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Information card for entry 7158016
Preview
| Coordinates | 7158016.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 14 |
|---|---|
| Chemical name | Nordiamantane carboxylic acid |
| Formula | C14 H18 O2 |
| Calculated formula | C14 H18 O2 |
| SMILES | O=C(O)C12C3[C@@H]4[C@H](C1)C1[C@H](C2)[C@H]3CC(C1)C4 |
| Title of publication | Synthesis of noradamantane derivatives by ring-contraction of the adamantane framework. |
| Authors of publication | Zonker, Benjamin; Becker, Jonathan; Hrdina, Radim |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 18 |
| Pages of publication | 4027 - 4031 |
| a | 6.517 ± 0.0004 Å |
| b | 10.4112 ± 0.0007 Å |
| c | 15.8832 ± 0.001 Å |
| α | 90° |
| β | 97.934 ± 0.002° |
| γ | 90° |
| Cell volume | 1067.36 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0529 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1069 |
| Weighted residual factors for all reflections included in the refinement | 0.1145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7158016.cif |
| 266169 | 2021-06-05 | cif/ Updating files of 7158016 Original log message: Adding full bibliography for 7158016.cif. |
7158016.cif |
| 264026 | 2021-04-10 | cif/ Adding structures of 7158016 via cif-deposit CGI script. |
7158016.cif |
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Users of the data should acknowledge the original authors of the
structural data.