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Information card for entry 2020390
Preview
| Coordinates | 2020390.cif |
|---|---|
| Structure factors | 2020390.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | Nobiletin |
|---|---|
| Chemical name | 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4<i>H</i>-chromen-4-one |
| Formula | C21 H22 O8 |
| Calculated formula | C21 H22 O8 |
| SMILES | O=c1cc(oc2c(c(c(OC)c(OC)c12)OC)OC)c1cc(OC)c(OC)cc1 |
| Title of publication | Nobiletin: a citrus flavonoid displaying potent physiological activity |
| Authors of publication | Noguchi, Shuji; Atsumi, Haruka; Iwao, Yasunori; Kan, Toshiyuki; Itai, Shigeru |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 2 |
| Pages of publication | 124 - 127 |
| a | 19.3239 ± 0.0017 Å |
| b | 22.921 ± 0.002 Å |
| c | 4.1385 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1833 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0805 |
| Residual factor for significantly intense reflections | 0.0651 |
| Weighted residual factors for significantly intense reflections | 0.1854 |
| Weighted residual factors for all reflections included in the refinement | 0.1915 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.294 |
| Diffraction radiation wavelength | 0.70041 Å |
| Diffraction radiation type | Synchrotron(SPring-8BL02B1) |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020390.cif 2020390.hkl |
| 181873 | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/03 |
2020390.cif 2020390.hkl |
| 177466 | 2016-03-04 | cif/ Updating files of 2020390 Original log message: Adding full bibliography for 2020390.cif. |
2020390.cif 2020390.hkl |
| 174509 | 2016-01-16 | cif/ hkl/ Adding structures of 2020390 via cif-deposit CGI script. |
2020390.cif 2020390.hkl |
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Users of the data should acknowledge the original authors of the
structural data.