Information card for entry 2228033

Structure parameters

• Chemical name: (2<i>E</i>)-1-(3-Bromophenyl)-3-(6-methoxy-2-naphthyl)prop-2-en-1-one
• Formula: C20 H15 Br O2
• Calculated formula: C20 H15 Br O2
• SMILES: c1(cc2ccc(cc2cc1)/C=C/C(=O)c1cc(ccc1)Br)OC
• Title of publication: (2<i>E</i>)-1-(3-Bromophenyl)-3-(6-methoxy-2-naphthyl)prop-2-en-1-one
• Authors of publication: Harrison, William T. A.; Mayekar, A. N.; Yathirajan, H. S.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2552
• a: 14.0955 ± 0.0014 Å
• b: 6.1295 ± 0.0006 Å
• c: 36.119 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3120.6 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.1958
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes