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Information card for entry 2012354
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| Coordinates | 2012354.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 4',5-dihydroxy-3,3',8-trimethoxy-7-(3-methylbut-2-enyloxy)flavone |
|---|---|
| Formula | C23 H24 O8 |
| Calculated formula | C23 H24 O8 |
| SMILES | o1c(c(OC)c(=O)c2c(O)cc(OC/C=C(C)/C)c(OC)c12)c1ccc(O)c(OC)c1 |
| Title of publication | Two crystal polymorphs of a flavonoid from <i>Melicope ellyrana</i> |
| Authors of publication | Smith, Graham; Bartley, John P.; Wang, Ertong; Bott, Raymond C. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 11 |
| Pages of publication | 1336 - 1337 |
| a | 12.291 ± 0.005 Å |
| b | 13.075 ± 0.005 Å |
| c | 7.099 ± 0.003 Å |
| α | 93.85 ± 0.05° |
| β | 104.33 ± 0.04° |
| γ | 111.52 ± 0.03° |
| Cell volume | 1012.4 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1544 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for all reflections included in the refinement | 0.1987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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