Star-shaped hexakis(9,9-dihexyl-9H-fluoren-2-yl)benzene end-capped with carbazole and diphenylamine units: solution-processable, high Tg hole-transporting materials for organic light-emitting devices
Zou, Yang; Ye, Tengling; Ma, Dongge; Qin, Jingui; Yang, Chuluo; Journal of Materials Chemistry 22 (2012) 23485–; doi:10.1039/c2jm35618j

data_7215111
_publ_section_title
;
 Star-shaped hexakis(9,9-dihexyl-9H-fluoren-2-yl)benzene end-capped with
 carbazole and diphenylamine units: solution-processable, high Tg
 hole-transporting materials for organic light-emitting devices
;
_journal_issue                   44
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              23485
_journal_paper_doi               10.1039/c2jm35618j
_journal_volume                  22
_journal_year                    2012
_chemical_formula_sum            'C256 H284 N6'
_chemical_formula_weight         3444.89
_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_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.516(2)
_cell_angle_beta                 95.702(2)
_cell_angle_gamma                104.294(2)
_cell_formula_units_Z            1
_cell_length_a                   17.370(2)
_cell_length_b                   17.5261(19)
_cell_length_c                   19.152(2)
_cell_measurement_temperature    273(2)
_cell_volume                     5138.3(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0555
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            45537
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.24
_exptl_absorpt_coefficient_mu    0.063
_exptl_absorpt_correction_T_max  0.9906
_exptl_absorpt_correction_T_min  0.9850
_exptl_crystal_density_diffrn    1.113
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1862
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.448
_refine_diff_density_min         -1.183
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.551
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1164
_refine_ls_number_reflns         24501
_refine_ls_number_restraints     168
_refine_ls_restrained_S_all      1.599
_refine_ls_R_factor_all          0.1729
_refine_ls_R_factor_gt           0.1317
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3724
_refine_ls_wR_factor_ref         0.4097
_reflns_number_gt                15909
_reflns_number_total             24501
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2jm35618j.txt
_cod_data_source_block           mo_120106k_0m
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7215111