A diethylaminophenol functionalized Schiff base: crystallization-induced emission-enhancement, switchable fluorescence and application for security printing and data storage
Tianyu Han; Xiao Feng; Didi Chen; Yuping Dong; Journal of Materials Chemistry C 3 (2015) 7446–7454; doi:10.1039/C5TC00891C

data_7234299
_publ_section_title
;
 A diethylaminophenol functionalized Schiff base: crystallization-induced
 emission-enhancement, switchable fluorescence and application for
 security printing and data storage
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              7446
_journal_page_last               7454
_journal_paper_doi               10.1039/C5TC00891C
_journal_volume                  3
_journal_year                    2015
_chemical_formula_sum            'C21 H24 N2 O5'
_chemical_formula_weight         384.43
_chemical_name_common            SBOH
_chemical_name_systematic
'(E)-dimethyl 5-((4-(diethylamino)-2-hydroxybenzylidene)amino)isophthalate'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 105.00(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.000(2)
_cell_length_b                   28.000(6)
_cell_length_c                   7.0000(14)
_cell_measurement_temperature    293(2)
_cell_volume                     1893.2(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_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  0.0479
_diffrn_reflns_av_sigmaI/netI    0.0479
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            21621
_diffrn_reflns_theta_full        31.67
_diffrn_reflns_theta_max         31.67
_diffrn_reflns_theta_min         2.56
_exptl_absorpt_coefficient_mu    0.129
_exptl_crystal_colour            'yellow '
_exptl_crystal_density_diffrn    1.434
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             836
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: tetrahydrofuran and ethanol '
_refine_diff_density_max         0.347
_refine_diff_density_min         -0.298
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.775
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     258
_refine_ls_number_reflns         6170
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.775
_refine_ls_R_factor_all          0.0789
_refine_ls_R_factor_gt           0.0640
_refine_ls_shift/su_max          0.365
_refine_ls_shift/su_mean         0.073
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0976P)^2^+2.8638P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1569
_refine_ls_wR_factor_ref         0.1728
_reflns_number_gt                5224
_reflns_number_total             6170
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2015-3-7446.cif
_cod_data_source_block           s5-2
_cod_depositor_comments
;

2025-01-30
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C H N O'
_cod_original_formula_weight         43.03
_cod_original_formula_units_Z            38
_cod_database_code               7234299