Information card for entry 7238399

Structure parameters

• Formula: C13 H15 Cl2 N2 O4
• Calculated formula: C13 H15 Cl2 N2 O4
• Title of publication: KOH-catalyzed highly efficient aminohalogenation of β-nitrostyrenes with t-butyl N,N-dichlorocarbamate as nitrogen/halogen source
• Authors of publication: Mei, Haibo; Han, Jianlin; Li, Guigen; Pan, Yi
• Journal of publication: RSC Advances
• Year of publication: 2011
• Journal volume: 1
• Journal issue: 3
• Pages of publication: 429
• a: 5.7762 ± 0.0008 Å
• b: 9.6032 ± 0.0013 Å
• c: 28.672 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1590.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No