Information card for entry 2219385

Structure parameters

• Chemical name: (E,E)-2,5-Bis(4-<i>tert</i>-butylbenzylidene)cyclopentanone
• Formula: C27 H32 O
• Calculated formula: C27 H32 O
• SMILES: CC(c1ccc(cc1)/C=C1\CC/C(=C\c2ccc(cc2)C(C)(C)C)C1=O)(C)C
• Title of publication: (<i>E</i>,<i>E</i>)-2,5-Bis(4-<i>tert</i>-butylbenzylidene)cyclopentanone
• Authors of publication: Wei, Jian; Liang, Guang; Gai, Yuhong; Lu, Jingmei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1755
• a: 41.246 ± 0.007 Å
• b: 6.293 ± 0.001 Å
• c: 43.001 ± 0.007 Å
• α: 90°
• β: 94.243 ± 0.004°
• γ: 90°
• Cell volume: 11131 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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
• Residual factor for all reflections: 0.1631
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes