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Information card for entry 2003563
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| Coordinates | 2003563.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Berberine Chloride tetrahydrate |
|---|---|
| Formula | C20 H26 Cl N O8 |
| Calculated formula | C20 H26 Cl N O8 |
| SMILES | c12c(cc3c(c1)CC[n+]1c3cc3c(c1)c(OC)c(OC)cc3)OCO2.O.O.O.O.[Cl-] |
| 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 | 7.029 ± 0.002 Å |
| b | 11.598 ± 0.003 Å |
| c | 13.172 ± 0.02 Å |
| α | 103.85 ± 0.02° |
| β | 89.14 ± 0.02° |
| γ | 95.87° |
| Cell volume | 1037.1 ± 1.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1273 |
| Residual factor for significantly intense reflections | 0.0701 |
| Weighted residual factors for all reflections | 0.2214 |
| Weighted residual factors for significantly intense reflections | 0.1947 |
| Goodness-of-fit parameter for all reflections | 0.98 |
| Goodness-of-fit parameter for significantly intense reflections | 1.238 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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