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Information card for entry 2206640
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| Coordinates | 2206640.cif |
|---|---|
| Structure factors | 2206640.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2'-Hydroxy-4,4',5',6'-tetramethoxychalcone |
|---|---|
| Formula | C19 H20 O6 |
| Calculated formula | C19 H20 O6 |
| SMILES | O(C)c1ccc(cc1)/C=C/C(=O)c1c(O)cc(OC)c(OC)c1OC |
| Title of publication | 2'-Hydroxy-4,4',5',6'-tetramethoxychalcone |
| Authors of publication | Wafo, Pascal; Hussain, Hidayat; Kouam, Simeon F.; Ngadjui, Bonaventure T.; Flörke, Ulrich; Krohn, Karsten |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 9 |
| Pages of publication | o3017 - o3019 |
| a | 13.092 ± 0.004 Å |
| b | 15.041 ± 0.005 Å |
| c | 8.256 ± 0.003 Å |
| α | 90° |
| β | 98.649 ± 0.007° |
| γ | 90° |
| Cell volume | 1607.3 ± 0.9 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0859 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.0814 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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