Information card for entry 2005168

Structure parameters

• Common name: γ-Lactone
• Chemical name: methyl 11-oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate
• Formula: C12 H16 O4
• Calculated formula: C12 H16 O4
• Title of publication: γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate
• Authors of publication: Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1695 - 1699
• a: 7.116 ± 0.002 Å
• b: 23.074 ± 0.004 Å
• c: 7.266 ± 0.002 Å
• α: 90°
• β: 100.45 ± 0.03°
• γ: 90°
• Cell volume: 1173.2 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0424
• Goodness-of-fit parameter for all reflections: 0.64
• Goodness-of-fit parameter for significantly intense reflections: 0.64
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No