Information card for entry 2232632

Structure parameters

• Chemical name: 2,2-[(<i>E</i>)-3,3-Diphenylprop-2-ene-1,1-diyl]bis(3-hydroxycyclohex-2- en-1-one)
• Formula: C27 H26 O4
• Calculated formula: C27 H26 O4
• SMILES: O=C1C(=C(O)CCC1)C(C1=C(O)CCCC1=O)/C=C(c1ccccc1)/c1ccccc1
• Title of publication: 2,2-[(<i>E</i>)-3,3-Diphenylprop-2-ene-1,1-diyl]bis(3-hydroxycyclohex-2-en-1-one)
• Authors of publication: Lee, Jae Kyun; Min, Sun-Joon; Cho, Yong Seo; Cha, Joo Hwan; Sato, Hiroyasu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3407
• a: 9.7329 ± 0.0005 Å
• b: 18.6106 ± 0.0009 Å
• c: 24.6522 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4465.4 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.2305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes