Information card for entry 2228548

Structure parameters

• Chemical name: (<i>E</i>)-3-(Anthracen-9-yl)-1-(2-bromophenyl)prop-2-en-1-one
• Formula: C23 H15 Br O
• Calculated formula: C23 H15 Br O
• SMILES: Brc1ccccc1C(=O)/C=C/c1c2ccccc2cc2ccccc12
• Title of publication: (<i>E</i>)-3-(Anthracen-9-yl)-1-(2-bromophenyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Kobkeatthawin, Thawanrat; Joothamongkhon, Jaruwan; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3312 - o3313
• a: 7.8631 ± 0.0001 Å
• b: 20.0583 ± 0.0003 Å
• c: 20.7259 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3268.9 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes