Photoluminescent phenanthroimidazole derivatives as covalently linked UV stabilizers for latex coatings
Loghina, Liudmila; Machotova, Jana; Svoboda, Roman; Houdek, Jakub; Kohl, Miroslav; Ruzickova, Zdena; Jambor, Roman; Vlcek, Miroslav; RSC Advances 15 (2025) 28827–28840; doi:10.1039/D5RA05109F

data_7250794
_publ_section_title
;
 Photoluminescent phenanthroimidazole derivatives as covalently linked UV
 stabilizers for latex coatings
;
_journal_issue                   35
_journal_name_full               'RSC Advances'
_journal_page_first              28827
_journal_page_last               28840
_journal_paper_doi               10.1039/D5RA05109F
_journal_volume                  15
_journal_year                    2025
_chemical_formula_moiety         'C31 H22 N2'
_chemical_formula_sum            'C31 H22 N2'
_chemical_formula_weight         422.50
_space_group_crystal_system      monoclinic
_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
_audit_creation_method           'APEX4 v2021.10-0'
_audit_update_record
;
2025-01-03 deposited with the CCDC.	2025-08-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.2670(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.7069(2)
_cell_length_b                   10.1507(2)
_cell_length_c                   22.4590(6)
_cell_measurement_reflns_used    73310
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      1
_cell_volume                     2184.04(9)
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       '\f and \w scans to fill the Ewald sphere'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0921
_diffrn_reflns_av_unetI/netI     0.0314
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            71336
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.300
_diffrn_reflns_theta_min         2.207
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.075
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.7041
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.285
_exptl_crystal_description       plate
_exptl_crystal_F_000             888
_exptl_crystal_size_max          0.205
_exptl_crystal_size_mid          0.161
_exptl_crystal_size_min          0.054
_refine_diff_density_max         0.228
_refine_diff_density_min         -0.245
_refine_diff_density_rms         0.046
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         5417
_refine_ls_number_restraints     279
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0621
_refine_ls_R_factor_gt           0.0437
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0650P)^2^+0.4552P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1112
_refine_ls_wR_factor_ref         0.1261
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4087
_reflns_number_total             5417
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5ra05109f2.cif
_cod_data_source_block           DV-PPI(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7250794
_shelx_shelxl_version_number     2019/1
_shelx_estimated_absorpt_t_min   0.985
_shelx_estimated_absorpt_t_max   0.996
_exptl_absorpt_special_details
;
The ratio of minimum to maximum
apparent transmission was 0.944
;
_shelx_res_checksum              25815