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Information card for entry 2008402
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| Coordinates | 2008402.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | dispiro[2.1.2.1]octane |
|---|---|
| Formula | C8 H12 |
| Calculated formula | C8 H12 |
| SMILES | C1CC21CC1(C2)CC1 |
| Title of publication | Dispiro[2.1.2.1]octane at 103K |
| Authors of publication | Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 4 |
| Pages of publication | IUC9900023 |
| a | 8.916 ± 0.003 Å |
| b | 6.0717 ± 0.0015 Å |
| c | 12.62 ± 0.003 Å |
| α | 90° |
| β | 95.027 ± 0.014° |
| γ | 90° |
| Cell volume | 680.6 ± 0.3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.069 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for all reflections included in the refinement | 0.156 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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