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Information card for entry 7159997
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Coordinates | 7159997.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | GS-7s-Li |
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Formula | C12 H22 O2 |
Calculated formula | C12 H22 O2 |
Title of publication | Enantioselective synthesis of all stereoisomers of geosmin and of biosynthetically related natural products. |
Authors of publication | Yin, Zhiyong; Maczka, Michael; Schnakenburg, Gregor; Schulz, Stefan; Dickschat, Jeroen S. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2024 |
Journal volume | 22 |
Journal issue | 28 |
Pages of publication | 5748 - 5758 |
a | 6.3202 ± 0.0003 Å |
b | 11.5648 ± 0.0005 Å |
c | 15.4255 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1127.48 ± 0.1 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0473 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.0911 |
Weighted residual factors for all reflections included in the refinement | 0.0958 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 1.54186 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7159997.html
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Users of the data should acknowledge the original authors of the
structural data.