An ideal platform of light-emitting materials from phenothiazine: facile preparation, tunable red/NIR fluorescence, bent geometry-promoted AIE behaviour and selective lipid-droplet (LD) tracking ability
Gong, Junyi; Han, Jinliang; Liu, Qian; Ren, Xiaojie; Wei, Peifa; Yang, Lei; Zhang, Yun; Liu, Jing; Dong, Yongqiang; Wang, Yangang; Song, Xiangzhi; Tang, Ben Zhong; Journal of Materials Chemistry C 7 (2019) 4185–; doi:10.1039/C9TC00143C

data_7237707
_publ_section_title
;
 An ideal platform of light-emitting materials from phenothiazine: facile
 preparation, tunable red/NIR fluorescence, bent geometry-promoted AIE
 behaviour and selective lipid-droplet (LD) tracking ability
;
_journal_issue                   14
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              4185
_journal_paper_doi               10.1039/C9TC00143C
_journal_volume                  7
_journal_year                    2019
_chemical_formula_sum            'C26 H21 N3 S2'
_chemical_formula_weight         439.58
_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
_audit_update_record
;
2018-12-01 deposited with the CCDC.	2019-03-04 downloaded from the CCDC.
;
_cell_angle_alpha                74.414(2)
_cell_angle_beta                 87.622(2)
_cell_angle_gamma                77.369(2)
_cell_formula_units_Z            2
_cell_length_a                   7.5690(2)
_cell_length_b                   9.6729(3)
_cell_length_c                   16.0008(5)
_cell_measurement_temperature    296(2)
_cell_volume                     1100.91(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_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  0.0173
_diffrn_reflns_av_sigmaI/netI    0.0350
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8972
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    0.261
_exptl_crystal_density_diffrn    1.326
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             460
_refine_diff_density_max         1.201
_refine_diff_density_min         -0.788
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4904
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.1196
_refine_ls_R_factor_gt           0.0864
_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^)+(0.1814P)^2^+0.9547P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2536
_refine_ls_wR_factor_ref         0.2899
_reflns_number_gt                3321
_reflns_number_total             4904
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9tc00143c2.cif
_cod_data_source_block           songxz1_0m
_cod_database_code               7237707