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Information card for entry 7707259
Preview
Coordinates | 7707259.cif |
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Original paper (by DOI) | HTML |
Chemical name | O-acetylsinigrin |
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Formula | C18 H24 K N O13 S2 |
Calculated formula | C18 H24 K N O13 S2 |
Title of publication | Complex formation of silver(I) ions with a glucosinolate derivative: structural and mechanistic insights into myrosinase-mimicking C-S bond cleavage. |
Authors of publication | Alba, Laurenzo D. V.; Hatanaka, Tsubasa; Franco, Francisco C.; Nojiri, Masaki; Noel, Marissa G.; Funahashi, Yasuhiro |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 24 |
Pages of publication | 8292 - 8296 |
a | 9.0195 ± 0.0002 Å |
b | 12.3261 ± 0.0004 Å |
c | 12.5871 ± 0.0003 Å |
α | 101.321 ± 0.002° |
β | 110.969 ± 0.002° |
γ | 97.225 ± 0.002° |
Cell volume | 1251.57 ± 0.06 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0585 |
Residual factor for significantly intense reflections | 0.0441 |
Weighted residual factors for significantly intense reflections | 0.0993 |
Weighted residual factors for all reflections included in the refinement | 0.1049 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7707259.html
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