Information card for entry 2218998

Structure parameters

• Chemical name: 1-(4-Bromophenyl)-3-(4-ethoxyphenyl)prop-2-en-1-one
• Formula: C17 H15 Br O2
• Calculated formula: C17 H15 Br O2
• SMILES: Brc1ccc(cc1)C(=O)/C=C/c1ccc(OCC)cc1
• Title of publication: 1-(4-Bromophenyl)-3-(4-ethoxyphenyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Patil, P. S.; Dharmaprakash, S. M.; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1540 - o1541
• a: 3.9855 ± 0.0001 Å
• b: 10.0681 ± 0.0003 Å
• c: 17.527 ± 0.0004 Å
• α: 90°
• β: 92.227 ± 0.002°
• γ: 90°
• Cell volume: 702.76 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes