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Information card for entry 2012295
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| Coordinates | 2012295.cif |
|---|---|
| Structure factors | 2012295.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,2,8-Trimethoxy-9H-xanthen-9-one |
|---|---|
| Formula | C16 H14 O5 |
| Calculated formula | C16 H14 O5 |
| SMILES | O1c2ccc(OC)c(OC)c2C(=O)c2c(OC)cccc12 |
| Title of publication | Naturally occurring 1,2,8-trimethoxyxanthone and biphenyl ether intermediates leading to 1,2-dimethoxyxanthone |
| Authors of publication | Gales, Luis; Sousa, Maria Emilia de; Pinto, Madalena M. M.; Kijjoa, Anake; Damas, Ana M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 11 |
| Pages of publication | 1319 - 1323 |
| a | 5.273 ± 0.001 Å |
| b | 15.443 ± 0.004 Å |
| c | 16.55 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1347.7 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for all reflections included in the refinement | 0.108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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