Information card for entry 2238337

Structure parameters

• Chemical name: (<i>E</i>)-2,2'-[3-(4-Chlorophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
• Formula: C25 H29 Cl O4
• Calculated formula: C25 H29 Cl O4
• SMILES: Clc1ccc(cc1)/C=C/C(C1=C(O)CC(CC1=O)(C)C)C1=C(O)CC(CC1=O)(C)C
• Title of publication: (<i>E</i>)-2,2'-[3-(4-Chlorophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
• Authors of publication: Cha, Joo Hwan; Lee, Jae Kyun; Min, Sun-Joon; Cho, Yong Seo; Park, Junghwan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1347
• a: 25.8781 ± 0.0016 Å
• b: 9.782 ± 0.0006 Å
• c: 20.9904 ± 0.0011 Å
• α: 90°
• β: 121.292 ± 0.0015°
• γ: 90°
• Cell volume: 4540.6 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes