Information card for entry 1556316

Structure parameters

• Formula: C17 H17 N O5
• Calculated formula: C17 H17 N O5
• SMILES: n1c(c(c(c(c1C)C(=O)OC)C)C(=O)OC)c1ccc(O)cc1
• Title of publication: [Ru(bpy)3]2+ aided photocatalytic synthesis of 2-arylpyridines via Hantzsch reaction under visible irradiation and oxygen atmosphere
• Authors of publication: Ananthakrishnan, Rajakumar; Gazi, Sarifuddin
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 7
• Pages of publication: 1463
• a: 8.8191 ± 0.0006 Å
• b: 17.5507 ± 0.0011 Å
• c: 20.7531 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3212.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No