Information card for entry 2234046

Structure parameters

• Chemical name: Dimethyl 6-acetyl-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate
• Formula: C16 H17 N O5
• Calculated formula: C16 H17 N O5
• SMILES: O=C(OC)C1(Nc2ccc(cc2C(=C1)C(=O)OC)C(=O)C)C
• Title of publication: Dimethyl 6-acetyl-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate
• Authors of publication: Gültekin, Zeynep; Bolte, Michael; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o606
• a: 7.9853 ± 0.0007 Å
• b: 8.395 ± 0.0007 Å
• c: 12.4416 ± 0.0011 Å
• α: 89.308 ± 0.007°
• β: 74.436 ± 0.007°
• γ: 71.568 ± 0.007°
• Cell volume: 759.82 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes