Information card for entry 2235737

Structure parameters

• Chemical name: 2,2'-[(<i>E</i>)-3-(4-Nitrophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxy-5,5- dimethylcyclohex-2-en-1-one)
• Formula: C25 H29 N O6
• Calculated formula: C25 H29 N O6
• SMILES: OC1=C(C(C2=C(O)CC(CC2=O)(C)C)/C=C/c2ccc(N(=O)=O)cc2)C(=O)CC(C1)(C)C
• Title of publication: 2,2'-[(<i>E</i>)-3-(4-Nitrophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
• Authors of publication: Cha, Joo Hwan; Cho, Yong Seo; Lee, Jae Kyun; Park, Junghwan; Sato, Hiroyasu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2510
• a: 25.0742 ± 0.0013 Å
• b: 10.2759 ± 0.0005 Å
• c: 20.7156 ± 0.0009 Å
• α: 90°
• β: 119.736 ± 0.0013°
• γ: 90°
• Cell volume: 4634.7 ± 0.4 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: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes