Information card for entry 2005974

Structure parameters

• Common name: (-)-anti-Isoketopinic acid
• Chemical name: (-)-2-oxo-1,7-dimethylbicyclo[2.2.1]heptane-7-anti-carboxylic acid
• Formula: C10 H14 O3
• Calculated formula: C10 H14 O3
• Title of publication: Hydrogen-Bonding Pattern of a Bicyclic γ-Keto Acid: ({-})-<i>anti</i>-Isoketopinic Acid
• Authors of publication: Lalancette, R. A.; Coté, M. L.; Thompson, H. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 370 - 372
• a: 7.908 ± 0.001 Å
• b: 7.908 ± 0.001 Å
• c: 15.15 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 947.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.122
• Weighted residual factors for significantly intense reflections: 0.1137
• Goodness-of-fit parameter for all reflections: 0.94
• Goodness-of-fit parameter for significantly intense reflections: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No