Information card for entry 2229547

Structure parameters

• Chemical name: Dimethyl 5,6,7-trimethoxy-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate
• Formula: C17 H21 N O7
• Calculated formula: C17 H21 N O7
• SMILES: O=C(OC)C1(Nc2c(C(=C1)C(=O)OC)c(OC)c(OC)c(OC)c2)C
• Title of publication: Dimethyl 5,6,7-trimethoxy-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate
• Authors of publication: Gültekin, Zeynep; Frey, Wolfgang; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o576
• a: 10.476 ± 0.002 Å
• b: 16.552 ± 0.004 Å
• c: 20.238 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3509.2 ± 1.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1433
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.156
• 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