A series of triphenylamine-based two-photon absorbing materials with AIE property for biological imaging
Liu, Yanqiu; Kong, Ming; Zhang, Qiong; Zhang, Zhiwen; Zhou, Hongping; Zhang, Shengyi; Li, Shengli; Wu, Jieying; Tian, Yupeng; J. Mater. Chem. B 2 (2014) 5430–; doi:10.1039/C4TB00464G

data_7235871
_publ_section_title
;
 A series of triphenylamine-based two-photon absorbing materials with AIE
 property for biological imaging
;
_journal_issue                   33
_journal_name_full               'J. Mater. Chem. B'
_journal_page_first              5430
_journal_paper_doi               10.1039/C4TB00464G
_journal_volume                  2
_journal_year                    2014
_chemical_formula_sum            'C62 H54 N6 O8'
_chemical_formula_weight         1011.11
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        '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                85.623(5)
_cell_angle_beta                 74.828(5)
_cell_angle_gamma                87.564(5)
_cell_formula_units_Z            2
_cell_length_a                   11.899(5)
_cell_length_b                   12.656(5)
_cell_length_c                   18.797(5)
_cell_measurement_temperature    291(2)
_cell_volume                     2723.3(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0484
_diffrn_reflns_av_sigmaI/netI    0.0748
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            18736
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    0.083
_exptl_absorpt_correction_T_max  0.9837
_exptl_absorpt_correction_T_min  0.9757
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.237
_refine_diff_density_min         -0.235
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     728
_refine_ls_number_reflns         9352
_refine_ls_number_restraints     148
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.1274
_refine_ls_R_factor_gt           0.0764
_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^)+(0.1468P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2228
_refine_ls_wR_factor_ref         0.2640
_reflns_number_gt                5061
_reflns_number_total             9352
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4tb00464g3.cif
_cod_data_source_block           1
_cod_database_code               7235871