Information card for entry 2229505

Structure parameters

• Chemical name: Dimethyl 8-acetyl-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate
• Formula: C16 H17 N O5
• Calculated formula: C16 H17 N O5
• SMILES: c12c(cccc1C(=CC(C)(C(=O)OC)N2)C(=O)OC)C(=O)C
• Title of publication: Dimethyl 8-acetyl-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate
• Authors of publication: Keleşoğlu, Zeynep; Gültekin, Zeynep; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o544 - o545
• a: 8.0222 ± 0.0003 Å
• b: 18.2466 ± 0.0009 Å
• c: 10.3478 ± 0.0004 Å
• α: 90°
• β: 101.042 ± 0.003°
• γ: 90°
• Cell volume: 1486.65 ± 0.11 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.086
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes