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Information card for entry 1518632
Preview
Coordinates | 1518632.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H22 O3 |
---|---|
Calculated formula | C15 H22 O3 |
SMILES | O=C1C=C2CC[C@@H](O)[C@@H]([C@]2([C@@H](O)C1=C(C)C)C)C |
Title of publication | Phytotoxic Eremophilane Sesquiterpenes from the Coprophilous Fungus Penicillium sp. G1-a14. |
Authors of publication | Del Valle, Paulina; Figueroa, Mario; Mata, Rachel |
Journal of publication | Journal of natural products |
Year of publication | 2015 |
Journal volume | 78 |
Journal issue | 2 |
Pages of publication | 339 - 342 |
a | 10.8914 ± 0.0002 Å |
b | 10.9342 ± 0.0002 Å |
c | 11.4227 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1360.32 ± 0.04 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 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 | 0.0331 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for significantly intense reflections | 0.0868 |
Weighted residual factors for all reflections included in the refinement | 0.087 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 1.54178 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/1518632.html
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Users of the data should acknowledge the original authors of the
structural data.