Information card for entry 2311381

Structure parameters

• Chemical name: (2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-Phenylene)bis[1-(3-methoxyphenyl)prop-2-en-1-one]
• Formula: C26 H22 O4
• Calculated formula: C26 H22 O4
• SMILES: c1c(cccc1C(=O)/C=C/c1ccc(cc1)/C=C/C(=O)c1cc(ccc1)OC)OC
• Title of publication: Three closely related (2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-phenyl-ene)bis-[1-(meth-oxy-phen-yl)prop-2-en-1-ones]: supra-molecular assemblies in one dimension mediated by hydrogen bonding and C-H⋯π inter-actions.
• Authors of publication: Sim, Aijia; Chidan Kumar, C. S.; Kwong, Huey Chong; Then, Li Yee; Win, Yip-Foo; Quah, Ching Kheng; Naveen, S.; Chandraju, S.; Lokanath, N. K.; Warad, Ismail
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 6
• Pages of publication: 896 - 900
• a: 5.2626 ± 0.0005 Å
• b: 15.6157 ± 0.0014 Å
• c: 12.4824 ± 0.0011 Å
• α: 90°
• β: 98.76 ± 0.002°
• γ: 90°
• Cell volume: 1013.83 ± 0.16 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No