Information card for entry 1550584

Structure parameters

• Chemical name: Diethyl 4-(1<i>H</i>-indol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C21 H24 N2 O4
• Calculated formula: C21 H24 N2 O4
• SMILES: N1C(=C(C(C(=C1C)C(=O)OCC)c1c[nH]c2ccccc12)C(=O)OCC)C
• Title of publication: Diethyl 4-(1<i>H</i>-indol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Lee, Ji Hye; Koh, Dongsoo
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 2
• Pages of publication: x190193
• a: 10.6258 ± 0.0005 Å
• b: 10.2217 ± 0.0005 Å
• c: 18.0993 ± 0.0008 Å
• α: 90°
• β: 90.798 ± 0.002°
• γ: 90°
• Cell volume: 1965.64 ± 0.16 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1074
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes