The stereochemistry of overcrowded homomerous bistricyclic aromatic enes with alkylidene bridges
Tapuhi, Yitzhak; Rachel Suissa, Michal; Cohen, Shmuel; Biedermann, P. Ulrich; Levy, Amalia; Agranat, Israel; Journal of the Chemical Society, Perkin Transactions 2  (2000) 93–; doi:10.1039/a906696i

data_7203882
_publ_section_title
;
 The stereochemistry of overcrowded homomerous bistricyclic aromatic
 enes with alkylidene bridges
;
_journal_issue                   1
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions 2'
_journal_page_first              93
_journal_paper_doi               10.1039/a906696i
_journal_year                    2000
_chemical_compound_source        'Rachel Suissa'
_chemical_formula_moiety         1/2(C32H30)
_chemical_formula_weight         207.29
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Mon Jun 28 09:01:28 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.1390
_cell_length_b                   8.2600
_cell_length_c                   11.8160
_cell_measurement_reflns_used    18
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      10.0
_cell_volume                     1184.768
_computing_cell_refinement       'Philips 1100 Diffractometer Control'
_computing_data_collection       'Philips 1100 Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      293.2
_diffrn_measurement_device       UNKNOWN
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_detector       scintillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  2.25
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2606
_diffrn_reflns_theta_max         26.01
_diffrn_reflns_theta_min         2
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 75
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.061
_exptl_crystal_colour            unknown
_exptl_crystal_density_diffrn    1.162
_exptl_crystal_density_meas      0.000
_exptl_crystal_description       unknown
_exptl_crystal_F_000             444.00
_exptl_crystal_size_max          0.000
_exptl_crystal_size_mid          0.000
_exptl_crystal_size_min          0.000
_refine_diff_density_max         -0.22
_refine_diff_density_min         0.20
_refine_ls_extinction_coef       20.42225
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   1.750
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     146
_refine_ls_number_reflns         1553
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0540
_refine_ls_shift/esd_max         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0650
_reflns_number_observed          1553
_reflns_number_total             2606
_reflns_observed_criterion       2.00
_cod_data_source_file            a906696i.txt
_cod_data_source_block           '[E87]_R.S._P21/n'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 31 time.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        1184.6000
_cod_original_sg_symbol_H-M      'P 21/n     '
_cod_database_code               7203882