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Information card for entry 2101873
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| Coordinates | 2101873.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | cinchonidinium (R)-mandelate |
|---|---|
| Formula | C27 H30 N2 O4 |
| Calculated formula | C27 H30 N2 O4 |
| Title of publication | A Study of Diastereomeric Mandelate Salts of Cinchonidine and the Relation to Their Quasidiastereomeric Analogues |
| Authors of publication | Gjerløv, A.; Larsen, S. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 4 |
| Pages of publication | 708 - 718 |
| a | 6.41 ± 0.003 Å |
| b | 32.808 ± 0.011 Å |
| c | 11.222 ± 0.002 Å |
| α | 90° |
| β | 100.67 ± 0.02° |
| γ | 90° |
| Cell volume | 2319.2 ± 1.4 Å3 |
| Cell temperature | 122 ± 1 K |
| Ambient diffraction temperature | 122 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for all reflections | 0.1007 |
| Weighted residual factors for significantly intense reflections | 0.0991 |
| Goodness-of-fit parameter for all reflections | 1.029 |
| Goodness-of-fit parameter for significantly intense reflections | 1.027 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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