Dual fluorescence switching of a Rhodamine 6G-naphthalimide conjugate with high contrast in the solid state
Tan, Lina; Mo, Shenzhong; Fang, Bing; Cheng, Wenyu; Yin, Meizhen; Journal of Materials Chemistry C 6 (2018) 10270–; doi:10.1039/C8TC03654C

data_7237489
_publ_section_title
;
 Dual fluorescence switching of a Rhodamine 6G-naphthalimide conjugate
 with high contrast in the solid state
;
_journal_issue                   38
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              10270
_journal_paper_doi               10.1039/C8TC03654C
_journal_volume                  6
_journal_year                    2018
_chemical_formula_sum            'C64 H68 N8 O10'
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_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
;
2018-03-21 deposited with the CCDC.
2018-08-28 downloaded from the CCDC.
;
_cell_angle_alpha                79.448(3)
_cell_angle_beta                 89.517(3)
_cell_angle_gamma                81.176(3)
_cell_formula_units_Z            2
_cell_length_a                   9.8516(4)
_cell_length_b                   13.4117(5)
_cell_length_c                   21.7010(9)
_cell_measurement_temperature    107(2)
_cell_volume                     2784.9(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      107(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0266
_diffrn_reflns_av_sigmaI/netI    0.0418
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            23853
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    0.091
_exptl_absorpt_correction_T_max  0.9777
_exptl_absorpt_correction_T_min  0.9699
_exptl_crystal_density_diffrn    1.323
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.045
_refine_diff_density_min         -0.992
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     762
_refine_ls_number_reflns         10916
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0714
_refine_ls_R_factor_gt           0.0556
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0447P)^2^+2.4835P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1210
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8tc03654c2.cif
_cod_data_source_block           exp_5279
_cod_original_cell_volume        2784.85(19)
_cod_database_code               7237489