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Information card for entry 4107746
Preview
Coordinates | 4107746.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H30 N O3 |
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Calculated formula | C16 H23 N O3 |
SMILES | N12C(=O)CCC[C@@H]3[C@H]([C@@H]4OC(=O)C[C@@H]4[C@@H](CC1)[C@H]23)CC.N12C(=O)CCC[C@H]3[C@@H]([C@H]4OC(=O)C[C@H]4[C@H](CC1)[C@@H]23)CC |
Title of publication | Syntheses of the Stemona Alkaloids (\±)-Stenine, (\±)-Neostenine, and (\±)-13-Epineostenine Using a Stereodivergent Diels-Alder/Azido-Schmidt Reaction |
Authors of publication | Kevin J. Frankowski; Jennifer E. Golden; Yibin Zeng; Yao Lei; Jeffrey Aubé |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 6018 - 6024 |
a | 8.101 ± 0.004 Å |
b | 23.939 ± 0.012 Å |
c | 7.943 ± 0.004 Å |
α | 90° |
β | 103.897 ± 0.01° |
γ | 90° |
Cell volume | 1495.3 ± 1.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1136 |
Residual factor for significantly intense reflections | 0.0999 |
Weighted residual factors for significantly intense reflections | 0.2498 |
Weighted residual factors for all reflections included in the refinement | 0.2569 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
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/4107746.html
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Users of the data should acknowledge the original authors of the
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