Information card for entry 7154434

Structure parameters

• Formula: C18 H15 N O2
• Calculated formula: C18 H15 N O2
• SMILES: c1(ccccc1)c1cc(c2ccc(cc2)OC)[nH]c(=O)c1
• Title of publication: Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.
• Authors of publication: Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 21
• Pages of publication: 5944 - 5954
• a: 14.347 ± 0.002 Å
• b: 7.3632 ± 0.0011 Å
• c: 13.382 ± 0.002 Å
• α: 90°
• β: 92.25 ± 0.007°
• γ: 90°
• Cell volume: 1412.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1017
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 0.825
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No