Information card for entry 2214490

Structure parameters

• Chemical name: (2E)-3-(Biphenyl-4-yl)-1-(quinolin-2-yl)prop-2-en-1-one
• Formula: C24 H17 N O
• Calculated formula: C24 H17 N O
• SMILES: O=C(c1nc2c(cc1)cccc2)/C=C/c1ccc(cc1)c1ccccc1
• Title of publication: (2<i>E</i>)-3-(Biphenyl-4-yl)-1-(quinolin-2-yl)prop-2-en-1-one
• Authors of publication: Butcher, Ray J.; Jasinski, Jerry P.; Narayana, B.; Mayekar, Anil N.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3546 - o3546
• a: 5.9808 ± 0.0012 Å
• b: 11.9617 ± 0.0018 Å
• c: 13.2239 ± 0.0016 Å
• α: 109.401 ± 0.012°
• β: 92.981 ± 0.013°
• γ: 102.967 ± 0.015°
• Cell volume: 861.3 ± 0.3 ų
• Cell temperature: 203 K
• Ambient diffraction temperature: 203 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes