Novel Palmatine Hydrochloride-Phenolic Acid Cocrystals: Effects of Different Phenolic Acids on Hygroscopicity Improvement and Antibacterial Activity Enhancement
Zhu, Xin-Ru; Li, Ze; Sun, Dan; Elmidaoui, Roudaina; Dai, Meng-Xuan; Zhao, Zhilong; Chen, Xiang-Zhu; Fei, Jiang; Liu, Lu; New Journal of Chemistry  (2026) –; doi:10.1039/D5NJ04579G

data_7064366
_publ_section_title
;
 Novel palmatine hydrochloride--phenolic acid cocrystals: effects of
 different phenolic acids on hygroscopicity improvement and antibacterial
 activity enhancement
;
_journal_issue                   18
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              7647
_journal_page_last               7657
_journal_paper_doi               10.1039/D5NJ04579G
_journal_volume                  50
_journal_year                    2026
_chemical_formula_sum            'C25 H29 Cl N O7.5'
_chemical_formula_weight         498.94
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-07-17 deposited with the CCDC.	2026-04-02 downloaded from the CCDC.
;
_cell_angle_alpha                104.598(2)
_cell_angle_beta                 92.940(2)
_cell_angle_gamma                93.154(2)
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_cell_length_b                   15.0725(11)
_cell_length_c                   15.0474(11)
_cell_measurement_reflns_used    2953
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      22.13
_cell_measurement_theta_min      2.42
_cell_volume                     2382.4(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
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_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.1119
_diffrn_reflns_av_unetI/netI     0.1506
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       12
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_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.067
_diffrn_reflns_theta_max         25.067
_diffrn_reflns_theta_min         2.417
_exptl_absorpt_coefficient_mu    0.209
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6586
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            Colourless
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_exptl_crystal_description       Bloc
_exptl_crystal_F_000             1052
_exptl_crystal_size_max          0.12
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_exptl_crystal_size_min          0.08
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.2312
_refine_ls_R_factor_gt           0.0888
_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^)+(0.0841P)^2^+2.9520P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1773
_refine_ls_wR_factor_ref         0.2455
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3417
_reflns_number_total             8343
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5nj04579g2.cif
_cod_data_source_block           z
_cod_depositor_comments
'Adding full bibliography for 7064365--7064366.cif.'
_cod_original_formula_sum        'C25 H29 Cl N O7.50'
_cod_database_code               7064366
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              25075