(E)-3,5-difluoro-N-(3,4,5-trifluorobenzylidene)aniline
Tizzard, G.; Ling, S.; Threlfall, T.; Coles, S.; Crystal Structure Report Archive  (2010) 1420–; doi:

data_1520477
_publ_section_title
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 (E)-3,5-difluoro-N-(3,4,5-trifluorobenzylidene)aniline
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_journal_name_full               'Crystal Structure Report Archive'
_journal_page_first              1420
_journal_year                    2010
_chemical_formula_sum            'C13 H0 F5 N'
_chemical_formula_weight         265.14
_space_group_IT_number           2
_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
_cell_angle_alpha                87.348(7)
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   7.1359(12)
_cell_length_b                   15.247(2)
_cell_length_c                   20.576(3)
_cell_measurement_temperature    120(2)
_cell_volume                     2236.3(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_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  0.1805
_diffrn_reflns_av_sigmaI/netI    0.2034
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            23969
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.97
_exptl_absorpt_coefficient_mu    0.153
_exptl_absorpt_correction_T_max  0.9970
_exptl_absorpt_correction_T_min  0.9585
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1040
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.522
_refine_diff_density_min         -0.387
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         7705
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.988
_refine_ls_R_factor_all          0.2679
_refine_ls_R_factor_gt           0.1037
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1235P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2289
_refine_ls_wR_factor_ref         0.3234
_reflns_number_gt                2624
_reflns_number_total             7705
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            eCrystal-1420.cif
_cod_data_source_block           2010sl0001a
_cod_depositor_comments
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Citation :
Tizzard, G and Ling, S and Threlfall, T and Coles, S (2010) 
University of Southampton, Crystal Structure Report Archive. 
(doi:10.5258/ecrystals/1420)

More at:
http://ecrystals.chem.soton.ac.uk/1420/
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_cod_original_cell_volume        2236.4(6)
_cod_database_code               1520477