Information card for entry 2311571

Structure parameters

• Chemical name: (2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-phenylene)bis[1-(4-hydroxyphenyl)prop-2-en-1-one] <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Formula: C30 H32 N2 O6
• Calculated formula: C30 H32 N2 O6
• SMILES: c1cc(ccc1C(=O)/C=C/c1ccc(cc1)/C=C/C(=O)c1ccc(cc1)O)O.N(C=O)(C)C.CN(C)C=O
• Title of publication: Synthesis, spectroscopic and Hirshfeld surface analysis and fluorescence studies of (2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-phenyl-ene)bis-[1-(4-hy-droxy-phen-yl)prop-2-en-1-one] <i>N</i>,<i>N</i>-di-methyl-formamide disolvate.
• Authors of publication: Kwong, Huey Chong; Sim, Ai Jia; Chidan Kumar, C. S.; Quah, Ching Kheng; Chantrapromma, Suchada; Naveen, S.; Warad, Ismail
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2018
• Journal volume: 74
• Journal issue: Pt 6
• Pages of publication: 835 - 839
• a: 6.0569 ± 0.0005 Å
• b: 9.5801 ± 0.0005 Å
• c: 11.9941 ± 0.0008 Å
• α: 72.867 ± 0.002°
• β: 84.649 ± 0.002°
• γ: 86.71 ± 0.002°
• Cell volume: 661.86 ± 0.08 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No