# Supplementary Material (ESI) for New Journal of Chemistry
# This journal is © The Royal Society of Chemistry and 
# The Centre National de la Recherche Scientifique, 2004


data_global
_journal_name_full               'New J.Chem.(Nouv.J.Chim.)'

_journal_coden_Cambridge         0440

_publ_contact_author_name        'Dr Matthias Bremer'
_publ_contact_author_address     
;
R&D Chemistry Section
Merck KGaA - Division of Liquid Crystals
Frankfurterstr. 250
Darmstadt
D-64271
GERMANY
;

_publ_contact_author_email       MATTHIAS.BREMER@MERCK.DE

_publ_section_title              
;
1,1,6,7-Tetrafluoroindanes: Improved Liquid Crystals
for LCD-TV-Application
;
loop_
_publ_author_name
'Matthias Bremer'
'Lars Lietzau'

data_me34
_database_code_depnum_ccdc_archive 'CCDC 229584'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C19 H24 F4'
_chemical_formula_weight         328.38

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'

_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                   8.9610(10)
_cell_length_b                   9.2530(10)
_cell_length_c                   11.405(2)
_cell_angle_alpha                109.380(10)
_cell_angle_beta                 103.190(10)
_cell_angle_gamma                96.750(10)
_cell_volume                     849.1(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    299(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       Platelet
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.284
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             348
_exptl_absorpt_coefficient_mu    0.104
_exptl_absorpt_correction_type   non
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      299(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  'Oxford Diffraction Xcalibur CCD'
_diffrn_measurement_method       
;
Rotation method data acquisition using omega and phi scans.
;
_diffrn_detector_area_resol_mean 'Sapphire CCD detector'
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7986
_diffrn_reflns_av_R_equivalents  0.0306
_diffrn_reflns_av_sigmaI/netI    0.0563
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         4.13
_diffrn_reflns_theta_max         26.37
_reflns_number_total             3434
_reflns_number_gt                1753
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlis CCD (Oxford Diffraction Limited, 2001)
;
_computing_cell_refinement       
;
CrysAlis RED (Oxford Diffraction Limited, 2001)
;
_computing_data_reduction        
;
CrysAlis RED (Oxford Diffraction Limited, 2001)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997-2002)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.0688P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3434
_refine_ls_number_parameters     282
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1287
_refine_ls_R_factor_gt           0.0550
_refine_ls_wR_factor_ref         0.1486
_refine_ls_wR_factor_gt          0.1181
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_restrained_S_all      0.986
_refine_ls_shift/su_max          0.024
_refine_ls_shift/su_mean         0.001

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
C1 C 0.0174(3) -0.4966(3) 0.7829(3) 0.0541(7) Uani 1 1 d . . .
C2 C -0.0225(3) -0.4331(3) 0.6905(3) 0.0546(7) Uani 1 1 d . . .
C3 C 0.0280(3) -0.2777(3) 0.7137(2) 0.0513(7) Uani 1 1 d . . .
C4 C 0.1192(3) -0.1803(3) 0.8360(2) 0.0443(6) Uani 1 1 d . . .
C5 C 0.1608(3) -0.2393(3) 0.9316(2) 0.0440(6) Uani 1 1 d . . .
C6 C 0.1112(3) -0.3978(3) 0.9052(3) 0.0531(7) Uani 1 1 d . . .
H6 H 0.143(3) -0.436(3) 0.972(2) 0.064 Uiso 1 1 d . . .
C7 C 0.2613(3) -0.1109(3) 1.0556(3) 0.0510(7) Uani 1 1 d . . .
H7A H 0.370(3) -0.121(3) 1.068(2) 0.061 Uiso 1 1 d . . .
H7B H 0.228(3) -0.116(3) 1.128(3) 0.061 Uiso 1 1 d . . .
C8 C 0.1864(3) -0.0101(3) 0.8862(2) 0.0471(6) Uani 1 1 d . . .
C9 C 0.2384(3) 0.0402(3) 1.0326(2) 0.0499(7) Uani 1 1 d . . .
H9 H 0.142(3) 0.070(3) 1.060(2) 0.060 Uiso 1 1 d . . .
C10 C 0.3700(3) 0.1841(3) 1.1063(2) 0.0471(6) Uani 1 1 d . . .
H10 H 0.459(3) 0.158(3) 1.079(2) 0.056 Uiso 1 1 d . . .
C11 C 0.4144(3) 0.2221(3) 1.2517(3) 0.0553(7) Uani 1 1 d . . .
H11A H 0.315(3) 0.238(3) 1.277(2) 0.066 Uiso 1 1 d . . .
H11B H 0.446(3) 0.134(3) 1.269(3) 0.066 Uiso 1 1 d . . .
C12 C 0.5415(4) 0.3682(3) 1.3271(3) 0.0608(8) Uani 1 1 d . . .
H12A H 0.639(3) 0.350(3) 1.310(3) 0.073 Uiso 1 1 d . . .
H12B H 0.565(3) 0.393(3) 1.421(3) 0.073 Uiso 1 1 d . . .
C13 C 0.5038(3) 0.5109(3) 1.2988(3) 0.0556(7) Uani 1 1 d . . .
H13 H 0.406(3) 0.527(3) 1.324(2) 0.067 Uiso 1 1 d . . .
C14 C 0.4617(3) 0.4738(3) 1.1545(3) 0.0585(7) Uani 1 1 d . . .
H14A H 0.558(3) 0.456(3) 1.130(2) 0.070 Uiso 1 1 d . . .
H14B H 0.434(3) 0.561(3) 1.131(3) 0.070 Uiso 1 1 d . . .
C15 C 0.3346(3) 0.3275(3) 1.0769(3) 0.0584(7) Uani 1 1 d . . .
H15A H 0.317(3) 0.310(3) 0.990(3) 0.070 Uiso 1 1 d . . .
H15B H 0.227(3) 0.342(3) 1.093(2) 0.070 Uiso 1 1 d . . .
C16 C 0.6311(4) 0.6563(4) 1.3773(3) 0.0692(9) Uani 1 1 d . . .
H16A H 0.664(3) 0.670(3) 1.467(3) 0.083 Uiso 1 1 d . . .
H16B H 0.717(3) 0.643(3) 1.342(3) 0.083 Uiso 1 1 d . . .
C17 C 0.5960(5) 0.8090(4) 1.3725(5) 0.0914(12) Uani 1 1 d . . .
H17A H 0.577(5) 0.810(5) 1.289(4) 0.128(16) Uiso 1 1 d . . .
H17B H 0.498(5) 0.811(4) 1.398(4) 0.125(16) Uiso 1 1 d . . .
C18 C 0.7196(6) 0.9516(4) 1.4582(4) 0.1052(14) Uani 1 1 d . . .
H18A H 0.688(4) 1.045(5) 1.449(4) 0.126 Uiso 1 1 d . . .
H18B H 0.751(4) 0.966(4) 1.552(4) 0.126 Uiso 1 1 d . . .
H28C H 0.815(5) 0.938(5) 1.443(4) 0.126 Uiso 1 1 d . . .
C19 C -0.0430(5) -0.6676(4) 0.7502(4) 0.0793(10) Uani 1 1 d . . .
H19A H -0.008(4) -0.702(4) 0.822(3) 0.095 Uiso 1 1 d . . .
H19B H -0.158(4) -0.697(4) 0.726(3) 0.095 Uiso 1 1 d . . .
H19C H -0.009(4) -0.731(4) 0.684(3) 0.095 Uiso 1 1 d . . .
F1 F -0.11684(19) -0.52532(18) 0.57114(15) 0.0795(5) Uani 1 1 d . . .
F2 F -0.01384(19) -0.22206(17) 0.61932(15) 0.0787(5) Uani 1 1 d . . .
F3 F 0.08176(18) 0.07147(17) 0.84572(16) 0.0750(5) Uani 1 1 d . . .
F4 F 0.30948(17) 0.01794(17) 0.83840(14) 0.0686(5) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.0530(16) 0.0434(16) 0.0671(19) 0.0195(15) 0.0198(15) 0.0123(14)
C2 0.0491(16) 0.0474(17) 0.0538(17) 0.0090(14) 0.0074(13) 0.0036(13)
C3 0.0499(15) 0.0526(17) 0.0489(16) 0.0241(14) 0.0035(13) 0.0066(13)
C4 0.0399(13) 0.0447(15) 0.0477(15) 0.0182(12) 0.0100(12) 0.0082(12)
C5 0.0402(14) 0.0468(15) 0.0488(15) 0.0214(13) 0.0128(12) 0.0123(12)
C6 0.0537(16) 0.0535(18) 0.0592(18) 0.0281(15) 0.0167(14) 0.0149(14)
C7 0.0507(16) 0.0576(17) 0.0478(16) 0.0267(14) 0.0110(13) 0.0075(14)
C8 0.0432(14) 0.0496(16) 0.0533(16) 0.0276(13) 0.0083(12) 0.0136(12)
C9 0.0461(15) 0.0510(16) 0.0504(16) 0.0197(13) 0.0100(12) 0.0067(13)
C10 0.0438(14) 0.0505(16) 0.0450(15) 0.0184(12) 0.0092(12) 0.0070(12)
C11 0.0607(17) 0.0546(18) 0.0468(16) 0.0206(14) 0.0073(14) 0.0078(15)
C12 0.0649(18) 0.0642(19) 0.0435(16) 0.0181(15) 0.0043(14) 0.0047(16)
C13 0.0530(16) 0.0553(17) 0.0497(16) 0.0122(14) 0.0110(13) 0.0067(14)
C14 0.0627(18) 0.0526(18) 0.0524(17) 0.0182(14) 0.0089(14) 0.0015(15)
C15 0.0663(19) 0.0540(18) 0.0466(16) 0.0188(15) 0.0043(15) 0.0047(15)
C16 0.074(2) 0.062(2) 0.0549(18) 0.0121(16) 0.0108(17) -0.0045(17)
C17 0.103(3) 0.060(2) 0.085(3) 0.018(2) 0.001(2) -0.003(2)
C18 0.125(4) 0.057(2) 0.097(3) 0.010(2) 0.004(3) -0.007(3)
C19 0.085(2) 0.049(2) 0.099(3) 0.0271(18) 0.021(2) 0.0070(18)
F1 0.0866(11) 0.0595(10) 0.0643(11) 0.0097(9) 0.0002(9) -0.0078(9)
F2 0.0974(13) 0.0655(10) 0.0568(10) 0.0282(8) -0.0091(9) 0.0014(9)
F3 0.0746(11) 0.0549(10) 0.0825(11) 0.0276(9) -0.0070(9) 0.0173(9)
F4 0.0717(10) 0.0732(11) 0.0575(9) 0.0244(8) 0.0211(8) -0.0036(8)

_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
C1 C2 1.368(4) . ?
C1 C6 1.387(4) . ?
C1 C19 1.500(4) . ?
C2 F1 1.353(3) . ?
C2 C3 1.372(3) . ?
C3 F2 1.339(3) . ?
C3 C4 1.377(3) . ?
C4 C5 1.373(3) . ?
C4 C8 1.480(3) . ?
C5 C6 1.389(3) . ?
C5 C7 1.509(3) . ?
C6 H6 0.94(3) . ?
C7 C9 1.533(4) . ?
C7 H7A 0.97(2) . ?
C7 H7B 0.95(3) . ?
C8 F3 1.365(3) . ?
C8 F4 1.372(3) . ?
C8 C9 1.517(3) . ?
C9 C10 1.519(3) . ?
C9 H9 1.02(2) . ?
C10 C11 1.520(3) . ?
C10 C15 1.523(4) . ?
C10 H10 0.95(2) . ?
C11 C12 1.511(4) . ?
C11 H11A 1.01(2) . ?
C11 H11B 0.96(3) . ?
C12 C13 1.516(4) . ?
C12 H12A 0.96(3) . ?
C12 H12B 0.98(3) . ?
C13 C14 1.510(4) . ?
C13 C16 1.513(4) . ?
C13 H13 1.00(2) . ?
C14 C15 1.514(4) . ?
C14 H14A 0.98(2) . ?
C14 H14B 0.97(3) . ?
C15 H15A 0.92(3) . ?
C15 H15B 1.04(3) . ?
C16 C17 1.498(5) . ?
C16 H16A 0.96(3) . ?
C16 H16B 0.95(3) . ?
C17 C18 1.493(5) . ?
C17 H17A 0.93(4) . ?
C17 H17B 0.98(4) . ?
C18 H18A 0.98(4) . ?
C18 H18B 1.00(4) . ?
C18 H28C 0.93(4) . ?
C19 H19A 0.97(3) . ?
C19 H19B 0.98(3) . ?
C19 H19C 0.92(3) . ?

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
C2 C1 C6 117.9(2) . . ?
C2 C1 C19 119.6(3) . . ?
C6 C1 C19 122.5(3) . . ?
F1 C2 C1 119.5(2) . . ?
F1 C2 C3 117.8(3) . . ?
C1 C2 C3 122.7(2) . . ?
F2 C3 C2 120.2(2) . . ?
F2 C3 C4 121.0(2) . . ?
C2 C3 C4 118.8(2) . . ?
C5 C4 C3 120.2(2) . . ?
C5 C4 C8 110.3(2) . . ?
C3 C4 C8 129.5(2) . . ?
C4 C5 C6 120.0(2) . . ?
C4 C5 C7 110.3(2) . . ?
C6 C5 C7 129.7(2) . . ?
C1 C6 C5 120.3(3) . . ?
C1 C6 H6 121.2(16) . . ?
C5 C6 H6 118.5(16) . . ?
C5 C7 C9 103.9(2) . . ?
C5 C7 H7A 109.4(14) . . ?
C9 C7 H7A 111.0(15) . . ?
C5 C7 H7B 110.8(15) . . ?
C9 C7 H7B 111.8(15) . . ?
H7A C7 H7B 110(2) . . ?
F3 C8 F4 104.82(19) . . ?
F3 C8 C4 112.21(19) . . ?
F4 C8 C4 110.28(19) . . ?
F3 C8 C9 112.3(2) . . ?
F4 C8 C9 111.8(2) . . ?
C4 C8 C9 105.5(2) . . ?
C8 C9 C10 116.5(2) . . ?
C8 C9 C7 104.3(2) . . ?
C10 C9 C7 117.4(2) . . ?
C8 C9 H9 103.9(14) . . ?
C10 C9 H9 106.0(13) . . ?
C7 C9 H9 107.7(13) . . ?
C9 C10 C11 112.0(2) . . ?
C9 C10 C15 113.1(2) . . ?
C11 C10 C15 110.3(2) . . ?
C9 C10 H10 106.2(14) . . ?
C11 C10 H10 106.7(15) . . ?
C15 C10 H10 108.1(14) . . ?
C12 C11 C10 112.8(2) . . ?
C12 C11 H11A 109.8(14) . . ?
C10 C11 H11A 105.4(15) . . ?
C12 C11 H11B 110.7(16) . . ?
C10 C11 H11B 109.4(16) . . ?
H11A C11 H11B 109(2) . . ?
C11 C12 C13 113.6(2) . . ?
C11 C12 H12A 110.1(16) . . ?
C13 C12 H12A 109.2(17) . . ?
C11 C12 H12B 111.6(16) . . ?
C13 C12 H12B 108.7(16) . . ?
H12A C12 H12B 103(2) . . ?
C14 C13 C16 113.7(2) . . ?
C14 C13 C12 109.9(2) . . ?
C16 C13 C12 112.7(2) . . ?
C14 C13 H13 105.9(15) . . ?
C16 C13 H13 108.9(15) . . ?
C12 C13 H13 105.2(15) . . ?
C13 C14 C15 113.2(2) . . ?
C13 C14 H14A 105.3(16) . . ?
C15 C14 H14A 108.5(15) . . ?
C13 C14 H14B 112.9(16) . . ?
C15 C14 H14B 110.0(16) . . ?
H14A C14 H14B 106(2) . . ?
C14 C15 C10 113.6(2) . . ?
C14 C15 H15A 108.5(16) . . ?
C10 C15 H15A 111.9(17) . . ?
C14 C15 H15B 112.0(14) . . ?
C10 C15 H15B 106.7(15) . . ?
H15A C15 H15B 104(2) . . ?
C17 C16 C13 117.2(3) . . ?
C17 C16 H16A 106.5(18) . . ?
C13 C16 H16A 111.8(18) . . ?
C17 C16 H16B 104.7(18) . . ?
C13 C16 H16B 106.6(18) . . ?
H16A C16 H16B 110(3) . . ?
C18 C17 C16 115.9(4) . . ?
C18 C17 H17A 106(3) . . ?
C16 C17 H17A 112(3) . . ?
C18 C17 H17B 112(2) . . ?
C16 C17 H17B 102(2) . . ?
H17A C17 H17B 109(4) . . ?
C17 C18 H18A 111(3) . . ?
C17 C18 H18B 115(2) . . ?
H18A C18 H18B 110(3) . . ?
C17 C18 H28C 110(3) . . ?
H18A C18 H28C 114(4) . . ?
H18B C18 H28C 98(3) . . ?
C1 C19 H19A 113.6(19) . . ?
C1 C19 H19B 113.4(18) . . ?
H19A C19 H19B 104(3) . . ?
C1 C19 H19C 113(2) . . ?
H19A C19 H19C 104(3) . . ?
H19B C19 H19C 108(3) . . ?

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 F1 -178.5(2) . . . . ?
C19 C1 C2 F1 0.5(4) . . . . ?
C6 C1 C2 C3 0.8(4) . . . . ?
C19 C1 C2 C3 179.8(3) . . . . ?
F1 C2 C3 F2 -1.1(3) . . . . ?
C1 C2 C3 F2 179.6(2) . . . . ?
F1 C2 C3 C4 177.5(2) . . . . ?
C1 C2 C3 C4 -1.8(4) . . . . ?
F2 C3 C4 C5 179.9(2) . . . . ?
C2 C3 C4 C5 1.3(3) . . . . ?
F2 C3 C4 C8 -0.6(4) . . . . ?
C2 C3 C4 C8 -179.2(2) . . . . ?
C3 C4 C5 C6 0.1(3) . . . . ?
C8 C4 C5 C6 -179.5(2) . . . . ?
C3 C4 C5 C7 179.5(2) . . . . ?
C8 C4 C5 C7 -0.1(3) . . . . ?
C2 C1 C6 C5 0.6(4) . . . . ?
C19 C1 C6 C5 -178.3(3) . . . . ?
C4 C5 C6 C1 -1.1(3) . . . . ?
C7 C5 C6 C1 179.6(2) . . . . ?
C4 C5 C7 C9 14.6(3) . . . . ?
C6 C5 C7 C9 -166.0(2) . . . . ?
C5 C4 C8 F3 -137.4(2) . . . . ?
C3 C4 C8 F3 43.0(3) . . . . ?
C5 C4 C8 F4 106.1(2) . . . . ?
C3 C4 C8 F4 -73.4(3) . . . . ?
C5 C4 C8 C9 -14.8(2) . . . . ?
C3 C4 C8 C9 165.7(2) . . . . ?
F3 C8 C9 C10 -83.2(3) . . . . ?
F4 C8 C9 C10 34.3(3) . . . . ?
C4 C8 C9 C10 154.2(2) . . . . ?
F3 C8 C9 C7 145.6(2) . . . . ?
F4 C8 C9 C7 -96.9(2) . . . . ?
C4 C8 C9 C7 23.0(2) . . . . ?
C5 C7 C9 C8 -22.7(3) . . . . ?
C5 C7 C9 C10 -153.3(2) . . . . ?
C8 C9 C10 C11 -179.0(2) . . . . ?
C7 C9 C10 C11 -54.2(3) . . . . ?
C8 C9 C10 C15 55.6(3) . . . . ?
C7 C9 C10 C15 -179.6(2) . . . . ?
C9 C10 C11 C12 -178.0(2) . . . . ?
C15 C10 C11 C12 -51.1(3) . . . . ?
C10 C11 C12 C13 54.1(3) . . . . ?
C11 C12 C13 C14 -53.3(3) . . . . ?
C11 C12 C13 C16 178.8(2) . . . . ?
C16 C13 C14 C15 179.7(3) . . . . ?
C12 C13 C14 C15 52.4(3) . . . . ?
C13 C14 C15 C10 -53.1(3) . . . . ?
C9 C10 C15 C14 177.2(2) . . . . ?
C11 C10 C15 C14 50.9(3) . . . . ?
C14 C13 C16 C17 63.1(4) . . . . ?
C12 C13 C16 C17 -171.0(3) . . . . ?
C13 C16 C17 C18 175.8(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.154
_refine_diff_density_min         -0.158
_refine_diff_density_rms         0.034