Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1543053
Preview
| Coordinates | 1543053.cif |
|---|---|
| Structure factors | 1543053.hkl |
| Original paper (by DOI) | HTML |
| Common name | cis-inositol |
|---|---|
| Chemical name | cis-1,2,3,4,5,6-cyclohexanehexol |
| Formula | C6 H12 O6 |
| Calculated formula | C6 H12 O6 |
| SMILES | [C@@H]1(O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]1O |
| Title of publication | On the correlation between hydrogen bonding and melting points in the inositols |
| Authors of publication | Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco |
| Journal of publication | IUCrJ |
| Year of publication | 2013 |
| Journal volume | 1 |
| Journal issue | 1 |
| Pages of publication | 61 - 73 |
| a | 14.01476 ± 0.00014 Å |
| b | 11.03782 ± 0.00011 Å |
| c | 9.33193 ± 0.00012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1443.58 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 |
| Goodness-of-fit parameter for all reflections | 1.21 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181978 (current) | 2016-04-08 | cif/ hkl/ Adding structures of 1543051, 1543052, 1543053, 1543054, 1543055, 1543056 via cif-deposit CGI script. |
1543053.cif 1543053.hkl |
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.