1175(3) 0.4505(3) 1.02384(19) 0.0724(9) Uani 1 1 d . . .
O6 O -0.1709(2) -0.02719(19) 0.46547(16) 0.0410(5) Uani 1 1 d . . .
H6A H -0.1167 -0.0118 0.4235 0.061 Uiso 1 1 calc R . .
O7 O -0.21762(19) 0.08493(19) 0.61058(15) 0.0329(4) Uani 1 1 d . . .
C1 C -0.1724(3) 0.0836(3) 0.7849(2) 0.0353(7) Uani 1 1 d . . .
C2 C -0.1296(4) 0.0291(4) 0.8459(3) 0.0518(9) Uani 1 1 d . . .
H2B H -0.0705 -0.0020 0.8220 0.062 Uiso 1 1 calc R . .
C3 C -0.1729(4) 0.0198(5) 0.9418(3) 0.0661(11) Uani 1 1 d . . .
H3A H -0.1440 -0.0178 0.9837 0.079 Uiso 1 1 calc R . .
C4 C -0.2575(4) 0.0654(4) 0.9752(3) 0.0637(11) Uani 1 1 d . . .
C5 C -0.3033(4) 0.1165(4) 0.9155(3) 0.0626(11) Uani 1 1 d . . .
H5A H -0.3638 0.1456 0.9393 0.075 Uiso 1 1 calc R . .
C6 C -0.2605(3) 0.1254(4) 0.8197(3) 0.0498(9) Uani 1 1 d . . .
H6B H -0.2922 0.1607 0.7774 0.060 Uiso 1 1 calc R . .
C7 C 0.1664(3) 0.3756(3) 0.6020(2) 0.0330(6) Uani 1 1 d . . .
C8 C 0.1645(3) 0.4935(3) 0.6162(3) 0.0440(8) Uani 1 1 d . . .
H8A H 0.0845 0.4951 0.6204 0.053 Uiso 1 1 calc R . .
C9 C 0.2769(4) 0.6081(3) 0.6245(3) 0.0519(9) Uani 1 1 d . . .
H9A H 0.2747 0.6883 0.6353 0.062 Uiso 1 1 calc R . .
C10 C 0.3923(3) 0.6051(3) 0.6168(3) 0.0497(9) Uani 1 1 d . . .
C11 C 0.3977(3) 0.4908(4) 0.6024(3) 0.0513(9) Uani 1 1 d . . .
H11A H 0.4779 0.4898 0.5975 0.062 Uiso 1 1 calc R . .
C12 C 0.2842(3) 0.3762(3) 0.5950(3) 0.0420(7) Uani 1 1 d . . .
H12A H 0.2875 0.2967 0.5850 0.050 Uiso 1 1 calc R . .
C13 C -0.1867(3) 0.0825(3) 0.5080(2) 0.0319(6) Uani 1 1 d . . .
C14 C -0.0688(3) 0.2140(3) 0.5104(2) 0.0299(6) Uani 1 1 d . . .
H14A H -0.0931 0.2856 0.5307 0.036 Uiso 1 1 calc R . .
C15 C 0.0456(3) 0.2473(3) 0.5937(2) 0.0294(6) Uani 1 1 d . . .
H15A H 0.0699 0.1762 0.5677 0.035 Uiso 1 1 calc R . .
C16 C 0.0035(3) 0.2415(3) 0.7043(2) 0.0294(6) Uani 1 1 d . . .
C17 C -0.1180(3) 0.1017(3) 0.6847(2) 0.0307(6) Uani 1 1 d . . .
H17A H -0.0921 0.0326 0.6542 0.037 Uiso 1 1 calc R . .
C18 C 0.1105(3) 0.2441(3) 0.7730(2) 0.0321(6) Uani 1 1 d . . .
C19 C 0.0911(3) 0.3970(3) 0.9281(3) 0.0471(8) Uani 1 1 d . . .
C20 C -0.0347(3) 0.3462(3) 0.7563(2) 0.0326(6) Uani 1 1 d . . .
C21 C -0.3100(3) 0.0632(4) 0.4476(3) 0.0468(8) Uani 1 1 d . . .
C22 C -0.0218(3) 0.2068(3) 0.4033(2) 0.0339(7) Uani 1 1 d . . .
C23 C 0.0439(5) 0.3116(5) 0.2713(3) 0.0726(13) Uani 1 1 d . . .
H23A H 0.0078 0.2217 0.2201 0.087 Uiso 1 1 calc R . .
H23B H 0.0180 0.3632 0.2390 0.087 Uiso 1 1 calc R . .
C24 C 0.1839(6) 0.3720(7) 0.2917(5) 0.113(2) Uani 1 1 d . . .
H24A H 0.2175 0.3754 0.2245 0.169 Uiso 1 1 calc R . .
H24B H 0.2095 0.3201 0.3227 0.169 Uiso 1 1 calc R . .
H24C H 0.2197 0.4614 0.3416 0.169 Uiso 1 1 calc R . .
O01 O 0.6525(5) 0.6836(5) 0.0051(3) 0.1268(17) Uani 1 1 d . . .
O02 O 0.4787(4) 0.6875(4) 0.0638(4) 0.1074(13) Uani 1 1 d . . .
C01 C 0.4989(7) 0.6859(7) -0.1106(5) 0.117(2) Uani 1 1 d . . .
H01A H 0.5560 0.6818 -0.1632 0.176 Uiso 1 1 calc R . .
H01B H 0.4935 0.7671 -0.0982 0.176 Uiso 1 1 calc R . .
H01C H 0.4120 0.6099 -0.1376 0.176 Uiso 1 1 calc R . .
C02 C 0.5521(6) 0.6839(5) -0.0089(5) 0.0916(17) Uani 1 1 d . . .
C03 C 0.5273(7) 0.6882(10) 0.1661(6) 0.151(3) Uani 1 1 d D . .
H03A H 0.5521 0.6180 0.1545 0.181 Uiso 1 1 calc R . .
H03B H 0.6057 0.7737 0.2013 0.181 Uiso 1 1 calc R . .
C04 C 0.4304(7) 0.6675(9) 0.2330(7) 0.145(3) Uani 1 1 d D . .
H04A H 0.4648 0.6699 0.3019 0.218 Uiso 1 1 calc R . .
H04B H 0.3540 0.5816 0.1990 0.218 Uiso 1 1 calc R . .
H04C H 0.4057 0.7368 0.2440 0.218 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
Br1 C10 1.898(3) . ?
Br2 C4 1.902(3) . ?
F1 C21 1.342(4) . ?
F2 C21 1.321(4) . ?
F3 C21 1.329(4) . ?
N2 C18 1.370(4) . ?
N2 C19 1.373(4) . ?
N2 H2A 0.8800 . ?
N1 C19 1.364(4) . ?
N1 C20 1.374(4) . ?
N1 H1A 0.8800 . ?
O1 C22 1.317(4) . ?
O1 C23 1.470(4) . ?
O2 C22 1.201(4) . ?
O3 C20 1.204(4) . ?
O4 C18 1.208(3) . ?
O5 C19 1.212(4) . ?
O6 C13 1.386(3) . ?
O6 H6A 0.8400 . ?
O7 C13 1.405(3) . ?
O7 C17 1.418(3) . ?
C1 C6 1.378(5) . ?
C1 C2 1.385(5) . ?
C1 C17 1.506(4) . ?
C2 C3 1.386(5) . ?
C2 H2B 0.9500 . ?
C3 C4 1.365(6) . ?
C3 H3A 0.9500 . ?
C4 C5 1.361(6) . ?
C5 C6 1.382(5) . ?
C5 H5A 0.9500 . ?
C6 H6B 0.9500 . ?
C7 C12 1.386(4) . ?
C7 C8 1.393(4) . ?
C7 C15 1.520(4) . ?
C8 C9 1.381(5) . ?
C8 H8A 0.9500 . ?
C9 C10 1.377(5) . ?
C9 H9A 0.9500 . ?
C10 C11 1.371(5) . ?
C11 C12 1.389(5) . ?
C11 H11A 0.9500 . ?
C12 H12A 0.9500 . ?
C13 C21 1.530(4) . ?
C13 C14 1.547(4) . ?
C14 C22 1.523(4) . ?
C14 C15 1.548(4) . ?
C14 H14A 1.0000 . ?
C15 C16 1.560(4) . ?
C15 H15A 1.0000 . ?
C16 C18 1.522(4) . ?
C16 C20 1.523(4) . ?
C16 C17 1.578(4) . ?
C17 H17A 1.0000 . ?
C23 C24 1.445(7) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
O01 C02 1.193(6) . ?
O02 C02 1.306(7) . ?
O02 C03 1.456(7) . ?
C01 C02 1.485(7) . ?
C01 H01A 0.9800 . ?
C01 H01B 0.9800 . ?
C01 H01C 0.9800 . ?
C03 C04 1.425(7) . ?
C03 H03A 0.9900 . ?
C03 H03B 0.9900 . ?
C04 H04A 0.9800 . ?
C04 H04B 0.9800 . ?
C04 H04C 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
C18 N2 C19 125.9(3) . . ?
C18 N2 H2A 117.0 . . ?
C19 N2 H2A 117.0 . . ?
C19 N1 C20 127.3(3) . . ?
C19 N1 H1A 116.3 . . ?
C20 N1 H1A 116.3 . . ?
C22 O1 C23 116.0(3) . . ?
C13 O6 H6A 109.5 . . ?
C13 O7 C17 114.5(2) . . ?
C6 C1 C2 119.1(3) . . ?
C6 C1 C17 121.1(3) . . ?
C2 C1 C17 119.7(3) . . ?
C1 C2 C3 120.2(4) . . ?
C1 C2 H2B 119.9 . . ?
C3 C2 H2B 119.9 . . ?
C4 C3 C2 119.2(4) . . ?
C4 C3 H3A 120.4 . . ?
C2 C3 H3A 120.4 . . ?
C5 C4 C3 121.7(3) . . ?
C5 C4 Br2 119.2(3) . . ?
C3 C4 Br2 119.1(3) . . ?
C4 C5 C6 119.1(4) . . ?
C4 C5 H5A 120.5 . . ?
C6 C5 H5A 120.5 . . ?
C1 C6 C5 120.7(3) . . ?
C1 C6 H6B 119.6 . . ?
C5 C6 H6B 119.6 . . ?
C12 C7 C8 118.1(3) . . ?
C12 C7 C15 118.9(3) . . ?
C8 C7 C15 123.1(3) . . ?
C9 C8 C7 121.1(3) . . ?
C9 C8 H8A 119.5 . . ?
C7 C8 H8A 119.5 . . ?
C10 C9 C8 119.3(3) . . ?
C10 C9 H9A 120.3 . . ?
C8 C9 H9A 120.3 . . ?
C11 C10 C9 121.1(3) . . ?
C11 C10 Br1 119.8(3) . . ?
C9 C10 Br1 119.1(3) . . ?
C10 C11 C12 119.1(3) . . ?
C10 C11 H11A 120.5 . . ?
C12 C11 H11A 120.5 . . ?
C7 C12 C11 121.3(3) . . ?
C7 C12 H12A 119.4 . . ?
C11 C12 H12A 119.4 . . ?
O6 C13 O7 107.9(2) . . ?
O6 C13 C21 109.5(2) . . ?
O7 C13 C21 102.5(2) . . ?
O6 C13 C14 114.4(2) . . ?
O7 C13 C14 111.2(2) . . ?
C21 C13 C14 110.6(2) . . ?
C22 C14 C13 112.1(2) . . ?
C22 C14 C15 107.2(2) . . ?
C13 C14 C15 109.4(2) . . ?
C22 C14 H14A 109.4 . . ?
C13 C14 H14A 109.4 . . ?
C15 C14 H14A 109.4 . . ?
C7 C15 C14 113.3(2) . . ?
C7 C15 C16 112.4(2) . . ?
C14 C15 C16 111.6(2) . . ?
C7 C15 H15A 106.3 . . ?
C14 C15 H15A 106.3 . . ?
C16 C15 H15A 106.3 . . ?
C18 C16 C20 114.1(2) . . ?
C18 C16 C15 108.1(2) . . ?
C20 C16 C15 113.0(2) . . ?
C18 C16 C17 105.5(2) . . ?
C20 C16 C17 108.6(2) . . ?
C15 C16 C17 107.0(2) . . ?
O7 C17 C1 107.8(2) . . ?
O7 C17 C16 109.2(2) . . ?
C1 C17 C16 112.9(2) . . ?
O7 C17 H17A 109.0 . . ?
C1 C17 H17A 109.0 . . ?
C16 C17 H17A 109.0 . . ?
O4 C18 N2 120.3(3) . . ?
O4 C18 C16 121.6(3) . . ?
N2 C18 C16 118.1(2) . . ?
O5 C19 N1 122.6(3) . . ?
O5 C19 N2 121.4(3) . . ?
N1 C19 N2 116.0(3) . . ?
O3 C20 N1 120.0(3) . . ?
O3 C20 C16 123.3(3) . . ?
N1 C20 C16 116.7(2) . . ?
F2 C21 F3 108.1(3) . . ?
F2 C21 F1 107.5(3) . . ?
F3 C21 F1 106.8(3) . . ?
F2 C21 C13 112.2(3) . . ?
F3 C21 C13 112.2(3) . . ?
F1 C21 C13 109.8(3) . . ?
O2 C22 O1 124.5(3) . . ?
O2 C22 C14 123.4(3) . . ?
O1 C22 C14 112.1(2) . . ?
C24 C23 O1 110.7(4) . . ?
C24 C23 H23A 109.5 . . ?
O1 C23 H23A 109.5 . . ?
C24 C23 H23B 109.5 . . ?
O1 C23 H23B 109.5 . . ?
H23A C23 H23B 108.1 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C02 O02 C03 114.6(5) . . ?
C02 C01 H01A 109.5 . . ?
C02 C01 H01B 109.5 . . ?
H01A C01 H01B 109.5 . . ?
C02 C01 H01C 109.5 . . ?
H01A C01 H01C 109.5 . . ?
H01B C01 H01C 109.5 . . ?
O01 C02 O02 124.3(5) . . ?
O01 C02 C01 123.5(7) . . ?
O02 C02 C01 112.1(5) . . ?
C04 C03 O02 110.3(6) . . ?
C04 C03 H03A 109.6 . . ?
O02 C03 H03A 109.6 . . ?
C04 C03 H03B 109.6 . . ?
O02 C03 H03B 109.6 . . ?
H03A C03 H03B 108.1 . . ?
C03 C04 H04A 109.5 . . ?
C03 C04 H04B 109.5 . . ?
H04A C04 H04B 109.5 . . ?
C03 C04 H04C 109.5 . . ?
H04A C04 H04C 109.5 . . ?
H04B C04 H04C 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
C6 C1 C2 C3 -1.5(5) . . . . ?
C17 C1 C2 C3 175.9(3) . . . . ?
C1 C2 C3 C4 -0.2(6) . . . . ?
C2 C3 C4 C5 1.8(7) . . . . ?
C2 C3 C4 Br2 -178.9(3) . . . . ?
C3 C4 C5 C6 -1.6(7) . . . . ?
Br2 C4 C5 C6 179.1(3) . . . . ?
C2 C1 C6 C5 1.7(5) . . . . ?
C17 C1 C6 C5 -175.6(3) . . . . ?
C4 C5 C6 C1 -0.2(6) . . . . ?
C12 C7 C8 C9 -0.8(5) . . . . ?
C15 C7 C8 C9 179.3(3) . . . . ?
C7 C8 C9 C10 1.0(5) . . . . ?
C8 C9 C10 C11 -0.7(6) . . . . ?
C8 C9 C10 Br1 179.2(3) . . . . ?
C9 C10 C11 C12 0.3(6) . . . . ?
Br1 C10 C11 C12 -179.6(3) . . . . ?
C8 C7 C12 C11 0.3(5) . . . . ?
C15 C7 C12 C11 -179.8(3) . . . . ?
C10 C11 C12 C7 0.0(5) . . . . ?
C17 O7 C13 O6 64.3(3) . . . . ?
C17 O7 C13 C21 179.8(2) . . . . ?
C17 O7 C13 C14 -61.9(3) . . . . ?
O6 C13 C14 C22 49.3(3) . . . . ?
O7 C13 C14 C22 171.9(2) . . . . ?
C21 C13 C14 C22 -74.9(3) . . . . ?
O6 C13 C14 C15 -69.5(3) . . . . ?
O7 C13 C14 C15 53.1(3) . . . . ?
C21 C13 C14 C15 166.4(2) . . . . ?
C12 C7 C15 C14 -128.8(3) . . . . ?
C8 C7 C15 C14 51.1(4) . . . . ?
C12 C7 C15 C16 103.6(3) . . . . ?
C8 C7 C15 C16 -76.5(4) . . . . ?
C22 C14 C15 C7 58.4(3) . . . . ?
C13 C14 C15 C7 -179.9(2) . . . . ?
C22 C14 C15 C16 -173.5(2) . . . . ?
C13 C14 C15 C16 -51.8(3) . . . . ?
C7 C15 C16 C18 -64.2(3) . . . . ?
C14 C15 C16 C18 167.3(2) . . . . ?
C7 C15 C16 C20 63.1(3) . . . . ?
C14 C15 C16 C20 -65.5(3) . . . . ?
C7 C15 C16 C17 -177.4(2) . . . . ?
C14 C15 C16 C17 54.0(3) . . . . ?
C13 O7 C17 C1 -172.4(2) . . . . ?
C13 O7 C17 C16 64.6(3) . . . . ?
C6 C1 C17 O7 -35.5(4) . . . . ?
C2 C1 C17 O7 147.2(3) . . . . ?
C6 C1 C17 C16 85.1(4) . . . . ?
C2 C1 C17 C16 -92.1(3) . . . . ?
C18 C16 C17 O7 -173.1(2) . . . . ?
C20 C16 C17 O7 64.2(3) . . . . ?
C15 C16 C17 O7 -58.1(3) . . . . ?
C18 C16 C17 C1 67.0(3) . . . . ?
C20 C16 C17 C1 -55.7(3) . . . . ?
C15 C16 C17 C1 -178.0(2) . . . . ?
C19 N2 C18 O4 -175.1(3) . . . . ?
C19 N2 C18 C16 2.1(5) . . . . ?
C20 C16 C18 O4 -172.6(3) . . . . ?
C15 C16 C18 O4 -45.9(4) . . . . ?
C17 C16 C18 O4 68.3(3) . . . . ?
C20 C16 C18 N2 10.3(4) . . . . ?
C15 C16 C18 N2 136.9(3) . . . . ?
C17 C16 C18 N2 -108.9(3) . . . . ?
C20 N1 C19 O5 -175.8(4) . . . . ?
C20 N1 C19 N2 5.3(5) . . . . ?
C18 N2 C19 O5 170.7(4) . . . . ?
C18 N2 C19 N1 -10.3(5) . . . . ?
C19 N1 C20 O3 -176.4(3) . . . . ?
C19 N1 C20 C16 7.2(5) . . . . ?
C18 C16 C20 O3 169.3(3) . . . . ?
C15 C16 C20 O3 45.3(4) . . . . ?
C17 C16 C20 O3 -73.3(3) . . . . ?
C18 C16 C20 N1 -14.3(4) . . . . ?
C15 C16 C20 N1 -138.4(3) . . . . ?
C17 C16 C20 N1 103.0(3) . . . . ?
O6 C13 C21 F2 52.2(3) . . . . ?
O7 C13 C21 F2 -62.2(3) . . . . ?
C14 C13 C21 F2 179.1(3) . . . . ?
O6 C13 C21 F3 174.1(2) . . . . ?
O7 C13 C21 F3 59.7(3) . . . . ?
C14 C13 C21 F3 -59.0(3) . . . . ?
O6 C13 C21 F1 -67.3(3) . . . . ?
O7 C13 C21 F1 178.3(3) . . . . ?
C14 C13 C21 F1 59.7(3) . . . . ?
C23 O1 C22 O2 -2.6(5) . . . . ?
C23 O1 C22 C14 176.1(3) . . . . ?
C13 C14 C22 O2 -52.0(4) . . . . ?
C15 C14 C22 O2 68.1(4) . . . . ?
C13 C14 C22 O1 129.3(3) . . . . ?
C15 C14 C22 O1 -110.6(3) . . . . ?
C22 O1 C23 C24 -81.3(5) . . . . ?
C03 O02 C02 O01 -1.3(9) . . . . ?
C03 O02 C02 C01 -178.9(6) . . . . ?
C02 O02 C03 C04 -169.2(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         0.749
_refine_diff_density_min         -0.844
_refine_diff_density_rms         0.058
_database_code_depnum_ccdc_archive 'CCDC 981363'
