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Information card for entry 2008235
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| Coordinates | 2008235.cif |
|---|---|
| Structure factors | 2008235.hkl |
| Original IUCr paper | HTML |
| Common name | Homolycorine Hydrochloride dihydrate |
|---|---|
| Chemical name | (1S,5S,4aR,10bS)-8,9-diethoxy-N-methyl-(2)benzopyran(3,4-g)indolin-6-one |
| Formula | C18 H26 Cl N O6 |
| Calculated formula | C18 H24 Cl N O6 |
| SMILES | [Cl-].O1[C@@H]2CC=C3[C@@H]([NH+](CC3)C)[C@@H]2c2c(C1=O)cc(OC)c(OC)c2.O.O |
| Title of publication | Homolycorine hydrochloride dihydrate |
| Authors of publication | Francesc Viladomat; Jaume Bastida; Carles Codina; Xavier Solans; 'Mercè Font-Bardia |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 3 |
| Pages of publication | 385 - 387 |
| a | 11.173 ± 0.004 Å |
| b | 7.324 ± 0.005 Å |
| c | 12.024 ± 0.008 Å |
| α | 90° |
| β | 97.82 ± 0.04° |
| γ | 90° |
| Cell volume | 974.8 ± 1 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 | 0.0439 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for all reflections included in the refinement | 0.0568 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.875 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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