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Information card for entry 4500517
Preview
Coordinates | 4500517.cif |
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Original paper (by DOI) | HTML |
Common name | 2,2'-dithiobisbenzoic acid |
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Chemical name | 2,2'-disulfanediyldibenzoic acid |
Formula | C7 H5 O2 S |
Calculated formula | C7 H5 O2 S |
Title of publication | Controlling Disulfide Bond Formation and Crystal Growth from 2-Mercaptobenzoic Acid |
Authors of publication | Rowland, Clare E.; Cantos, Paula M.; Toby, Brian H.; Frisch, Mark; Deschamps, Jeffrey R.; Cahill, Christopher L. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2011 |
Journal volume | 11 |
Journal issue | 4 |
Pages of publication | 1370 |
a | 16.53569 ± 0.00017 Å |
b | 12.81311 ± 0.00017 Å |
c | 20.98335 ± 0.00021 Å |
α | 90° |
β | 104.888 ± 0.0014° |
γ | 90° |
Cell volume | 4296.56 ± 0.09 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
RFsqd | 0.16296 |
Method of determination | powder diffraction |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.413541 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179536 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/05. |
4500517.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500517.cif |
34528 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500516, 4500517 via cif-deposit CGI script. |
4500517.cif |
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