Information card for entry 2005860

Structure parameters

• Common name: (-)-cis Pinononic acid
• Chemical name: (-)-cis-3-acetyl-2,2-dimethylcyclobutanecarboxylic acid
• Formula: C9 H14 O3
• Calculated formula: C9 H14 O3
• Title of publication: ({-})-<i>cis</i>-Pinononic Acid: Hydrogen-Bonding Pattern of a δ-Keto Acid
• Authors of publication: Coté, M. L.; Thompson, H. W.; Lalancette, R. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 102 - 106
• a: 5.8824 ± 0.0007 Å
• b: 12.451 ± 0.002 Å
• c: 6.7557 ± 0.0008 Å
• α: 90°
• β: 110.186 ± 0.006°
• γ: 90°
• Cell volume: 464.41 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections: 0.1016
• Weighted residual factors for significantly intense reflections: 0.0922
• Goodness-of-fit parameter for all reflections: 0.836
• Goodness-of-fit parameter for significantly intense reflections: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No