Information card for entry 2225498

Structure parameters

• Common name: (<i>E</i>)-3-(anthracen-9-yl)-1-(furan-2-yl)prop-2-en-1-one
• Chemical name: (<i>E</i>)-3-(anthracen-9-yl)-1-(furan-2-yl)prop-2-en-1-one
• Formula: C21 H14 O2
• Calculated formula: C21 H14 O2
• SMILES: O=C(c1occc1)/C=C/c1c2ccccc2cc2ccccc12
• Title of publication: (<i>E</i>)-3-(Anthracen-9-yl)-1-(furan-2-yl)prop-2-en-1-one
• Authors of publication: Horkaew, Jirapa; Suwunwong, Thitipone; Chantrapromma, Suchada; Karalai, Chatchanok; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o800 - o801
• a: 21.5743 ± 0.0004 Å
• b: 5.4571 ± 0.0001 Å
• c: 12.8394 ± 0.0002 Å
• α: 90°
• β: 104.099 ± 0.001°
• γ: 90°
• Cell volume: 1466.09 ± 0.04 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: 0.0508
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes