Information card for entry 2008106

Structure parameters

• Chemical name: 6,7-Dimethyltricyclo[3.2.2.0]non-6-ene
• Formula: C11 H16
• Calculated formula: C11 H16
• SMILES: [C@]123[C@](C(=C1C)C)(CC2)CCC3
• Title of publication: 6,7-Dimethyltricyclo[3.2.2.0]non-6-ene at 120 K, a [3.2.2]propellane derivative
• Authors of publication: Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: IUC9800075
• a: 11.329 ± 0.003 Å
• b: 6.6648 ± 0.0016 Å
• c: 12.995 ± 0.003 Å
• α: 90°
• β: 112.821 ± 0.016°
• γ: 90°
• Cell volume: 904.4 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No