Information card for entry 2227963

Structure parameters

• Chemical name: (<i>Z</i>)-3-(Anthracen-9-yl)-1-(2-ethoxyphenyl)prop-2-en-1-one
• Formula: C25 H20 O2
• Calculated formula: C25 H20 O2
• SMILES: O=C(c1c(OCC)cccc1)/C=C\c1c2ccccc2cc2ccccc12
• Title of publication: (<i>Z</i>)-3-(Anthracen-9-yl)-1-(2-ethoxyphenyl)prop-2-en-1-one
• Authors of publication: Joothamongkhon, Jaruwan; Chantrapromma, Suchada; Kobkeatthawin, Thawanrat; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2669 - o2670
• a: 5.4442 ± 0.0001 Å
• b: 10.7665 ± 0.0002 Å
• c: 32.216 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1888.34 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes