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Information card for entry 1505437
Preview
Coordinates | 1505437.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (R)-6-((S)-2,4-Dihydroxy-butyl)-piperidin-2-one |
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Formula | C9 H17 N O3 |
Calculated formula | C9 H17 N O3 |
SMILES | O=C1N[C@H](CCC1)C[C@@H](O)CCO.O=C1N[C@@H](CCC1)C[C@H](O)CCO |
Title of publication | Cyclopentanone ring expansion leading to functionalized delta-lactams: short synthesis of simple sedum alkaloids. |
Authors of publication | Maio, William A.; Sinishtaj, Sandra; Posner, Gary H. |
Journal of publication | Organic letters |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 14 |
Pages of publication | 2673 - 2676 |
a | 5.1268 ± 0.0003 Å |
b | 27.0317 ± 0.0012 Å |
c | 7.1313 ± 0.0003 Å |
α | 90° |
β | 109.3 ± 0.006° |
γ | 90° |
Cell volume | 932.76 ± 0.09 Å3 |
Ambient diffraction temperature | 110 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0819 |
Residual factor for significantly intense reflections | 0.0565 |
Weighted residual factors for significantly intense reflections | 0.0954 |
Weighted residual factors for all reflections included in the refinement | 0.1055 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1505437.html
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