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Information card for entry 7224942
Preview
| Coordinates | 7224942.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 5-Methyl-7-Methoxyflavone |
|---|---|
| Chemical name | Methoxyflavone |
| Formula | C17 H14 O3 |
| Calculated formula | C17 H14 O3 |
| SMILES | O1C=C(C(=O)c2c(cc(OC)cc12)C)c1ccccc1 |
| Title of publication | Concomitant polymorphs of Methoxyflavone (5-Methyl-7-Methoxyflavone) |
| Authors of publication | Gong, Ningbo; Hu, Kun; Jin, Guimin; Du, Guanhua; Lv, Yang |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 12.61 ± 0.003 Å |
| b | 7.764 ± 0.0016 Å |
| c | 28.134 ± 0.006 Å |
| α | 90° |
| β | 104.02 ± 0.03° |
| γ | 90° |
| Cell volume | 2672.4 ± 1.1 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0606 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1446 |
| Weighted residual factors for all reflections included in the refinement | 0.1574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182141 (current) | 2016-04-15 | cif/ Adding structures of 7224942 via cif-deposit CGI script. |
7224942.cif |
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