Information card for entry 2228022

Structure parameters

• Chemical name: Dimethyl 2,6,8-trimethyl-1,2-dihydroquinoline-2,4-dicarboxylate
• Formula: C16 H19 N O4
• Calculated formula: C16 H19 N O4
• SMILES: O=C(OC)C1=CC(Nc2cc(cc(c12)C)C)(C)C(=O)OC
• Title of publication: Dimethyl 2,6,8-trimethyl-1,2-dihydroquinoline-2,4-dicarboxylate
• Authors of publication: Gültekin, Zeynep; Frey, Wolfgang; Tercan, Barış; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2891 - o2892
• a: 7.7944 ± 0.0005 Å
• b: 23.4621 ± 0.0008 Å
• c: 8.2551 ± 0.0005 Å
• α: 90°
• β: 93.729 ± 0.005°
• γ: 90°
• Cell volume: 1506.44 ± 0.14 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes