[2,2']Bi[naphtho[2,3-b]furanyl]: a versatile organic semiconductor with a furan-furan junction
Kazuki Niimi; Hiroki Mori; Eigo Miyazaki; Itaru Osaka; Hayato Kakizoe; Kazuo Takimiya; Chihaya Adachi; Chem.Commun. 48 (2012) 5892–; doi:10.1039/c2cc31960h

data_7107805
_publ_section_title
;
 [2,2']Bi[naphtho[2,3-b]furanyl]: a versatile organic semiconductor with a
 furan-furan junction
;
_journal_name_full               Chem.Commun.
_journal_page_first              5892
_journal_paper_doi               10.1039/c2cc31960h
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'C24 H14 O2'
_chemical_formula_weight         334.35
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                85.512(11)
_cell_angle_beta                 82.285(10)
_cell_angle_gamma                85.930(11)
_cell_formula_units_Z            2
_cell_length_a                   5.986(4)
_cell_length_b                   7.803(5)
_cell_length_c                   17.433(11)
_cell_measurement_temperature    293(2)
_cell_volume                     802.9(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.930
_diffrn_measured_fraction_theta_max 0.930
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_av_sigmaI/netI    0.0547
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            6047
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.49
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_T_max  0.9828
_exptl_absorpt_correction_T_min  0.9336
_exptl_crystal_density_diffrn    1.383
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             348
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.251
_refine_diff_density_min         -0.223
_refine_diff_density_rms         0.046
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.890
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     237
_refine_ls_number_reflns         3415
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.890
_refine_ls_R_factor_all          0.0835
_refine_ls_R_factor_gt           0.0557
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1410
_refine_ls_wR_factor_ref         0.1605
_reflns_number_gt                1935
_reflns_number_total             3415
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc31960h.txt
_cod_data_source_block           crystalclear
_cod_original_cell_volume        802.9(8)
_cod_database_code               7107805