#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:02:01 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180056 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/02/7050216.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7050216
loop_
_publ_author_name
'Katharina Reichenbächer'
'Heike I. Süss'
'Helen Stoeckli-Evans'
'Silvia Bracco'
'Piero Sozzani'
'Edwin Weber'
'Jürg Hulliger'
_publ_section_title
;
 Modification of channel structures by fluorination
;
_journal_issue                   3
_journal_name_full               'New J. Chem.'
_journal_page_first              393
_journal_page_last               397
_journal_paper_doi               10.1039/b311028a
_journal_volume                  28
_journal_year                    2004
_chemical_formula_sum            'C25 H5 F15 N3 O3'
_chemical_formula_weight         680.32
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.055(10)
_cell_angle_beta                 91.871(10)
_cell_angle_gamma                95.776(10)
_cell_formula_units_Z            2
_cell_length_a                   5.9555(5)
_cell_length_b                   13.5912(12)
_cell_length_c                   16.1207(14)
_cell_measurement_reflns_used    6606
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      25.90
_cell_measurement_theta_min      2.46
_cell_volume                     1208.2(2)
_computing_cell_refinement       'CELL (Stoe IPDS Software, 2000)'
_computing_data_collection       'EXPOSE (Stoe IPDS Software, 2000)'
_computing_data_reduction        'INTEGRATE (Stoe IPDS Software, 2000)'
_computing_molecular_graphics    'PLATON99 (Spek, 1990)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 0.81\%A
_diffrn_measured_fraction_theta_full 0.933
_diffrn_measured_fraction_theta_max 0.933
_diffrn_measurement_device_type  'STOE IPDS'
_diffrn_measurement_method       'phi oscillation'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0558
_diffrn_reflns_av_sigmaI/netI    0.0752
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            9569
_diffrn_reflns_theta_full        25.90
_diffrn_reflns_theta_max         25.90
_diffrn_reflns_theta_min         2.46
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.202
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.870
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             670
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.413
_refine_diff_density_min         -0.268
_refine_diff_density_rms         0.053
_refine_ls_extinction_coef       0.0110(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.845
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         4379
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.845
_refine_ls_R_factor_all          0.0665
_refine_ls_R_factor_gt           0.0382
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0537P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0904
_refine_ls_wR_factor_ref         0.0980
_reflns_number_gt                2736
_reflns_number_total             4379
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            b311028a.txt
_cod_data_source_block           tris5f3n
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1208.22(18)
_cod_database_code               7050216
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
F1 F -0.2853(3) 0.21039(12) 0.11973(10) 0.0458(4) Uani 1 1 d . . .
F2 F -0.4249(3) 0.24545(13) -0.02843(10) 0.0480(4) Uani 1 1 d . . .
F3 F -0.1432(3) 0.36170(14) -0.09623(9) 0.0532(5) Uani 1 1 d . . .
F4 F 0.2836(3) 0.43561(13) -0.02168(11) 0.0558(5) Uani 1 1 d . . .
F5 F 0.4285(3) 0.39392(13) 0.12389(11) 0.0509(5) Uani 1 1 d . . .
F6 F -0.3563(3) 0.51464(11) 0.32653(9) 0.0394(4) Uani 1 1 d . . .
F7 F -0.5362(3) 0.60550(13) 0.21827(10) 0.0465(4) Uani 1 1 d . . .
F8 F -0.2870(3) 0.76407(12) 0.18574(9) 0.0514(5) Uani 1 1 d . . .
F9 F 0.1397(3) 0.83456(12) 0.26223(10) 0.0462(4) Uani 1 1 d . . .
F10 F 0.3176(2) 0.74662(11) 0.37322(9) 0.0345(3) Uani 1 1 d . . .
F11 F 0.1185(2) 0.17181(10) 0.49992(9) 0.0339(3) Uani 1 1 d . . .
F12 F 0.2353(3) -0.02722(11) 0.44351(9) 0.0411(4) Uani 1 1 d . . .
F13 F 0.6206(3) -0.07006(11) 0.35625(10) 0.0483(4) Uani 1 1 d . . .
F14 F 0.8780(3) 0.08643(13) 0.32375(10) 0.0488(4) Uani 1 1 d . . .
F15 F 0.7610(3) 0.28692(12) 0.38201(10) 0.0414(4) Uani 1 1 d . . .
O1 O 0.1515(3) 0.27113(13) 0.19044(10) 0.0389(5) Uani 1 1 d . . .
O2 O 0.0769(3) 0.59163(11) 0.41202(10) 0.0275(4) Uani 1 1 d . . .
O3 O 0.3794(3) 0.33530(11) 0.47641(10) 0.0263(4) Uani 1 1 d . . .
N1 N 0.2689(3) 0.30091(14) 0.33042(12) 0.0258(4) Uani 1 1 d . . .
N2 N 0.1052(3) 0.43478(14) 0.29530(11) 0.0239(4) Uani 1 1 d . . .
N3 N 0.2281(3) 0.46515(14) 0.44589(12) 0.0238(4) Uani 1 1 d . . .
C1 C 0.1748(4) 0.34005(18) 0.27540(14) 0.0259(5) Uani 1 1 d . . .
C2 C 0.1384(4) 0.49186(17) 0.38188(14) 0.0225(5) Uani 1 1 d . . .
C3 C 0.2877(4) 0.36847(17) 0.41379(14) 0.0220(5) Uani 1 1 d . . .
C4 C 0.0719(4) 0.30304(18) 0.12336(14) 0.0297(6) Uani 1 1 d . . .
C5 C -0.1450(4) 0.26605(19) 0.08526(15) 0.0295(6) Uani 1 1 d . . .
C6 C -0.2154(4) 0.2847(2) 0.01064(15) 0.0328(6) Uani 1 1 d . . .
C7 C -0.0721(5) 0.3428(2) -0.02392(15) 0.0340(6) Uani 1 1 d . . .
C8 C 0.1441(5) 0.3805(2) 0.01420(16) 0.0350(6) Uani 1 1 d . . .
C9 C 0.2162(4) 0.3599(2) 0.08772(16) 0.0331(6) Uani 1 1 d . . .
C10 C -0.0158(4) 0.62866(17) 0.35010(14) 0.0239(5) Uani 1 1 d . . .
C11 C -0.2340(4) 0.59317(18) 0.31091(15) 0.0276(5) Uani 1 1 d . . .
C12 C -0.3241(4) 0.63917(19) 0.25583(15) 0.0326(6) Uani 1 1 d . . .
C13 C -0.1994(5) 0.7204(2) 0.24031(15) 0.0344(6) Uani 1 1 d . . .
C14 C 0.0171(4) 0.75630(18) 0.27896(15) 0.0298(6) Uani 1 1 d . . .
C15 C 0.1072(4) 0.71021(18) 0.33384(14) 0.0256(5) Uani 1 1 d . . .
C16 C 0.4410(4) 0.23292(17) 0.44383(14) 0.0239(5) Uani 1 1 d . . .
C17 C 0.3086(4) 0.15189(18) 0.45746(14) 0.0248(5) Uani 1 1 d . . .
C18 C 0.3658(4) 0.05000(18) 0.42786(15) 0.0283(6) Uani 1 1 d . . .
C19 C 0.5583(4) 0.02841(19) 0.38358(15) 0.0330(6) Uani 1 1 d . . .
C20 C 0.6912(4) 0.1081(2) 0.36800(15) 0.0323(6) Uani 1 1 d . . .
C21 C 0.6341(4) 0.21023(18) 0.39850(15) 0.0272(5) Uani 1 1 d . . .
C30 C 0.2930(6) 0.0197(2) 0.15705(19) 0.0518(8) Uani 1 1 d . . .
H34A H 0.2479 0.0756 0.2095 0.078 Uiso 1 1 calc R . .
H34B H 0.4506 0.0383 0.1472 0.078 Uiso 1 1 calc R . .
H34C H 0.2786 -0.0478 0.1668 0.078 Uiso 1 1 calc R . .
C31 C 0.1410(5) 0.0086(2) 0.07589(18) 0.0414(7) Uani 1 1 d . . .
C32 C 0.2153(5) 0.0488(2) 0.01390(19) 0.0439(7) Uani 1 1 d . . .
H31 H 0.3655 0.0835 0.0219 0.053 Uiso 1 1 calc R . .
C33 C -0.0771(5) -0.0407(2) 0.0615(2) 0.0482(7) Uani 1 1 d . . .
H32 H -0.1357 -0.0699 0.1029 0.058 Uiso 1 1 calc R . .
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'
F F 0.0171 0.0103 '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'
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
C1 O1 C4 119.69(17) . . ?
C2 O2 C10 118.04(16) . . ?
C3 O3 C16 115.17(16) . . ?
C1 N1 C3 112.09(18) . . ?
C1 N2 C2 111.82(18) . . ?
C3 N3 C2 111.26(18) . . ?
N1 C1 N2 127.7(2) . . ?
N1 C1 O1 112.55(19) . . ?
N2 C1 O1 119.77(19) . . ?
N3 C2 N2 128.45(19) . . ?
N3 C2 O2 113.18(18) . . ?
N2 C2 O2 118.37(18) . . ?
N3 C3 N1 128.70(19) . . ?
N3 C3 O3 114.38(18) . . ?
N1 C3 O3 116.91(18) . . ?
C9 C4 C5 119.9(2) . . ?
C9 C4 O1 120.3(2) . . ?
C5 C4 O1 119.3(2) . . ?
F1 C5 C4 120.0(2) . . ?
F1 C5 C6 120.1(2) . . ?
C4 C5 C6 119.9(2) . . ?
F2 C6 C7 120.1(2) . . ?
F2 C6 C5 119.9(2) . . ?
C7 C6 C5 120.0(2) . . ?
F3 C7 C6 119.6(2) . . ?
F3 C7 C8 120.1(3) . . ?
C6 C7 C8 120.3(2) . . ?
F4 C8 C7 119.4(2) . . ?
F4 C8 C9 120.9(2) . . ?
C7 C8 C9 119.7(2) . . ?
F5 C9 C4 119.7(2) . . ?
F5 C9 C8 120.1(3) . . ?
C4 C9 C8 120.2(2) . . ?
C15 C10 C11 119.2(2) . . ?
C15 C10 O2 118.2(2) . . ?
C11 C10 O2 122.3(2) . . ?
F6 C11 C12 120.2(2) . . ?
F6 C11 C10 120.0(2) . . ?
C12 C11 C10 119.9(2) . . ?
F7 C12 C13 119.7(2) . . ?
F7 C12 C11 120.0(2) . . ?
C13 C12 C11 120.2(2) . . ?
F8 C13 C12 120.0(2) . . ?
F8 C13 C14 119.6(2) . . ?
C12 C13 C14 120.4(2) . . ?
F9 C14 C15 120.5(2) . . ?
F9 C14 C13 120.1(2) . . ?
C15 C14 C13 119.4(2) . . ?
F10 C15 C10 119.51(19) . . ?
F10 C15 C14 119.5(2) . . ?
C10 C15 C14 121.0(2) . . ?
C17 C16 C21 118.8(2) . . ?
C17 C16 O3 119.5(2) . . ?
C21 C16 O3 121.7(2) . . ?
F11 C17 C16 119.72(19) . . ?
F11 C17 C18 118.9(2) . . ?
C16 C17 C18 121.4(2) . . ?
F12 C18 C19 120.5(2) . . ?
F12 C18 C17 120.1(2) . . ?
C19 C18 C17 119.4(2) . . ?
F13 C19 C18 120.4(2) . . ?
F13 C19 C20 119.6(2) . . ?
C18 C19 C20 120.0(2) . . ?
F14 C20 C19 119.9(2) . . ?
F14 C20 C21 119.9(2) . . ?
C19 C20 C21 120.2(2) . . ?
F15 C21 C20 120.1(2) . . ?
F15 C21 C16 119.7(2) . . ?
C20 C21 C16 120.1(2) . . ?
C31 C30 H34A 109.5 . . ?
C31 C30 H34B 109.5 . . ?
H34A C30 H34B 109.5 . . ?
C31 C30 H34C 109.5 . . ?
H34A C30 H34C 109.5 . . ?
H34B C30 H34C 109.5 . . ?
C32 C31 C33 116.7(3) . . ?
C32 C31 C30 121.2(3) . . ?
C33 C31 C30 122.1(3) . . ?
C31 C32 C33 122.4(3) . 2 ?
C31 C32 H31 118.8 . . ?
C33 C32 H31 118.8 2 . ?
C31 C33 C32 121.0(3) . 2 ?
C31 C33 H32 119.5 . . ?
C32 C33 H32 119.5 2 . ?
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 C5 1.336(3) . ?
F2 C6 1.346(3) . ?
F3 C7 1.345(3) . ?
F4 C8 1.343(3) . ?
F5 C9 1.339(3) . ?
F6 C11 1.335(3) . ?
F7 C12 1.344(3) . ?
F8 C13 1.344(3) . ?
F9 C14 1.342(3) . ?
F10 C15 1.347(3) . ?
F11 C17 1.343(3) . ?
F12 C18 1.344(3) . ?
F13 C19 1.345(3) . ?
F14 C20 1.342(3) . ?
F15 C21 1.335(3) . ?
O1 C1 1.346(3) . ?
O1 C4 1.388(3) . ?
O2 C2 1.359(2) . ?
O2 C10 1.391(2) . ?
O3 C3 1.364(2) . ?
O3 C16 1.392(3) . ?
N1 C1 1.323(3) . ?
N1 C3 1.321(3) . ?
N2 C1 1.324(3) . ?
N2 C2 1.327(3) . ?
N3 C3 1.318(3) . ?
N3 C2 1.324(3) . ?
C4 C9 1.372(4) . ?
C4 C5 1.376(3) . ?
C5 C6 1.376(3) . ?
C6 C7 1.369(4) . ?
C7 C8 1.374(4) . ?
C8 C9 1.377(3) . ?
C10 C15 1.375(3) . ?
C10 C11 1.386(3) . ?
C11 C12 1.379(3) . ?
C12 C13 1.370(4) . ?
C13 C14 1.375(4) . ?
C14 C15 1.378(3) . ?
C16 C17 1.376(3) . ?
C16 C21 1.384(3) . ?
C17 C18 1.375(3) . ?
C18 C19 1.372(4) . ?
C19 C20 1.378(4) . ?
C20 C21 1.378(3) . ?
C30 C31 1.519(4) . ?
C30 H34A 0.9800 . ?
C30 H34B 0.9800 . ?
C30 H34C 0.9800 . ?
C31 C32 1.365(4) . ?
C31 C33 1.373(4) . ?
C32 C33 1.409(4) 2 ?
C32 H31 0.9500 . ?
C33 C32 1.409(4) 2 ?
C33 H32 0.9500 . ?
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 N1 C1 N2 0.7(4) . . . . ?
C3 N1 C1 O1 -179.0(2) . . . . ?
C2 N2 C1 N1 -0.5(4) . . . . ?
C2 N2 C1 O1 179.3(2) . . . . ?
C4 O1 C1 N1 -175.0(2) . . . . ?
C4 O1 C1 N2 5.3(3) . . . . ?
C3 N3 C2 N2 0.1(3) . . . . ?
C3 N3 C2 O2 -179.3(2) . . . . ?
C1 N2 C2 N3 0.0(3) . . . . ?
C1 N2 C2 O2 179.4(2) . . . . ?
C10 O2 C2 N3 178.9(2) . . . . ?
C10 O2 C2 N2 -0.6(3) . . . . ?
C2 N3 C3 N1 0.2(3) . . . . ?
C2 N3 C3 O3 -179.3(2) . . . . ?
C1 N1 C3 N3 -0.6(3) . . . . ?
C1 N1 C3 O3 178.9(2) . . . . ?
C16 O3 C3 N3 179.3(2) . . . . ?
C16 O3 C3 N1 -0.3(3) . . . . ?
C1 O1 C4 C9 81.6(3) . . . . ?
C1 O1 C4 C5 -106.5(3) . . . . ?
C9 C4 C5 F1 179.8(2) . . . . ?
O1 C4 C5 F1 7.8(3) . . . . ?
C9 C4 C5 C6 1.1(3) . . . . ?
O1 C4 C5 C6 -170.9(2) . . . . ?
F1 C5 C6 F2 -1.0(3) . . . . ?
C4 C5 C6 F2 177.8(2) . . . . ?
F1 C5 C6 C7 179.2(2) . . . . ?
C4 C5 C6 C7 -2.1(3) . . . . ?
F2 C6 C7 F3 1.0(3) . . . . ?
C5 C6 C7 F3 -179.2(2) . . . . ?
F2 C6 C7 C8 -178.2(2) . . . . ?
C5 C6 C7 C8 1.6(3) . . . . ?
F3 C7 C8 F4 -0.4(3) . . . . ?
C6 C7 C8 F4 178.7(2) . . . . ?
F3 C7 C8 C9 -179.4(2) . . . . ?
C6 C7 C8 C9 -0.2(4) . . . . ?
C5 C4 C9 F5 -178.7(2) . . . . ?
O1 C4 C9 F5 -6.8(3) . . . . ?
C5 C4 C9 C8 0.4(3) . . . . ?
O1 C4 C9 C8 172.2(2) . . . . ?
F4 C8 C9 F5 -0.7(3) . . . . ?
C7 C8 C9 F5 178.3(2) . . . . ?
F4 C8 C9 C4 -179.7(2) . . . . ?
C7 C8 C9 C4 -0.8(4) . . . . ?
C2 O2 C10 C15 -112.3(2) . . . . ?
C2 O2 C10 C11 73.7(3) . . . . ?
C15 C10 C11 F6 -179.50(19) . . . . ?
O2 C10 C11 F6 -5.6(3) . . . . ?
C15 C10 C11 C12 0.5(3) . . . . ?
O2 C10 C11 C12 174.42(19) . . . . ?
F6 C11 C12 F7 0.5(3) . . . . ?
C10 C11 C12 F7 -179.5(2) . . . . ?
F6 C11 C12 C13 179.5(2) . . . . ?
C10 C11 C12 C13 -0.6(3) . . . . ?
F7 C12 C13 F8 -1.9(3) . . . . ?
C11 C12 C13 F8 179.2(2) . . . . ?
F7 C12 C13 C14 179.4(2) . . . . ?
C11 C12 C13 C14 0.5(3) . . . . ?
F8 C13 C14 F9 0.1(3) . . . . ?
C12 C13 C14 F9 178.8(2) . . . . ?
F8 C13 C14 C15 -179.1(2) . . . . ?
C12 C13 C14 C15 -0.3(3) . . . . ?
C11 C10 C15 F10 178.59(19) . . . . ?
O2 C10 C15 F10 4.4(3) . . . . ?
C11 C10 C15 C14 -0.4(3) . . . . ?
O2 C10 C15 C14 -174.55(19) . . . . ?
F9 C14 C15 F10 2.2(3) . . . . ?
C13 C14 C15 F10 -178.7(2) . . . . ?
F9 C14 C15 C10 -178.8(2) . . . . ?
C13 C14 C15 C10 0.3(3) . . . . ?
C3 O3 C16 C17 -104.7(2) . . . . ?
C3 O3 C16 C21 75.9(3) . . . . ?
C21 C16 C17 F11 -178.87(18) . . . . ?
O3 C16 C17 F11 1.7(3) . . . . ?
C21 C16 C17 C18 0.6(3) . . . . ?
O3 C16 C17 C18 -178.74(19) . . . . ?
F11 C17 C18 F12 -1.7(3) . . . . ?
C16 C17 C18 F12 178.83(19) . . . . ?
F11 C17 C18 C19 179.33(19) . . . . ?
C16 C17 C18 C19 -0.2(3) . . . . ?
F12 C18 C19 F13 -0.9(3) . . . . ?
C17 C18 C19 F13 178.2(2) . . . . ?
F12 C18 C19 C20 -179.9(2) . . . . ?
C17 C18 C19 C20 -0.9(3) . . . . ?
F13 C19 C20 F14 1.7(3) . . . . ?
C18 C19 C20 F14 -179.2(2) . . . . ?
F13 C19 C20 C21 -177.6(2) . . . . ?
C18 C19 C20 C21 1.5(3) . . . . ?
F14 C20 C21 F15 1.8(3) . . . . ?
C19 C20 C21 F15 -178.9(2) . . . . ?
F14 C20 C21 C16 179.71(19) . . . . ?
C19 C20 C21 C16 -1.0(3) . . . . ?
C17 C16 C21 F15 177.82(19) . . . . ?
O3 C16 C21 F15 -2.8(3) . . . . ?
C17 C16 C21 C20 -0.1(3) . . . . ?
O3 C16 C21 C20 179.32(19) . . . . ?
C33 C31 C32 C33 0.0(4) . . . 2 ?
C30 C31 C32 C33 -179.3(2) . . . 2 ?
C32 C31 C33 C32 0.0(4) . . . 2 ?
C30 C31 C33 C32 179.3(2) . . . 2 ?
