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Information card for entry 2003566
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| Coordinates | 2003566.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Berberine Iodide |
|---|---|
| Formula | C20 H18 I N O4 |
| Calculated formula | C20 H18 I N O4 |
| SMILES | [I-].O1COc2c1cc1c(c2)CC[n+]2c1cc1c(c2)c(OC)c(OC)cc1 |
| Title of publication | Five Salts of Berberine |
| Authors of publication | Kariuki, B. M.; Jones, W. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 6 |
| Pages of publication | 1234 - 1240 |
| a | 7.0814 ± 0.001 Å |
| b | 15.917 ± 0.002 Å |
| c | 16.154 ± 0.002 Å |
| α | 90° |
| β | 99.126 ± 0.01° |
| γ | 90° |
| Cell volume | 1797.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2655 |
| Residual factor for significantly intense reflections | 0.0666 |
| Weighted residual factors for all reflections | 0.1288 |
| Weighted residual factors for significantly intense reflections | 0.1 |
| Goodness-of-fit parameter for all reflections | 0.75 |
| Goodness-of-fit parameter for significantly intense reflections | 1.277 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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