Information card for entry 2213933

Structure parameters

• Chemical name: 3-(biphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
• Formula: C21 H15 F O
• Calculated formula: C21 H15 F O
• SMILES: Fc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)c1ccccc1
• Title of publication: 3-(Biphenyl-4-yl)-1-(4-fluorophenyl)prop-2-en-1-one
• Authors of publication: Sarojini, B.K.; Yathirajan, H.S.; Sreevidya, T.V.; Narayana, B.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2945 - o2945
• a: 6.0095 ± 0.0005 Å
• b: 35.278 ± 0.003 Å
• c: 7.2352 ± 0.0006 Å
• α: 90°
• β: 90.018 ± 0.007°
• γ: 90°
• Cell volume: 1533.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0625
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes