Effective hydrogen isotope separation by a robust flexible calix[4]resorcinarene-based porous organic cage.
Guo, Yanan; Feng, Jiajun; Wang, Wenjing; Su, Kongzhao; Yuan, Daqiang; Dalton transactions (Cambridge, England : 2003) 55 (2026) 2030–2035; doi:10.1039/d5dt02805a

data_7720424
_publ_section_title
;
 Effective hydrogen isotope separation by a robust flexible
 calix[4]resorcinarene-based porous organic cage.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2030
_journal_page_last               2035
_journal_paper_doi               10.1039/d5dt02805a
_journal_volume                  55
_journal_year                    2026
_chemical_formula_sum            'C360 H452 N24 O48'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2025-10-29 deposited with the CCDC.	2026-01-07 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.943
_diffrn_measurement_device_type  'SuperNova (Cu) X-ray Source'
_diffrn_measurement_method       '\w scans'
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_diffrn_reflns_theta_min         1.941
_diffrn_source                   'micro-focus sealed X-ray tube'
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_exptl_absorpt_correction_type   multi-scan
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_refine_ls_shift/su_mean         0.000
_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
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_reflns_number_gt                15668
_reflns_number_total             34253
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt02805a2.cif
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_cod_original_cell_volume        39196.1(17)
_cod_original_sg_symbol_H-M      'P 4/n'
_cod_database_code               7720424
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_shelx_res_checksum              16742
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