Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7239793
Preview
| Coordinates | 7239793.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,3-Adamantanediol |
|---|---|
| Formula | C10 H16 O2 |
| Calculated formula | C10 H16 O2 |
| Title of publication | Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH3) and the crystal plastic phase formation ability |
| Authors of publication | Négrier, Philippe; Ben Hassine, Bacem; Barrio, Maria; Romanini, Michela; MONDIEIG, DENISE; Tamarit, Josep Lluis |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 11.9118 ± 0.0006 Å |
| b | 11.9118 ± 0.0006 Å |
| c | 10.959 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1346.65 ± 0.13 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 193 |
| Hermann-Mauguin space group symbol | P 63/m c m |
| Hall space group symbol | -P 6c 2 |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247068 (current) | 2020-01-22 | cif/ Adding structures of 7239793 via cif-deposit CGI script. |
7239793.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.