2,2'-Bi(9,9-di-<i>n</i>-propylfluorene)
Suchod, Bernadette; Stéphan, Olivier; Kervella, Yann; Acta Crystallographica Section C 56 (2000) e297–e297; doi:10.1107/S010827010000768X

data_2011161
_publ_section_title
;
 2,2'-Bi(9,9-di-<i>n</i>-propylfluorene)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e297
_journal_page_last               e297
_journal_paper_doi               10.1107/S010827010000768X
_journal_volume                  56
_journal_year                    2000
_chemical_formula_sum            'C38 H42'
_chemical_formula_weight         498.75
_chemical_melting_point          458
_chemical_name_systematic        2,2'-bi(9,9-dipropylfluorene)
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           from_xtal_archive_file_using_CIFIO
_cell_angle_alpha                90.000(9)
_cell_angle_beta                 103.080(10)
_cell_angle_gamma                90.000(9)
_cell_formula_units_Z            2
_cell_length_a                   8.9944(9)
_cell_length_b                   16.257(2)
_cell_length_c                   10.5190(10)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    293
_cell_measurement_theta_max      12
_cell_measurement_theta_min      10
_cell_volume                     1498.2(3)
_computing_cell_refinement       'CAD-4 Software'
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_diffrn_measurement_device       'Nonius CAD-4'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .01
_diffrn_reflns_av_sigmaI/netI    .013
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
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_diffrn_reflns_limit_k_min       0
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_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4655
_diffrn_reflns_reduction_process perpendicular_monochr_Lp
_diffrn_reflns_theta_max         29.96
_diffrn_reflns_theta_min         2.32
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    .062
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            translucent_pale_white
_exptl_crystal_density_diffrn    1.106
_exptl_crystal_density_meas      ?
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             540
_exptl_crystal_size_max          .3
_exptl_crystal_size_mid          .3
_exptl_crystal_size_min          .2
_refine_diff_density_max         .202
_refine_diff_density_min         -.18
_refine_ls_extinction_coef       .85(3)
_refine_ls_extinction_method     'Zachariasen (1967)'
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_refine_ls_goodness_of_fit_ref   1.183
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_constraints    0
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_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .087
_refine_ls_R_factor_gt           .076
_refine_ls_shift/su_max          .027
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(0.1 + 1.4\s^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .047
_refine_ls_wR_factor_ref         .045
_reflns_number_gt                3724
_reflns_number_total             4355
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            qa0308.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2011161
_cod_database_fobs_code          2011161