Facile and scalable synthesis of high-quality three-dimensional imine-linked covalent organic frameworks <i>via</i> crystalline intermediate transformation.
Liu, Jiaqiang; Su, Xin; Xu, Yan; Tang, Weiwei; Yang, Taimin; Gong, Junbo; Chemical science 16 (2025) 15037–15044; doi:10.1039/d5sc04741b

data_1575089
_publ_section_title
;
 Facile and scalable synthesis of high-quality three-dimensional
 imine-linked covalent organic frameworks <i>via</i> crystalline
 intermediate transformation.
;
_journal_issue                   33
_journal_name_full               'Chemical science'
_journal_page_first              15037
_journal_page_last               15044
_journal_paper_doi               10.1039/d5sc04741b
_journal_volume                  16
_journal_year                    2025
_chemical_formula_sum            'C228 H128 N16 O16'
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_audit_update_record
;
2024-10-09 deposited with the CCDC.	2025-07-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
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_diffrn_reflns_av_unetI/netI     0.1725
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_diffrn_reflns_theta_max         0.597
_diffrn_reflns_theta_min         0.046
_exptl_absorpt_coefficient_mu    0.000
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_exptl_crystal_F_000             707
_refine_diff_density_max         0.212
_refine_diff_density_min         -0.302
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_refine_ls_extinction_coef       96(48)
_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)'
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     67
_refine_ls_number_reflns         1489
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.3152
_refine_ls_R_factor_gt           0.2696
_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^)+(0.4059P)^2^+6.4200P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.6413
_refine_ls_wR_factor_ref         0.6590
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1216
_reflns_number_total             1489
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5sc04741b2.cif
_cod_data_source_block           shelx_a_CCDC1
_cod_depositor_comments
'Adding full bibliography for 1575088--1575089.cif.'
_cod_original_cell_volume        4834.2
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               1575089
_shelx_shelxl_version_number     2018/3
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