1,8-Dichloro-9,10-dihydro-9,10-ethenoanthracene
Benites, Maria del Rosario; Maverick, Andrew W.; Fronczek, Frank R.; Acta Crystallographica Section C 53 (1997) 1334–1335; doi:10.1107/S0108270197006355

data_2006456
_publ_section_title
;
 1,8-Dichloro-9,10-dihydro-9,10-ethenoanthracene
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1334
_journal_page_last               1335
_journal_paper_doi               10.1107/S0108270197006355
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'C16 H10 Cl2'
_chemical_formula_weight         273.16
_chemical_name_systematic
;
1,8-Dichloro-9,10-dihydro-9,10-ethenoanthracene
;
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           International_Tables_for_Xray_Crystallography
_cell_angle_alpha                90
_cell_angle_beta                 104.340(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.2170(10)
_cell_length_b                   8.1008(3)
_cell_length_c                   14.4403(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    297
_cell_measurement_theta_max      29
_cell_measurement_theta_min      19
_cell_volume                     1271.26(15)
_computing_cell_refinement       CAD4_software
_computing_data_collection       CAD4_software_(Enraf-Nonius,_1977)
_computing_data_reduction        PROCESS_MolEN_(Fair,_1990)
_computing_molecular_graphics    ORTEPII_(Johnson,_1976)
_computing_publication_material  CIFIN_MolEN
_computing_structure_refinement  LSFM_MolEN
_computing_structure_solution    direct_methods_(MULTAN;_Main_et_al.,_1980)
_diffrn_measurement_device_type  Enraf_Nonius_CAD4
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           Cu-K\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.012
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            2841
_diffrn_reflns_theta_max         75
_diffrn_standards_decay_%        3.6
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.47
_exptl_absorpt_correction_T_max  0.47
_exptl_absorpt_correction_T_min  0.36
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_density_method    not_measured
_exptl_crystal_description       prism
_exptl_crystal_F_000             560
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.20
_refine_diff_density_min         -0.14
_refine_ls_extinction_coef       3.9E-6(2)
_refine_ls_extinction_method     isotropic_(Zachariasen,_1963)
_refine_ls_goodness_of_fit_ref   2.301
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     204
_refine_ls_number_reflns         2326
_refine_ls_R_factor_gt           0.039
_refine_ls_shift/su_max          0.023
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4Fo^2^/[\s^2^(Fo^2^) + 0.0009Fo^4^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.059
_reflns_number_gt                2326
_reflns_number_total             2532
_reflns_threshold_expression     I>1.0\s(I)
_cod_data_source_file            bk1334.cif
_cod_data_source_block           edca
_cod_original_cell_volume        1271.3(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2006456