Information card for entry 2222111

Structure parameters

• Chemical name: <i>rac</i>-4,8-Divinylbicyclo[3.3.1]nonane-2,6-dione
• Formula: C13 H16 O2
• Calculated formula: C13 H16 O2
• SMILES: [C@H]12C(=O)C[C@H]([C@H](C(=O)C[C@H]1C=C)C2)C=C.[C@@H]12C(=O)C[C@@H]([C@@H](C(=O)C[C@@H]1C=C)C2)C=C
• Title of publication: <i>rac</i>-4,8-Divinylbicyclo[3.3.1]nonane-2,6-dione
• Authors of publication: Orentas, Edvinas; Wendt, Ola F.; Wärnmark, Kenneth; Butkus, Eugenijus; Wallentin, Carl-Johan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1357
• a: 20.4254 ± 0.0011 Å
• b: 8.8913 ± 0.0006 Å
• c: 6.257 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1136.32 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes