Information card for entry 8105541

Structure parameters

• Formula: C19 H21 Br2 N O5
• Calculated formula: C19 H21 Br2 N O5
• Title of publication: Crystal structural of diethyl 4-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, C19H21Br2NO5
• Authors of publication: Zheng, Feng; Quan, Ji-Shu; Cui, Xiang-Dan; Jin, Xue-Feng; Yin, Xue-Zhe
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 59 - 60
• a: 8.657 ± 0.005 Å
• b: 17.15 ± 0.005 Å
• c: 13.889 ± 0.004 Å
• α: 90°
• β: 104.807 ± 0.015°
• γ: 90°
• Cell volume: 1993.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1307
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No