Chalcogen bond-driven self-assembly of a 4-<i>tert</i>-butylcalix[4]arene-ebselen conjugate.
Ravi, Rajkumar; Saravanan, Raju; Butcher, Ray J.; Karuthapandi, Selvakumar; Dalton transactions (Cambridge, England : 2003) 55 (2026) 4687–4699; doi:10.1039/d5dt02079d

data_7720228
_publ_section_title
;
 Chalcogen bond-driven self-assembly of a
 4-<i>tert</i>-butylcalix[4]arene-ebselen conjugate.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4687
_journal_page_last               4699
_journal_paper_doi               10.1039/d5dt02079d
_journal_volume                  55
_journal_year                    2026
_chemical_formula_moiety         'C62 H70 N2 O6 Se2'
_chemical_formula_sum            'C62 H70 N2 O6 Se2'
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_space_group_name_Hall           '-P 2ac 2ab'
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_audit_update_record
;
2026-02-11 deposited with the CCDC.	2026-02-17 downloaded from the CCDC.
;
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'CrysAlisPro system (CCD 43.91a 64-bit (release 2'
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_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
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_diffrn_source                   'micro-focus sealed X-ray tube'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.44.85 (Rigaku Oxford Diffraction, 2024)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
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_exptl_crystal_description       plate
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_refine_ls_R_factor_all          0.1068
_refine_ls_R_factor_gt           0.1008
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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^)+(0.0943P)^2^+140.4806P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2768
_refine_ls_wR_factor_ref         0.2797
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_reflns_number_gt                9610
_reflns_number_total             11015
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7720228--7720230.cif.'
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