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CIF Information Card
Information card for 1000019
1000018 << 1000019 >> 1000020Preview
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Coordinates |
1000019.cif |
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Original IUCr paper |
HTML |
Structure parameters
| Common name | 2'-hydroxyl-4''-dimethylaminochalcone |
| Chemical name | 3-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one |
| Formula | - C17 H17 N O2 - |
| Calculated formula | - C17 H17 N O2 - |
| Title of publication | 2'-Hydroxyl-4''-dimethylaminochalcone |
| Authors of publication | Liu, Zhiqiang; Fang, Qi; Yu, Wentao; Xue, Gang; Cao, Duxia; Jiang, Minhua |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 8 |
| Pages of publication | o445 - o446 |
| a | 12.1194 ± 0.0014 Å |
| b | 10.2869 ± 0.0008 Å |
| c | 12.5048 ± 0.0016 Å |
| α | 90° |
| β | 115.864 ± 0.008° |
| γ | 90° |
| Cell volume | 1402.8 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.126 |
| Residual factor for observed reflections | 0.065 |
| Weighted residual factors for the observed reflections | 0.178 |
| Weighted residual factors for all reflections included in the refinement | 0.216 |
| Goodness-of-fit parameter for observed reflections | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Dublicate of | 2012891 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |