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Information card for entry 8107645
Preview
| Coordinates | 8107645.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | endo-2-carboxy-bicyclo[2.2.1]-heptane |
|---|---|
| Formula | C8 H12 O2 |
| Calculated formula | C8 H12 O2 |
| SMILES | OC(=O)[C@H]1[C@H]2CC[C@@H](C1)C2.OC(=O)[C@@H]1[C@@H]2CC[C@H](C1)C2 |
| Title of publication | Redetermination of the crystal structure of endo-2-carboxy-bicyclo[2.2.1]- heptane, C8H12O2 |
| Authors of publication | Schalekamp, Henk; Hosten, Eric C.; Betz, Richard |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2015 |
| Journal volume | 230 |
| Journal issue | 1 |
| Pages of publication | 33 - 34 |
| a | 5.8945 ± 0.0004 Å |
| b | 6.0522 ± 0.0003 Å |
| c | 10.7643 ± 0.0007 Å |
| α | 101.219 ± 0.002° |
| β | 90.581 ± 0.002° |
| γ | 95.445 ± 0.002° |
| Cell volume | 374.81 ± 0.04 Å3 |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.1105 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287511 (current) | 2023-11-10 | cif/ Adding structures of 8107645 via cif-deposit CGI script. |
8107645.cif |
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Users of the data should acknowledge the original authors of the
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