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Information card for entry 2238233
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| Coordinates | 2238233.cif |
|---|---|
| Structure factors | 2238233.hkl |
| Original IUCr paper | HTML |
| Common name | 5,6-Dihydroxy-7,8-dimethoxyflavone |
|---|---|
| Chemical name | 5,6-dihydroxy-7,8-dimethoxy-2-phenylchromen-4-one |
| Formula | C17 H14 O6 |
| Calculated formula | C17 H14 O6 |
| SMILES | COc1c(OC)c(O)c(c2c1oc(cc2=O)c1ccccc1)O |
| Title of publication | 5,6-Dihydroxy-7,8-dimethoxyflavone |
| Authors of publication | Jing, Lin-Lin; Fan, Xiao-Fei; Fan, Peng-Cheng; He, Lei; Jia, Zheng-Ping |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | o1096 |
| a | 7.953 ± 0.006 Å |
| b | 8.548 ± 0.006 Å |
| c | 10.951 ± 0.008 Å |
| α | 96.602 ± 0.008° |
| β | 92.282 ± 0.008° |
| γ | 100.279 ± 0.007° |
| Cell volume | 726.3 ± 0.9 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.1273 |
| Residual factor for significantly intense reflections | 0.0697 |
| Weighted residual factors for significantly intense reflections | 0.1934 |
| Weighted residual factors for all reflections included in the refinement | 0.2358 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181304 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/82. |
2238233.cif 2238233.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238233.cif 2238233.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238233.cif 2238233.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238233.cif 2238233.hkl |
| 87488 | 2013-08-27 | cif/ Adding structures of 2238233 via cif-deposit CGI script. |
2238233.cif |
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Users of the data should acknowledge the original authors of the
structural data.