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Information card for entry 8105333
Preview
| Coordinates | 8105333.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H14 Cl N O4 |
|---|---|
| Calculated formula | C15 H14 Cl N O4 |
| SMILES | C1CCC2(C1)OC(=O)C(C(=O)O2)=CNc1ccc(cc1)Cl |
| Title of publication | The crystal structure of 8-((4-chlorophenylamino)methylene)-6,10-dioxaspiro[4.5]decane-7,9-dione, C15H14ClNO4 |
| Authors of publication | Zhang, Yun-Chen; Zeng, Wu-Lan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 4 |
| Pages of publication | 925 - 927 |
| a | 14.188 ± 0.003 Å |
| b | 5.693 ± 0.0011 Å |
| c | 17.444 ± 0.004 Å |
| α | 90° |
| β | 95.6 ± 0.03° |
| γ | 90° |
| Cell volume | 1402.3 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0916 |
| Residual factor for significantly intense reflections | 0.0719 |
| Weighted residual factors for significantly intense reflections | 0.2038 |
| Weighted residual factors for all reflections included in the refinement | 0.2214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275764 (current) | 2022-06-03 | cif/ Adding structures of 8105333 via cif-deposit CGI script. |
8105333.cif |
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Users of the data should acknowledge the original authors of the
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