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Information card for entry 8106273
Preview
| Coordinates | 8106273.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H16 O2 |
|---|---|
| Calculated formula | C18 H16 O2 |
| Title of publication | Crystal structure of 2-isopropyl-8-methyl-phenanthrene-3,4-dione, C18H16O2 |
| 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 | 721 - 722 |
| a | 14.474 ± 0.006 Å |
| b | 6.815 ± 0.003 Å |
| c | 13.738 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1355.1 ± 1 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 3 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0806 |
| Residual factor for significantly intense reflections | 0.0583 |
| Weighted residual factors for significantly intense reflections | 0.1549 |
| Weighted residual factors for all reflections included in the refinement | 0.1759 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279594 (current) | 2022-11-28 | cif/ Adding structures of 8106273 via cif-deposit CGI script. |
8106273.cif |
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Users of the data should acknowledge the original authors of the
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