Information card for entry 2008504

Structure parameters

• Chemical name: 4,4-Dimethyltricyclo[6.3.0.0^1,7^]undecane-2,6-dione
• Formula: C13 H18 O2
• Calculated formula: C13 H18 O2
• SMILES: O=C1CC(CC(=O)[C@H]2[C@@H]3CCC[C@]123)(C)C.O=C1CC(CC(=O)[C@@H]2[C@H]3CCC[C@@]123)(C)C
• Title of publication: <i>cis</i>-4,4-Dimethyltricyclo[6.3.0.0^1,7^]undecane-2,6-dione
• Authors of publication: Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: IUC9900039
• a: 11.337 ± 0.002 Å
• b: 9.96 ± 0.002 Å
• c: 11.423 ± 0.002 Å
• α: 90°
• β: 117.15 ± 0.01°
• γ: 90°
• Cell volume: 1147.7 ± 0.4 ų
• Cell temperature: 297 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No