Information card for entry 2231881

Structure parameters

• Chemical name: (<i>E</i>)-3-(anthracen-9-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
• Formula: C23 H16 O2
• Calculated formula: C23 H16 O2
• SMILES: O=C(/C=C/c1c2ccccc2cc2ccccc12)c1c(O)cccc1
• Title of publication: Redetermination of (<i>E</i>)-3-(anthracen-9-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
• Authors of publication: Chantrapromma, Suchada; Kobkeatthawin, Thawanrat; Chanawanno, Kullapa; Joothamongkhon, Jaruwan; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2554 - o2555
• a: 14.0843 ± 0.0002 Å
• b: 13.7224 ± 0.0002 Å
• c: 16.9615 ± 0.0003 Å
• α: 90°
• β: 101.411 ± 0.001°
• γ: 90°
• Cell volume: 3213.36 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0556
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes