Information card for entry 7154433

Structure parameters

• Formula: C26 H23 N O3
• Calculated formula: C26 H23 N O3
• SMILES: c1(cc(c(c(c1)OC)OC)OC)c1cc(c2ccccc2)nc(c1)c1ccccc1
• 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: 19.554 ± 0.003 Å
• b: 14.799 ± 0.0017 Å
• c: 7.5795 ± 0.0009 Å
• α: 90°
• β: 101.157 ± 0.006°
• γ: 90°
• Cell volume: 2151.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No