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Information card for entry 4108371
Preview
Coordinates | 4108371.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H43 N O S4 Si W |
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Calculated formula | C30 H43 N O S4 Si W |
SMILES | [W]1(Sc2c(S1)cccc2)(=S)(=S)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.[N+](CC)(CC)(CC)CC |
Title of publication | A Biomimetic Approach to Oxidized Sites in the Xanthine Oxidoreductase Family: Synthesis and Stereochemistry of Tungsten(VI) Analogue Complexes |
Authors of publication | Stanislav Groysman; Jun-Jieh Wang; Ranitendranath Tagore; Sonny C. Lee; Richard H. Holm |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 12794 - 12807 |
a | 10.1752 ± 0.0008 Å |
b | 16.6951 ± 0.0012 Å |
c | 21.7024 ± 0.0015 Å |
α | 110.262 ± 0.001° |
β | 100.372 ± 0.002° |
γ | 91.711 ± 0.001° |
Cell volume | 3385 ± 0.4 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0592 |
Residual factor for significantly intense reflections | 0.0409 |
Weighted residual factors for significantly intense reflections | 0.0938 |
Weighted residual factors for all reflections included in the refinement | 0.1055 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
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/4108371.html
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Users of the data should acknowledge the original authors of the
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