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Information card for entry 1547853
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Coordinates | 1547853.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (-)-Eburnamine |
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Formula | C19.5 H27 N2 O2 |
Calculated formula | C19.5 H27 N2 O2 |
SMILES | n12c3c(c4c1cccc4)CCN1CCC[C@@](C[C@H]2O)(CC)[C@H]31.O.OC |
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 | 9.0112 ± 0.0003 Å |
b | 9.8045 ± 0.0005 Å |
c | 10.2163 ± 0.0004 Å |
α | 89.964 ± 0.003° |
β | 78.459 ± 0.003° |
γ | 76.61 ± 0.004° |
Cell volume | 859.33 ± 0.06 Å3 |
Cell temperature | 145 ± 1 K |
Ambient diffraction temperature | 145 ± 1 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.033 |
Residual factor for significantly intense reflections | 0.0327 |
Weighted residual factors for significantly intense reflections | 0.0887 |
Weighted residual factors for all reflections included in the refinement | 0.0891 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 1.54184 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/1547853.html
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