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Information card for entry 2204245
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| Coordinates | 2204245.cif |
|---|---|
| Structure factors | 2204245.hkl |
| Original IUCr paper | HTML |
| Chemical name | (E)-2-(4-Chlorobenzylidene)cyclooctanone |
|---|---|
| Formula | C15 H17 Cl O |
| Calculated formula | C15 H17 Cl O |
| SMILES | Clc1ccc(/C=C2C(=O)CCCCCC/2)cc1 |
| Title of publication | (<i>E</i>)-2-(4-Chlorobenzylidene)cyclooctanone |
| Authors of publication | Shen-Lin Huang; Yu-Lin Zhu; Yuan-Jiang Pan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 9 |
| Pages of publication | o1504 - o1506 |
| a | 7.474 ± 0.001 Å |
| b | 10.545 ± 0.001 Å |
| c | 8.568 ± 0.001 Å |
| α | 90° |
| β | 100.223 ± 0.009° |
| γ | 90° |
| Cell volume | 664.55 ± 0.14 Å3 |
| Cell temperature | 288 ± 2 K |
| Ambient diffraction temperature | 288 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0508 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0755 |
| Weighted residual factors for all reflections included in the refinement | 0.079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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