Supramolecular interactions induced fluorescent organic nanowires with high quantum yield based on 9,10-distyrylanthracene
Dong, Yujie; Xu, Bin; Zhang, Jibo; Lu, Hongguang; Wen, Shanpeng; Chen, Feipeng; He, Jiating; Li, Bao; Ye, Ling; Tian, Wenjing; CrystEngComm 14 (2012) 6593–; doi:10.1039/c2ce25276g

data_7214756
_publ_section_title
;
 Supramolecular interactions induced fluorescent organic nanowires with
 high quantum yield based on 9,10-distyrylanthracene
;
_journal_issue                   20
_journal_name_full               CrystEngComm
_journal_page_first              6593
_journal_paper_doi               10.1039/c2ce25276g
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C30 H18 F4'
_chemical_formula_sum            'C30 H18 F4'
_chemical_formula_weight         454.44
_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                78.74(3)
_cell_angle_beta                 86.02(3)
_cell_angle_gamma                84.26(3)
_cell_formula_units_Z            1
_cell_length_a                   4.0152(8)
_cell_length_b                   9.821(2)
_cell_length_c                   13.736(3)
_cell_measurement_temperature    293(2)
_cell_volume                     527.9(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.958
_diffrn_measured_fraction_theta_max 0.935
_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  0.0468
_diffrn_reflns_av_sigmaI/netI    0.0609
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            4984
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    0.107
_exptl_absorpt_correction_T_max  0.9905
_exptl_absorpt_correction_T_min  0.9318
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.430
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             234
_exptl_crystal_size_max          0.67
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.190
_refine_diff_density_min         -0.183
_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     154
_refine_ls_number_reflns         2276
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.1147
_refine_ls_R_factor_gt           0.0610
_refine_ls_shift/su_max          0.046
_refine_ls_shift/su_mean         0.014
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0874P)^2^+0.0193P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1623
_refine_ls_wR_factor_ref         0.1885
_reflns_number_gt                1296
_reflns_number_total             2276
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce25276g.txt
_cod_data_source_block           dyj-7
_cod_original_cell_volume        527.88(18)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7214756