A processable, scalable, and stable full-color ultralong afterglow system based on heteroatom-free hydrocarbon doped polymers.
Zheng, Xiaoxin; Han, Quanxiang; Lin, Qinglian; Li, Cuicui; Jiang, Jinke; Guo, Qing; Ye, Xin; Yuan, Wang Zhang; Liu, Yang; Tao, Xutang; Materials horizons 10 (2023) 197–208; doi:10.1039/d2mh00998f

data_1567831
_publ_section_title
;
 A processable, scalable, and stable full-color ultralong afterglow system
 based on heteroatom-free hydrocarbon doped polymers.
;
_journal_issue                   1
_journal_name_full               'Materials horizons'
_journal_page_first              197
_journal_page_last               208
_journal_paper_doi               10.1039/d2mh00998f
_journal_volume                  10
_journal_year                    2023
_chemical_formula_moiety         'C27 H18'
_chemical_formula_sum            'C27 H18'
_chemical_formula_weight         342.41
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2022-08-12 deposited with the CCDC.	2022-10-21 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 92.476(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   4.8045(4)
_cell_length_b                   15.5425(15)
_cell_length_c                   23.249(2)
_cell_measurement_reflns_used    4321
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      68.2446
_cell_measurement_theta_min      3.4215
_cell_volume                     1734.5(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      300(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0865
_diffrn_reflns_av_sigmaI/netI    0.0739
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            12727
_diffrn_reflns_theta_full        68.35
_diffrn_reflns_theta_max         68.35
_diffrn_reflns_theta_min         3.42
_diffrn_standards_decay_%        '? '
_diffrn_standards_interval_count '? '
_diffrn_standards_interval_time  '? '
_diffrn_standards_number         '? '
_exptl_absorpt_coefficient_mu    0.563
_exptl_absorpt_correction_T_max  0.946
_exptl_absorpt_correction_T_min  0.935
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.415
_refine_diff_density_min         -0.296
_refine_diff_density_rms         0.075
_refine_ls_extinction_coef       0.030(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         3100
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.1179
_refine_ls_R_factor_gt           0.0960
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1411P)^2^+1.8121P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2701
_refine_ls_wR_factor_ref         0.2875
_reflns_number_gt                2216
_reflns_number_total             3100
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d2mh00998f20.cif
_cod_data_source_block           cu_zhengxx20210913_0m_a
_cod_depositor_comments          'Adding full bibliography for 1567831.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1567831