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Information card for entry 2003515
Preview
| Coordinates | 2003515.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 11,12-seco-12,13-didehydromultiflorine perchlorate hydrate |
|---|---|
| Formula | C15 H25 Cl N2 O6 |
| Calculated formula | C15 H25.07 Cl N2 O6 |
| Title of publication | 11,12-Seco-12,13-didehydromultiflorine Perchlorate Hydrate |
| Authors of publication | Dutkiewicz, G.; Kubicki, M.; Borowiak, T.; Wysocka, W. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 6 |
| Pages of publication | 1182 - 1184 |
| a | 8.014 ± 0.002 Å |
| b | 8.633 ± 0.002 Å |
| c | 12.6 ± 0.003 Å |
| α | 90° |
| β | 90.53 ± 0.03° |
| γ | 90° |
| Cell volume | 871.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0577 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for all reflections | 0.1741 |
| Weighted residual factors for significantly intense reflections | 0.1069 |
| Goodness-of-fit parameter for all reflections | 1.076 |
| Goodness-of-fit parameter for significantly intense reflections | 1.118 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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