Information card for entry 2231456

Structure parameters

• Chemical name: 2,2'-[(1<i>E</i>)-3-Phenylprop-2-ene-1,1-diyl]bis(3-hydroxy-5,5- dimethylcyclohex-2-en-1-one)
• Formula: C25 H30 O4
• Calculated formula: C25 H30 O4
• SMILES: C1(=C(CC(CC1=O)(C)C)O)C(/C=C/c1ccccc1)C1=C(CC(CC1=O)(C)C)O
• Title of publication: 2,2'-[(1<i>E</i>)-3-Phenylprop-2-ene-1,1-diyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
• Authors of publication: Zhu, Yu-Lin; Xiao, Guo-Lan; Chen, Yan-Fen; Chen, Rui-Ting; Zhou, Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2398
• a: 5.9465 ± 0.0015 Å
• b: 11.214 ± 0.003 Å
• c: 17.17 ± 0.004 Å
• α: 82.804 ± 0.003°
• β: 81.062 ± 0.003°
• γ: 76.927 ± 0.003°
• Cell volume: 1096.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes