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Information card for entry 8106274
Preview
| Coordinates | 8106274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H22 O2 |
|---|---|
| Calculated formula | C19 H22 O2 |
| SMILES | O=C1c2c(ccc3c2CCCC3(C)C)C=C(C1=O)C(C)C |
| Title of publication | Crystal structure of 2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione, C19H22O2 |
| Authors of publication | Wu, Jichun; Luo, Guoyong; Liu, Yuchen; Yang, Wude |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 723 - 724 |
| a | 8.4768 ± 0.0013 Å |
| b | 8.7667 ± 0.0014 Å |
| c | 11.1282 ± 0.0017 Å |
| α | 73.284 ± 0.003° |
| β | 73.041 ± 0.003° |
| γ | 83.391 ± 0.003° |
| Cell volume | 757.1 ± 0.2 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0661 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1457 |
| Weighted residual factors for all reflections included in the refinement | 0.1613 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279595 (current) | 2022-11-28 | cif/ Adding structures of 8106274 via cif-deposit CGI script. |
8106274.cif |
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Users of the data should acknowledge the original authors of the
structural data.