Information card for entry 2008402

Structure parameters

• 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 ų
• 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