Information card for entry 7055554

Structure parameters

• Formula: C23 H16 O
• Calculated formula: C23 H16 O
• SMILES: O=C(c1ccccc1)/C=C/c1c2ccccc2cc2ccccc12
• 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: 27.135 ± 0.005 Å
• b: 5.83 ± 0.0012 Å
• c: 20.776 ± 0.004 Å
• α: 90°
• β: 98.03 ± 0.03°
• γ: 90°
• Cell volume: 3254.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1709
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No