Information card for entry 7055553

Structure parameters

• Formula: C23 H16 O
• Calculated formula: C23 H16 O
• SMILES: O=C(/C=C\c1c2ccccc2cc2ccccc12)c1ccccc1
• 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: 16.727 ± 0.003 Å
• b: 5.641 ± 0.0011 Å
• c: 18.544 ± 0.004 Å
• α: 90°
• β: 109.35 ± 0.03°
• γ: 90°
• Cell volume: 1650.9 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1635
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1823
• 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