Information card for entry 7154435

Structure parameters

• Formula: C17 H14 N2 O3
• Calculated formula: C17 H14 N2 O3
• SMILES: c1(ccccc1)[C@H]1C=C(c2ccccc2)NC(=O)[C@@H]1N(=O)=O.c1(ccccc1)[C@@H]1C=C(c2ccccc2)NC(=O)[C@H]1N(=O)=O
• 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: 15.617 ± 0.008 Å
• b: 5.565 ± 0.003 Å
• c: 18.62 ± 0.01 Å
• α: 90°
• β: 113.024 ± 0.005°
• γ: 90°
• Cell volume: 1489.3 ± 1.4 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: 0.1994
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2575
• Weighted residual factors for all reflections included in the refinement: 0.3334
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No