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Information card for entry 1547855
Preview
Coordinates | 1547855.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (-)-19-Oxoeburnamonine |
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Formula | C19 H20 N2 O2 |
Calculated formula | C19 H20 N2 O2 |
SMILES | c12c3CCN4CCC[C@](CC(=O)n2c2c3cccc2)(C(=O)C)[C@@H]14 |
Title of publication | Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia. |
Authors of publication | Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok |
Journal of publication | Journal of natural products |
Year of publication | 2017 |
Journal volume | 80 |
Journal issue | 11 |
Pages of publication | 3014 - 3024 |
a | 12.53164 ± 0.00019 Å |
b | 12.8094 ± 0.0002 Å |
c | 19.2522 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3090.42 ± 0.08 Å3 |
Cell temperature | 144 ± 1 K |
Ambient diffraction temperature | 144 ± 1 K |
Number of distinct elements | 4 |
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 | 0.0321 |
Residual factor for significantly intense reflections | 0.0304 |
Weighted residual factors for significantly intense reflections | 0.0745 |
Weighted residual factors for all reflections included in the refinement | 0.076 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1547855.html
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Users of the data should acknowledge the original authors of the
structural data.