6,6a,7,11b-Tetrahydro-6a-methyl-5-phenyl-5,7-methano-5<i>H</i>-benzo[<i>c</i>]fluorene and 9-methyl-1,3,9-triphenylfluorene
Sullins, D. W.; Holt, E. M.; Eisenbraun, E. J.; Acta Crystallographica Section C 49 (1993) 1783–1786; doi:10.1107/S0108270193001647

data_2001308
_publ_section_title
;6,6a,7,11b-Tetrahydro-6a-methyl-5-phenyl-5,7-methano-5<i>H</i>-benzo[<i>c</i>]fluorene
 and 9-methyl-1,3,9-triphenylfluorene
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1783
_journal_page_last               1786
_journal_paper_doi               10.1107/S0108270193001647
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C32 H24'
_chemical_formula_sum            'C32 H24'
_chemical_formula_weight         408.5
_chemical_melting_point          .171E-169
_chemical_name_systematic        '    9-Methyl-1,3,9-triphenyl-4aH-fluorene.'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                106.90(2)
_cell_angle_beta                 77.24(2)
_cell_angle_gamma                107.96(2)
_cell_formula_units_Z            2
_cell_length_a                   10.543(3)
_cell_length_b                   11.400(3)
_cell_length_c                   10.444(3)
_cell_measurement_reflns_used    13
_cell_measurement_temperature    298
_cell_measurement_theta_max      13.66
_cell_measurement_theta_min      8.42
_cell_volume                     1130.6(6)
_diffrn_ambient_temperature      298
_diffrn_measurement_device       'Syntex P3 automated diffractometer'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            5072
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         1.0
_diffrn_standards_decay_%        <5
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.20
_exptl_crystal_description       rhombohedron
_exptl_crystal_F_000             432
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.68
_refine_ls_goodness_of_fit_obs   0.61
_refine_ls_hydrogen_treatment
;
 H-atom positional parameters refined with
 isotropic thermal parameters
;
_refine_ls_matrix_type           full
_refine_ls_number_parameters     386
_refine_ls_number_reflns         2613
_refine_ls_R_factor_obs          4.8%
_refine_ls_shift/esd_max         2.24
_refine_ls_shift/esd_mean        0.39
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         4.5%
_reflns_number_observed          2613
_reflns_number_total             5072
_reflns_observed_criterion       I>3.0\s(I)
_cod_data_source_file            hh1040.cif
_cod_data_source_block           holt_compound_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1130.6(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2001308