An Indanyl Precursor to a Chiral Spiro Compound
Schaefer, W. P.; Abulū, J.; Acta Crystallographica Section C 51 (1995) 2364–2366; doi:10.1107/S0108270195005609

data_2004112
_publ_section_title
;
 An Indanyl Precursor to a Chiral Spiro Compound
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2364
_journal_page_last               2366
_journal_paper_doi               10.1107/S0108270195005609
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C18 H16'
_chemical_formula_weight         232.32
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 93.00(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.758(5)
_cell_length_b                   5.3910(10)
_cell_length_c                   16.844(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      13.4
_cell_measurement_theta_min      11.4
_cell_volume                     1247.6(6)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents
'0.010 for 155 duplicates; GOF 1.01 for 1781 reflections'
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            7190
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        'within statistical expectations'
_diffrn_standards_interval_time  150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.065
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.24
_exptl_crystal_description       'triangular prism (irregular)'
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.37
_refine_diff_density_max         0.28
_refine_diff_density_min         -0.16
_refine_ls_extinction_coef       0.95E-6(22)
_refine_ls_extinction_method     'Larson (1967)'
_refine_ls_goodness_of_fit_obs   2.95
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     115
_refine_ls_number_reflns         1781
_refine_ls_R_factor_obs
'0.050 for all F^2^ > 0, 0.044 for all F^2^ > 3\s(F^2^)'
_refine_ls_shift/esd_max         <0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      'sigma w = 1/\s^2^(F~o~^2^)'
_refine_ls_wR_factor_obs         '0.011 for all 1781 data'
_reflns_number_observed          1781
_reflns_number_total             1781
_reflns_observed_criterion
'(all reflections used, F~o~^2^ positive and negative)'
_cod_data_source_file            cr1180.cif
_cod_data_source_block           cr1180a
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2004112