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Information card for entry 2207005
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| Coordinates | 2207005.cif |
|---|---|
| Structure factors | 2207005.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2'-Hydroxy-3'-(morpholin-4-yl-methyl)-4',6'-dimethoxy-2-chloro-chalcone |
|---|---|
| Formula | C22 H24 Cl N O5 |
| Calculated formula | C22 H24 Cl N O5 |
| SMILES | Clc1ccccc1/C=C/C(=O)c1c(OC)cc(OC)c(c1O)CN1CCOCC1 |
| Title of publication | 2'-Hydroxy-3'-(morpholin-4-yl-methyl)-4',6'-dimethoxy-2-chloro-chalcone |
| Authors of publication | Tao Liu; Zhong-Miao Xu; Yong-Zhou Hu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 10 |
| Pages of publication | o3389 - o3390 |
| a | 13.408 ± 0.002 Å |
| b | 10.517 ± 0.002 Å |
| c | 29.505 ± 0.006 Å |
| α | 90° |
| β | 92.9 ± 0.02° |
| γ | 90° |
| Cell volume | 4155.2 ± 1.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1235 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.0783 |
| Weighted residual factors for all reflections included in the refinement | 0.0878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.813 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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