Multi-Functional Applications of a Metal-Free Viologen Supramolecular Compound: UV Detection, Amine Sensing, and Ink-Free Printing
Li, Li; Liu, Chun-Jie; Guo, Hang-Hang; Zhang, Ning-Ning; Wang, Hong-Li; New Journal of Chemistry  (2026) –; doi:10.1039/D6NJ00792A

data_7064371
_publ_section_title
;
 Multi-functional applications of a metal-free viologen supramolecular
 compound: UV detection, amine sensing, and ink-free printing
;
_journal_issue                   16
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              6898
_journal_page_last               6903
_journal_paper_doi               10.1039/D6NJ00792A
_journal_volume                  50
_journal_year                    2026
_chemical_formula_moiety         'C10 H5 O8, C24 H18 N2 O2, H2 O'
_chemical_formula_sum            'C34 H25 N2 O11'
_chemical_formula_weight         637.56
_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   mixed
_audit_creation_method           SHELXL-2016/4
_audit_update_record
;
2026-04-02 deposited with the CCDC.	2026-04-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.524(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.9821(6)
_cell_length_b                   9.5637(6)
_cell_length_c                   30.9166(19)
_cell_measurement_reflns_used    9256
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      24.44
_cell_measurement_theta_min      2.38
_cell_volume                     2948.6(3)
_computing_data_collection       'Bruker APEX2'
_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0986
_diffrn_reflns_av_unetI/netI     0.0546
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            45221
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.078
_diffrn_reflns_theta_max         25.078
_diffrn_reflns_theta_min         2.229
_exptl_absorpt_coefficient_mu    0.109
_exptl_absorpt_correction_T_max  0.989
_exptl_absorpt_correction_T_min  0.989
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1518 before and 0.1188 after correction.
The Ratio of minimum to maximum transmission is 0.8842.
The \l/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_description       block
_exptl_crystal_F_000             1324
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.471
_refine_diff_density_min         -0.458
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     483
_refine_ls_number_reflns         5247
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.1091
_refine_ls_R_factor_gt           0.0929
_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^)+(0.1052P)^2^+4.3290P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2344
_refine_ls_wR_factor_ref         0.2443
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4141
_reflns_number_total             5247
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d6nj00792a2.cif
_cod_data_source_block           z6
_cod_depositor_comments          'Adding full bibliography for 7064371.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7064371
_shelx_shelxl_version_number     2016/4
_shelx_estimated_absorpt_t_min   0.989
_shelx_estimated_absorpt_t_max   0.989
_shelx_res_checksum              96590