Information card for entry 7055551

Structure parameters

• Formula: C26 H18 O2
• Calculated formula: C26 H18 O2
• SMILES: c1(ccc2c3c1ccc1c3c(cc2)ccc1)/C=C/C(=O)c1ccc(OC)cc1
• Title of publication: Effect of configurational isomerism and polymorphism on chalcone fluorescent properties
• Authors of publication: Zhang, Ruimin; Wang, Mingliang; Sun, Hao; Khan, Arshad; Usman, Rabia; Wang, Shengzhi; Gu, Xiantao; Wang, Jia; Xu, Chunxiang
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 6441
• a: 11.343 ± 0.002 Å
• b: 7.989 ± 0.0016 Å
• c: 21.559 ± 0.004 Å
• α: 90°
• β: 104.06 ± 0.03°
• γ: 90°
• Cell volume: 1895.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1264
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No