Information card for entry 2237187

Structure parameters

• Chemical name: Ethyl 2,7,7-trimethyl-4-(1-methyl-1<i>H</i>-indol-3-yl)-5-oxo-1,4,5,6,7,8- hexahydroquinoline-3-carboxylate
• Formula: C24 H28 N2 O3
• Calculated formula: C24 H28 N2 O3
• SMILES: O=C1CC(CC2=C1C(C(=C(N2)C)C(=O)OCC)c1c2ccccc2n(c1)C)(C)C
• Title of publication: Ethyl 2,7,7-trimethyl-4-(1-methyl-1<i>H</i>-indol-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
• Authors of publication: Öztürk Yildirim, Sema; Butcher, Ray J.; Gündüz, Miyase Gözde; El-Khouly, Ahmed; Şimşek, Rahime; Şafak, Cihat
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o40 - o41
• a: 17.4656 ± 0.0004 Å
• b: 10.1883 ± 0.0002 Å
• c: 12.3465 ± 0.0003 Å
• α: 90°
• β: 106.806 ± 0.002°
• γ: 90°
• Cell volume: 2103.16 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0536
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes