Information card for entry 2229607

Structure parameters

• Chemical name: (2<i>E</i>)-3-(2-Anthracen-2-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
• Formula: C23 H16 O2
• Calculated formula: C23 H16 O2
• SMILES: O=C(c1ccccc1O)/C=C/c1c2ccccc2cc2c1cccc2
• Title of publication: (2<i>E</i>)-3-(2-Anthracen-2-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Musthafa Khaleel, V.; Sarojini, B. K.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o795
• a: 14.0748 ± 0.0005 Å
• b: 13.7362 ± 0.0005 Å
• c: 16.98 ± 0.0008 Å
• α: 90°
• β: 101.487 ± 0.005°
• γ: 90°
• Cell volume: 3217.1 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0542
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes