Information card for entry 2218666

Structure parameters

• Chemical name: <i>cis</i>-3,3-Dimethyl-3,3a,4,5,6,6a-tetrahydro-1<i>H</i>- cyclopenta[<i>c</i>]furan-1,6-dione
• Formula: C9 H12 O3
• Calculated formula: C9 H12 O3
• SMILES: C1(=O)[C@@H]2C(=O)CC[C@@H]2C(C)(C)O1.C1(=O)[C@H]2C(=O)CC[C@H]2C(C)(C)O1
• Title of publication: <i>cis</i>-3,3-Dimethyl-3,3a,4,5,6,6a-hexahydro-1<i>H</i>-cyclopenta[<i>c</i>]furan-1,6-dione
• Authors of publication: Pearson, Wayne H.; Lanham, Stacey E.; Dillner, Debra K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1266
• a: 6.7333 ± 0.0007 Å
• b: 8.2897 ± 0.0008 Å
• c: 8.5906 ± 0.0008 Å
• α: 111.657 ± 0.002°
• β: 103.571 ± 0.002°
• γ: 92.809 ± 0.002°
• Cell volume: 428.3 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes