Information card for entry 2008891

Structure parameters

• Common name: (+/-)-ketopinic acid
• Chemical name: (+/-)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
• Formula: C10 H14 O3
• Calculated formula: C10 H14 O3
• Title of publication: (+)- and (±)-ketopinic acid: hydrogen-bonding patterns in a β-keto acid in its enantiomeric and racemic forms and enantiomeric disordering in the racemate
• Authors of publication: Lalancette, Roger A.; Coté, Marie L.; Smith III, William J.; Thompson, Hugh W.; Vanderhoff, Peggy A.; Brunskill, Andrew P. J.; Campana, Charles; Burshtein, Izya; Rose, John P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1600 - 1605
• a: 7.0947 ± 0.0003 Å
• b: 11.8316 ± 0.0006 Å
• c: 12.1662 ± 0.0006 Å
• α: 72.013 ± 0.001°
• β: 77.019 ± 0.001°
• γ: 86.546 ± 0.001°
• Cell volume: 946.47 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No