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Information card for entry 1559510
Preview
| Coordinates | 1559510.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (+)-(Z)-fenchone oxime], (+)-(Z)-1,3,3-trimethyl-anti-7-chlorobicyclo[2.2.1]heptan-2-one oxime |
|---|---|
| Formula | C10 H17 N O |
| Calculated formula | C10 N O |
| SMILES | ON=C1[C@]2(CC[C@@H](C1(C)C)C2)C |
| Title of publication | X-Ray Diffraction Study on (+)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one {(+)-Fenchone} (Z)-Oxime, Two Monochloro Derivatives and a Dehydrohalogenation Product |
| Authors of publication | Rissanen, Kari; Laihia, Katri; Korvola, Jorma; Kolehmainen, Erkki |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1991 |
| Journal volume | 45 |
| Pages of publication | 751 - 757 |
| a | 6.219 ± 0.002 Å |
| b | 11.25 ± 0.001 Å |
| c | 14.475 ± 0.001 Å |
| α | 90° |
| β | 100.64 ± 0.01° |
| γ | 90° |
| Cell volume | 995.3 ± 0.3 Å3 |
| Ambient diffraction temperature | 296 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 significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.65 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259140 (current) | 2020-11-14 | cif/ Adding structures of 1559510 via cif-deposit CGI script. |
1559510.cif |
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