Information card for entry 2224246

Structure parameters

• Chemical name: (2<i>E</i>,6<i>E</i>)-2,6-Difurfurylidenecyclohexanone
• Formula: C16 H14 O3
• Calculated formula: C16 H14 O3
• SMILES: O=C1/C(=C/c2ccco2)CCC/C1=C\c1ccco1
• Title of publication: (2<i>E</i>,6<i>E</i>)-2,6-Difurfurylidenecyclohexanone
• Authors of publication: Ma, Shi-Ying; Zheng, Ze-Bao; Sun, Yi-Feng; Wang, Zi-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3085
• a: 7.7313 ± 0.0011 Å
• b: 15.658 ± 0.002 Å
• c: 10.3388 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1251.6 ± 0.3 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes