Key role of oxygen and base in catalytic thioetherification: access to sulfur bridged poly-aromatic hydrocarbons.
Nag, Bedabara; Kumar, Akshai; Chemical communications (Cambridge, England) 61 (2025) 18120–18123; doi:10.1039/d5cc04903b

data_7135079
_publ_section_title
;
 Key role of oxygen and base in catalytic thioetherification: access to
 sulfur bridged poly-aromatic hydrocarbons.
;
_journal_issue                   92
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              18120
_journal_page_last               18123
_journal_paper_doi               10.1039/d5cc04903b
_journal_volume                  61
_journal_year                    2025
_chemical_formula_sum            'C26 H16 Br2 S2'
_chemical_formula_weight         552.33
_chemical_name_common
'(2,6-dibromoantracence- 9,10-diyl)bis-(phenylsulfane)'
_chemical_name_systematic
'(2,6-dibromoantracence- 9,10-diyl)bis-(phenylsulfane)'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
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_audit_update_record
;
2025-05-13 deposited with the CCDC.	2025-10-09 downloaded from the CCDC.
;
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_diffrn_reflns_theta_min         1.872
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_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_description       needle
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_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: DCM'
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         1943
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.120
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_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^)+(0.0305P)^2^+2.6005P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                1510
_reflns_number_total             1943
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7135077--7135079.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
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