Information card for entry 2010114

Structure parameters

• Formula: C6 H8 O2
• Calculated formula: C6 H8 O2
• SMILES: OC(=O)/C=C/C=C/C
• Title of publication: Sorbic acid
• Authors of publication: Cox, P.J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 10
• Pages of publication: 1620 - 1622
• a: 19.749 ± 0.003 Å
• b: 3.9355 ± 0.0005 Å
• c: 15.649 ± 0.002 Å
• α: 90°
• β: 101.66 ± 0.01°
• γ: 90°
• Cell volume: 1191.2 ± 0.3 ų
• Cell temperature: 150 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Weighted residual factors for significantly intense reflections: 0.096
• Goodness-of-fit parameter for significantly intense reflections: 0.508
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No