Information card for entry 2224175

Structure parameters

• Chemical name: (2<i>E</i>,5<i>E</i>)-2,5-Difurfurylidenecyclopentanone
• Formula: C15 H12 O3
• Calculated formula: C15 H12 O3
• SMILES: O=C1C(=C\c2occc2)\CC/C1=C\c1occc1
• Title of publication: (2<i>E</i>,5<i>E</i>)-2,5-Difurfurylidenecyclopentanone
• Authors of publication: Ma, Shi-Ying; Zheng, Ze-Bao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3084
• a: 5.928 ± 0.0009 Å
• b: 8.5031 ± 0.0013 Å
• c: 23.28 ± 0.003 Å
• α: 90°
• β: 92.139 ± 0.003°
• γ: 90°
• Cell volume: 1172.6 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes