Information card for entry 2221633

Structure parameters

• Chemical name: (<i>E</i>)-1-(4-Bromophenyl)-3-(2-furyl)prop-2-en-1-one
• Formula: C13 H9 Br O2
• Calculated formula: C13 H9 Br O2
• SMILES: Brc1ccc(C(=O)/C=C/c2occc2)cc1
• Title of publication: (<i>E</i>)-1-(4-Bromophenyl)-3-(2-furyl)prop-2-en-1-one
• Authors of publication: Gao, Jin-Ming; Qin, Jian-Chun; Zhang, Ya-Mei; Li, Guang-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1087
• a: 14.172 ± 0.004 Å
• b: 14.064 ± 0.004 Å
• c: 5.8002 ± 0.0018 Å
• α: 90°
• β: 98.353 ± 0.004°
• γ: 90°
• Cell volume: 1143.8 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0749
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes