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CIF Information Card
Information card for 7205769
7205768 << 7205769 >> 7205770Preview
|
Coordinates |
7205769.cif |
Structure parameters
| Chemical name | (cycloheptylammonium).(adamantane carboxylate) |
| Formula | - C18 H31 N O2 - |
| Calculated formula | - C18 H31 N O2 - |
| Title of publication | Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12 |
| Authors of publication | Lemmerer, Andreas |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 8 |
| Pages of publication | 2849 |
| a | 23.4749 ± 0.001 Å |
| b | 6.4309 ± 0.0002 Å |
| c | 21.8759 ± 0.001 Å |
| α | 90° |
| β | 96.802 ± 0.002° |
| γ | 90° |
| Cell volume | 3279.2 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.0772 |
| Residual factor for observed reflections | 0.05 |
| Weighted residual factors for the observed reflections | 0.1099 |
| Weighted residual factors for all reflections included in the refinement | 0.1218 |
| Goodness-of-fit parameter for observed reflections | 0.969 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |