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_7250793
_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         'C43 H30 N2'
_chemical_formula_sum            'C43 H30 N2'
_chemical_formula_weight         574.69
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 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                 112.5660(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.8775(2)
_cell_length_b                   28.0037(6)
_cell_length_c                   11.8519(2)
_cell_measurement_reflns_used    129164
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      1
_cell_volume                     3027.32(11)
_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 0.997
_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  0.0723
_diffrn_reflns_av_unetI/netI     0.0208
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            127701
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.298
_diffrn_reflns_theta_min         2.293
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.073
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.7155
_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    1.261
_exptl_crystal_description       block
_exptl_crystal_F_000             1208
_exptl_crystal_size_max          0.254
_exptl_crystal_size_mid          0.217
_exptl_crystal_size_min          0.084
_refine_diff_density_max         0.306
_refine_diff_density_min         -0.244
_refine_diff_density_rms         0.041
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     419
_refine_ls_number_reflns         7510
_refine_ls_number_restraints     429
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0573
_refine_ls_R_factor_gt           0.0459
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0603P)^2^+0.9992P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1177
_refine_ls_wR_factor_ref         0.1267
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6148
_reflns_number_total             7510
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5ra05109f2.cif
_cod_data_source_block           DV-bPPI(2)
_cod_original_cell_volume        3027.32(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7250793
_shelx_shelxl_version_number     2019/1
_shelx_estimated_absorpt_t_min   0.982
_shelx_estimated_absorpt_t_max   0.994
_exptl_absorpt_special_details
;
The ratio of minimum to maximum
apparent transmission was 0.960
;
_shelx_res_checksum              70062