Information card for entry 8107447

Structure parameters

• Formula: C21 H23 N5 O6
• Calculated formula: C21 H23 N5 O6
• Title of publication: One-pot synthesis and crystal structure of diethyl 2,6-dimethyl-4-(1-(2-nitrophenyl)-1H-1,2,3-triazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate, C21H23N5O6
• Authors of publication: Konovalova, Irina S.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Reiss, Guido J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 381 - 384
• a: 8.4861 ± 0.0004 Å
• b: 16.3198 ± 0.0008 Å
• c: 15.8521 ± 0.0008 Å
• α: 90°
• β: 97.605 ± 0.005°
• γ: 90°
• Cell volume: 2176.07 ± 0.19 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 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: 0.0642
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No