Stable nonaromatic [20]dithiaporphyrin (2.1.1.1) macrocycles: synthesis, structure, spectral, electrochemical, and metal ion sensing studies.
Ganapathi, Emandi; Lee, Way-Zen; Ravikanth, Mangalampalli; The Journal of organic chemistry 79 (2014) 9603–9612; doi:10.1021/jo501724d

data_4029978
_publ_section_title
;
 Stable nonaromatic [20]dithiaporphyrin (2.1.1.1) macrocycles: synthesis,
 structure, spectral, electrochemical, and metal ion sensing studies.
;
_journal_issue                   20
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              9603
_journal_page_last               9612
_journal_paper_doi               10.1021/jo501724d
_journal_volume                  79
_journal_year                    2014
_chemical_formula_moiety         'C44 H36 N2 O2 S2'
_chemical_formula_sum            'C44 H36 N2 O2 S2'
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_chemical_name_systematic
;
 ?
;
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_cell_angle_beta                 74.147(6)
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_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
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_diffrn_measured_fraction_theta_max 0.991
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_exptl_crystal_colour            blue(dark)
_exptl_crystal_density_diffrn    1.302
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'calc w=1/[\s^2^(Fo^2^)+(0.0968P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 4029978--4029979.cif.'
_cod_database_code               4029978