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Information card for entry 2010303
Preview
| Coordinates | 2010303.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C11 H16 O2 |
|---|---|
| Calculated formula | C11 H16 O2 |
| SMILES | OC(=O)[C@@]12CC[C@@H](C1)C(C2=C)(C)C |
| Title of publication | Camphene-1-carboxylic acid: stereochemistry of the Nametkin shift |
| Authors of publication | Cameron, T.S.; Jochem, K.; Morris, D.G.; Maguire, J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1994 |
| Journal volume | 50 |
| Journal issue | 12 |
| Pages of publication | 2085 - 2087 |
| a | 6.193 ± 0.002 Å |
| b | 10.609 ± 0.002 Å |
| c | 15.492 ± 0.004 Å |
| α | 90° |
| β | 86.42 ± 0.02° |
| γ | 90° |
| Cell volume | 1015.9 ± 0.5 Å3 |
| Cell temperature | 291 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.0429 |
| Goodness-of-fit parameter for significantly intense reflections | 0.241 |
| Diffraction radiation wavelength | 0.70926 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
structural data.