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Information card for entry 8105799
Preview
| Coordinates | 8105799.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H22 O4 |
|---|---|
| Calculated formula | C15 H22 O4 |
| SMILES | O1C2(OC(=O)C(C1=O)C1CCCCC1)CCCCC2 |
| Title of publication | The crystal structure of 3-cyclohexyl-1,5-dioxaspiro[5.5]undecane-2,4-dione, C15H22O4 |
| Authors of publication | Wu-Lan, Zeng; Wan, Xin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 4 |
| Pages of publication | 619 - 620 |
| a | 12.737 ± 0.0005 Å |
| b | 11.4565 ± 0.0007 Å |
| c | 10.043 ± 0.0006 Å |
| α | 90° |
| β | 103.34 ± 0.001° |
| γ | 90° |
| Cell volume | 1425.95 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0677 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1272 |
| Weighted residual factors for all reflections included in the refinement | 0.1406 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278000 (current) | 2022-09-20 | cif/ Adding structures of 8105799 via cif-deposit CGI script. |
8105799.cif |
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