An erasable photo-patterning material based on a specially designed 4-(1,2,2-triphenylvinyl)aniline salicylaldehyde hydrazone aggregation-induced emission (AIE) molecule
Lili Wang; Yuanyuan Li; Xuejiao You; Kui Xu; Qi Feng; Jinmin Wang; Yuanyuan Liu; Kai Li; Hongwei Hou; Journal of Materials Chemistry C 5 (2017) 65–72; doi:10.1039/C6TC03791G

data_7235141
_publ_section_title
;
 An erasable photo-patterning material based on a specially designed
 4-(1,2,2-triphenylvinyl)aniline salicylaldehyde hydrazone
 aggregation-induced emission (AIE) molecule
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              65
_journal_page_last               72
_journal_paper_doi               10.1039/C6TC03791G
_journal_volume                  5
_journal_year                    2017
_chemical_formula_sum            'C33 H25 N O'
_chemical_formula_weight         451.54
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/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                 121.942(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   56.337(8)
_cell_length_b                   5.7057(9)
_cell_length_c                   36.189(5)
_cell_measurement_reflns_used    6735
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.02
_cell_measurement_theta_min      2.74
_cell_volume                     9871(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0538
_diffrn_reflns_av_sigmaI/netI    0.0470
_diffrn_reflns_limit_h_max       56
_diffrn_reflns_limit_h_min       -65
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            34177
_diffrn_reflns_theta_full        65.00
_diffrn_reflns_theta_max         65.00
_diffrn_reflns_theta_min         2.46
_exptl_absorpt_coefficient_mu    0.561
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.215
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Strip
_exptl_crystal_F_000             3808
_refine_diff_density_max         0.875
_refine_diff_density_min         -0.486
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         8190
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.1181
_refine_ls_R_factor_gt           0.1002
_refine_ls_shift/su_max          0.102
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0744P)^2^+37.2850P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2446
_refine_ls_wR_factor_ref         0.2539
_reflns_number_gt                6480
_reflns_number_total             8190
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2017-5-65.cif
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        9871(2)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7235141