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CIF Information Card
Information card for 7205765
7205764 << 7205765 >> 7205766Preview
|
Coordinates |
7205765.cif |
Structure parameters
| Chemical name | (cyclooctylammonium).(benzoate) |
| Formula | - C15 H23 N O2 - |
| Calculated formula | - C15 H23 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 | 6.4482 ± 0.0001 Å |
| b | 9.0987 ± 0.0002 Å |
| c | 12.4471 ± 0.0002 Å |
| α | 86.603 ± 0.001° |
| β | 87.899 ± 0.001° |
| γ | 77.976 ± 0.001° |
| Cell volume | 712.78 ± 0.02 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0494 |
| Residual factor for observed reflections | 0.0419 |
| Weighted residual factors for the observed reflections | 0.111 |
| Weighted residual factors for all reflections included in the refinement | 0.1162 |
| Goodness-of-fit parameter for observed reflections | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |