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Information card for entry 2003308
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| Coordinates | 2003308.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C10 H10 O4 |
|---|---|
| Calculated formula | C10 H10 O4 |
| SMILES | COc1cc2COC(=O)c2c(c1C)O |
| Title of publication | Antifungal Compounds Isolated from New Zealand Flax: 7-Hydroxy-5-methoxy-6-methylphthalide and 4-Methoxycarbonyl-β-orcinol |
| Authors of publication | Gainsford, G. J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 4 |
| Pages of publication | 709 - 712 |
| a | 6.985 ± 0.004 Å |
| b | 16.056 ± 0.022 Å |
| c | 16.566 ± 0.017 Å |
| α | 81.92 ± 0.1° |
| β | 85.05 ± 0.07° |
| γ | 79.34 ± 0.08° |
| Cell volume | 1804 ± 3 Å3 |
| Cell temperature | 133 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 significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.111 |
| Goodness-of-fit parameter for significantly intense reflections | 1.11 |
| Diffraction radiation wavelength | 0.71073 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
structural data.