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Information card for entry 2312718
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| Coordinates | 2312718.cif |
|---|---|
| Structure factors | 2312718.hkl |
| Original paper (by DOI) | HTML |
| Common name | quercetin dihydrate |
|---|---|
| Chemical name | quercetin dihydrate |
| Formula | C15 H13.968 O8.984 |
| Calculated formula | C15 H13.96 O8.98 |
| Title of publication | Conformational disorder in quercetin dihydrate revealed from ultrahigh-resolution synchrotron diffraction. |
| Authors of publication | Bibila Mayaya Bisseyou, Yvon; Wright, Jonathan; Jelsch, Christian |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 6 |
| a | 3.7244 ± 0.0017 Å |
| b | 13.05 ± 0.006 Å |
| c | 14.982 ± 0.007 Å |
| α | 71.986 ± 0.004° |
| β | 83.86 ± 0.005° |
| γ | 85.624 ± 0.005° |
| Cell volume | 687.8 ± 0.5 Å3 |
| Cell temperature | 20 ± 2 K |
| Ambient diffraction temperature | 20 ± 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 | 0.0339 |
| Residual factor for significantly intense reflections | 0.0198 |
| Weighted residual factors for significantly intense reflections | 0.0386 |
| Weighted residual factors for all reflections included in the refinement | 0.0414 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.15815 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296197 (current) | 2024-12-03 | cif/ hkl/ Adding structures of 2312718 via cif-deposit CGI script. |
2312718.cif 2312718.hkl |
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