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Information card for entry 4513378
Preview
| Coordinates | 4513378.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H18 O |
|---|---|
| Calculated formula | C11 H18 O |
| SMILES | C12(CC3CC(C1)CC(C3)C2)CO |
| Title of publication | Phase Transition in Hydrogen-Bonded 1-Adamantane-methanol |
| Authors of publication | Hassine, Bacem Ben; Negrier, Philippe; Barrio, María; Mondieig, Denise; Massip, Stéphane; Tamarit, Josep Ll. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 8 |
| Pages of publication | 4149 |
| a | 13.0675 ± 0.0007 Å |
| b | 11.2831 ± 0.0008 Å |
| c | 19.3721 ± 0.0014 Å |
| α | 90° |
| β | 90.518 ± 0.005° |
| γ | 90° |
| Cell volume | 2856.1 ± 0.3 Å3 |
| Cell temperature | 90 ± 1 K |
| Ambient diffraction temperature | 90 ± 1 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 |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4513378.cif |
| 154550 | 2015-09-05 | cif/ Updating files of 4513378 Original log message: Adding full bibliography for 4513378.cif. |
4513378.cif |
| 141414 | 2015-07-09 | cif/ Adding structures of 4513378 via cif-deposit CGI script. |
4513378.cif |
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Users of the data should acknowledge the original authors of the
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