Information card for entry 2230249

Structure parameters

• Chemical name: Propan-1-aminium 3,4,5,6-tetrabromo-2-(methoxycarbonyl)benzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Formula: C15 H20 Br4 N2 O5
• Calculated formula: C15 H20 Br4 N2 O5
• Title of publication: Propan-1-aminium 3,4,5,6-tetrabromo-2-(methoxycarbonyl)benzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Authors of publication: Li, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1356
• a: 11.8964 ± 0.0011 Å
• b: 10.5198 ± 0.001 Å
• c: 17.3743 ± 0.0017 Å
• α: 90°
• β: 93.188 ± 0.001°
• γ: 90°
• Cell volume: 2171 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes