<i>trans</i>-1,1'-Bis(indenylidene)
Capparelli, M. V.; Machado, R.; De Sanctis, Y.; Arce, A. J.; Acta Crystallographica Section C 52 (1996) 947–949; doi:10.1107/S0108270195014600

data_2004669
_publ_contact_author
;
     Dr. Mario V. Capparelli
     Centro de Qu\'imica
     Instituto Venezolano de Investigaciones Cient\'ificas (IVIC)
     Apartado 21827
     Caracas 1020-A
     VENEZUELA
;
_publ_section_title
;
 <i>trans</i>-1,1'-Bis(indenylidene)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              947
_journal_page_last               949
_journal_paper_doi               10.1107/S0108270195014600
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C18 H12'
_chemical_formula_weight         228.29
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 93.19(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.289(5)
_cell_length_b                   6.312(4)
_cell_length_c                   11.786(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(1)
_cell_measurement_theta_max      19.2
_cell_measurement_theta_min      7.0
_cell_volume                     615.7(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
1993a)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1993b)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'SHELXS86 (Shedrick, 1990)'
_diffrn_ambient_temperature      295.0(10)
_diffrn_measurement_device       AFC7S
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0372
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            1281
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         2.0
_diffrn_standards_decay_%        1.67
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.070
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.231
_exptl_crystal_description       prism
_exptl_crystal_F_000             240.00
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.12
_refine_diff_density_min         -0.13
_refine_ls_extinction_coef       0.35E-05(6)
_refine_ls_extinction_method     'Zachariasen (1968) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_obs   2.908
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     107
_refine_ls_number_reflns         771
_refine_ls_R_factor_obs          0.0421
_refine_ls_shift/esd_max         0.0002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0428
_reflns_number_observed          771
_reflns_number_total             1236
_reflns_observed_criterion       '> 2 sigma(I)'
_cod_data_source_file            ab1295.cif
_cod_data_source_block           RM-482_C18H12
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C18 H12 '
_cod_database_code               2004669