Effects of a highly lipophilic substituent on the environmental stability of naphthalene tetracarboxylic diimide-based n-channel thin-film transistors
Liang Zhao; Dongwei Zhang; Yanan Zhu; Sen Peng; Hong Meng; Wei Huang; Journal of Materials Chemistry C 5 (2017) 848–853; doi:10.1039/C6TC04323B

data_7235158
_publ_section_title
;
 Effects of a highly lipophilic substituent on the environmental stability
 of naphthalene tetracarboxylic diimide-based n-channel thin-film
 transistors
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              848
_journal_page_last               853
_journal_paper_doi               10.1039/C6TC04323B
_journal_volume                  5
_journal_year                    2017
_chemical_formula_sum            'C H F N O S'
_chemical_formula_weight         94.09
_chemical_name_systematic
;
N,N?-Bis(4-Trifluoromethylthiobenzyl)naphthalene-1,4,5,8-tetracarboxylic 
acid diimide (NTCDI--BSCF3)
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 109.415(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            15
_cell_length_a                   20.943(11)
_cell_length_b                   4.6447(17)
_cell_length_c                   14.264(7)
_cell_measurement_temperature    566(2)
_cell_volume                     1308.6(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      566(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1270
_diffrn_reflns_av_sigmaI/netI    0.0778
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7598
_diffrn_reflns_theta_full        25.27
_diffrn_reflns_theta_max         25.27
_diffrn_reflns_theta_min         1.03
_exptl_absorpt_coefficient_mu    0.742
_exptl_crystal_density_diffrn    1.791
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             705
_exptl_crystal_recrystallization_method Sublimation
_refine_diff_density_max         0.394
_refine_diff_density_min         -0.421
_refine_diff_density_rms         0.102
_refine_ls_extinction_coef       0.36(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     200
_refine_ls_number_reflns         2304
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0961
_refine_ls_R_factor_gt           0.0771
_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^)+(0.2200P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2120
_refine_ls_wR_factor_ref         0.2975
_reflns_number_gt                1618
_reflns_number_total             2304
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2017-5-848.cif
_cod_data_source_block           a
_cod_original_cell_volume        1308.7(11)
_cod_database_code               7235158