2D hydrogen-bonded organic frameworks: in-site generation and subsequent exfoliation.
Luo, Yang-Hui; Zhang, Lan; Fang, Wen-Xia; Ma, Shu-Hua; Dong, Hui; Su, Shan; Zheng, Zi-Yue; Li, Di-Ning; Zhai, Li-Hai; Chemical communications (Cambridge, England) 57 (2021) 5901–5904; doi:10.1039/d1cc01626a

data_7128302
_publ_section_title
;
 2D hydrogen-bonded organic frameworks: in-site generation and subsequent
 exfoliation.
;
_journal_issue                   48
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5901
_journal_page_last               5904
_journal_paper_doi               10.1039/d1cc01626a
_journal_volume                  57
_journal_year                    2021
_chemical_formula_sum            'C54 H48 N6 O10'
_chemical_formula_weight         940.98
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_space_group_name_Hall           '-C 2y'
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_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2021-04-29 deposited with the CCDC.	2021-05-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.389(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
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_cell_length_b                   17.9179(12)
_cell_length_c                   11.5204(7)
_cell_measurement_temperature    293(2)
_cell_volume                     2760.0(3)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.951
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0274
_diffrn_reflns_av_unetI/netI     0.0154
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12342
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.961
_diffrn_reflns_theta_min         3.901
_exptl_absorpt_coefficient_mu    0.650
_exptl_crystal_density_diffrn    1.132
_exptl_crystal_F_000             988
_refine_diff_density_max         1.706
_refine_diff_density_min         -0.704
_refine_diff_density_rms         0.223
_refine_ls_extinction_coef       0.007(2)
_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   2.212
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     176
_refine_ls_number_reflns         2881
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      2.212
_refine_ls_R_factor_all          0.1647
_refine_ls_R_factor_gt           0.1565
_refine_ls_shift/su_max          2.362
_refine_ls_shift/su_mean         0.050
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4304
_refine_ls_wR_factor_ref         0.4569
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2454
_reflns_number_total             2881
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1cc01626a2.cif
_cod_data_source_block           SEU-1
_cod_depositor_comments
'Adding full bibliography for 7128302--7128303.cif.'
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               7128302
_shelxl_version_number           2014-3
_shelx_res_checksum              31723