Naphtho[2,1-b:6,5-b']difuran: A Versatile Motif Available for Solution-Processed Single-Crystal Organic Field-Effect Transistors with High Hole Mobility
Chikahiko Mitsui; Junshi Soeda; Kazumoto Miwa; Hayato Tsuji; Jun Takeya; Eiichi Nakamura; Journal of the American Chemical Society 134 (2012) 5448–5451; doi:10.1021/ja2120635

data_4117732
_publ_section_title
;
 Naphtho[2,1-b:6,5-b']difuran: A Versatile Motif Available for
 Solution-Processed Single-Crystal Organic Field-Effect Transistors with
 High Hole Mobility
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5448
_journal_page_last               5451
_journal_paper_doi               10.1021/ja2120635
_journal_volume                  134
_journal_year                    2012
_chemical_formula_sum            'C42 H48 O2'
_chemical_formula_weight         584.80
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.887(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.2305(17)
_cell_length_b                   5.5995(6)
_cell_length_c                   23.802(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1746.7(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.944
_diffrn_measured_fraction_theta_max 0.944
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_wavelength     0.99622
_diffrn_reflns_av_R_equivalents  0.0521
_diffrn_reflns_av_sigmaI/netI    0.1598
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            16094
_diffrn_reflns_theta_full        40.30
_diffrn_reflns_theta_max         40.30
_diffrn_reflns_theta_min         2.42
_exptl_absorpt_coefficient_mu    0.066
_exptl_crystal_density_diffrn    1.112
_exptl_crystal_F_000             632
_refine_diff_density_max         0.107
_refine_diff_density_min         -0.111
_refine_diff_density_rms         0.028
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.522
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     200
_refine_ls_number_reflns         3789
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.522
_refine_ls_R_factor_all          0.2014
_refine_ls_R_factor_gt           0.0536
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0757P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1291
_refine_ls_wR_factor_ref         0.1458
_reflns_number_gt                681
_reflns_number_total             3789
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ja2120635_si_003.cif
_cod_data_source_block           c8dpndf02
_cod_database_code               4117732