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Information card for entry 2232137
Preview
| Coordinates | 2232137.cif |
|---|---|
| Structure factors | 2232137.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | 5-hydroxy-3,4',6,7-tetramethoxyflavone |
|---|---|
| Chemical name | 5-Hydroxy-3,6,7-trimethoxy-2-(4-methoxyphenyl)-4<i>H</i>-1-benzopyran-4-one |
| Formula | C19 H18 O7 |
| Calculated formula | C19 H18 O7 |
| SMILES | COc1ccc(cc1)c1oc2cc(OC)c(c(c2c(=O)c1OC)O)OC |
| Title of publication | 5-Hydroxy-3,4',6,7-tetramethoxyflavone |
| Authors of publication | Geng, Hua-Wei; Wang, Guo-Cai; Li, Guo-Qiang; Jiang, Ren-Wang; Li, Yao-Lan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | o2733 |
| a | 16.6029 ± 0.0003 Å |
| b | 7.40255 ± 0.00012 Å |
| c | 14.8666 ± 0.0003 Å |
| α | 90° |
| β | 110.487 ± 0.002° |
| γ | 90° |
| Cell volume | 1711.6 ± 0.06 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 | 0.0391 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0932 |
| Weighted residual factors for all reflections included in the refinement | 0.0973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2232137.cif 2232137.hkl |
| 181243 | 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 2/23/21. |
2232137.cif 2232137.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. |
2232137.cif 2232137.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232137.cif 2232137.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232137.cif 2232137.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232137.cif 2232137.hkl |
| 29433 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232137 via cif-deposit CGI script. |
2232137.cif |
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Users of the data should acknowledge the original authors of the
structural data.