Information card for entry 2010266

Structure parameters

• Formula: C14 H20 O2
• Calculated formula: C14 H20 O2
• SMILES: O1C(=O)C(=CC1C1=C(CCCC1(C)C)C)C
• Title of publication: 3-Methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-2(5<i>H</i>)-furanone
• Authors of publication: Díaz, E.; Fuentes Benitez, A.F.; Villafranca, E.V.; Jankowski, C.K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 2030 - 2032
• a: 11.828 ± 0.002 Å
• b: 10.284 ± 0.002 Å
• c: 11.79 ± 0.002 Å
• α: 90°
• β: 118.3 ± 0.3°
• γ: 90°
• Cell volume: 1263 ± 4 ų
• Cell temperature: 297 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.081
• Goodness-of-fit parameter for significantly intense reflections: 1.14
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No