Neighbouring group participation of thiol through aldehyde group assisted thiolysis of active ether: ratiometric and vapor phase fast detection of hydrogen sulfide in mixed aqueous media
Das, Avijit Kumar; Goswami, Shyamaprosad; Quah, Ching Kheng; Fun, Hoong-Kun; New J. Chem. 39 (2015) 5669–; doi:10.1039/C5NJ00689A

data_7054846
_publ_section_title
;
 Neighbouring group participation of thiol through aldehyde group assisted
 thiolysis of active ether: ratiometric and vapor phase fast detection of
 hydrogen sulfide in mixed aqueous media
;
_journal_issue                   7
_journal_name_full               'New J. Chem.'
_journal_page_first              5669
_journal_paper_doi               10.1039/C5NJ00689A
_journal_volume                  39
_journal_year                    2015
_chemical_formula_moiety         'C17 H10 N2 O6'
_chemical_formula_sum            'C17 H10 N2 O6'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2014-11-07 deposited with the CCDC.
2015-05-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
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;
Bruker SMART APEX II DUO CCD area-detector diffractometer 
;
_diffrn_measurement_method       '\f and \w scans'
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         2742
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0393
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0639P)^2^+0.2871P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1099
_refine_ls_wR_factor_ref         0.1257
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_reflns_number_gt                1997
_reflns_number_total             2742
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7054846--7054847.cif.'
_cod_database_code               7054846
_shelxl_version_number           2014-3
_shelx_res_checksum              2492