Dispiro(fluorene-9,4'-[1,3]dithiolane-5',9''-fluorene)
Leino, R. P.; Luttikhedde, H. J. G.; Nasman, J. H.; Ahlgrén, M.; Pakkanen, T.; Acta Crystallographica Section C 51 (1995) 1593–1594; doi:10.1107/S010827019500165X

data_2003842
_publ_section_title
;
 Dispiro(fluorene-9,4'-[1,3]dithiolane-5',9''-fluorene)
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1593
_journal_page_last               1594
_journal_paper_doi               10.1107/S010827019500165X
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C27 H18 S2'
_chemical_formula_weight         406.56
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                79.42(3)
_cell_angle_beta                 69.85(3)
_cell_angle_gamma                62.55(3)
_cell_formula_units_Z            2
_cell_length_a                   9.299(3)
_cell_length_b                   9.592(4)
_cell_length_c                   13.263(5)
_cell_measurement_reflns_used    26
_cell_measurement_temperature    293
_cell_measurement_theta_max      14.5
_cell_measurement_theta_min      8.8
_cell_volume                     985.1(7)
_diffrn_measurement_device       'Nicolet R3m'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3499
_diffrn_reflns_theta_max         25.0
_diffrn_standards_decay_%        4
_diffrn_standards_interval_count 98
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.27
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_description       arrowhead
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.28
_refine_diff_density_min         -0.26
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.153
_refine_ls_number_parameters     262
_refine_ls_number_reflns         2070
_refine_ls_R_factor_obs          0.047
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.0005F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.047
_reflns_number_observed          2070
_reflns_number_total             3499
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            pa1161.cif
_cod_data_source_block           pa1161a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' 1/[\s^2^(F)+0.0005F^2^]' 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)+0.0005F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        985.1(6)
_cod_database_code               2003842