Information card for entry 7055550

Structure parameters

• Formula: C24 H18 O2
• Calculated formula: C24 H18 O2
• SMILES: O=C(/C=C/c1c2ccccc2cc2ccccc12)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: 10.669 ± 0.002 Å
• b: 11.771 ± 0.002 Å
• c: 14.278 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1793.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1862
• 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