Information card for entry 2203311

Structure parameters

• Chemical name: 2-Bromo-1,3-dipyrrolidin-1-ylpropane-1,3-dionate bromide
• Formula: C11 H18 Br2 N2 O2
• Calculated formula: C11 H18 Br2 N2 O2
• Title of publication: 2-Bromo-1,3-dipyrrolidin-1-ylpropane-1,3-dionate bromide
• Authors of publication: Jonathan D. Crane; Richard P. Bunce
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o414 - o415
• a: 13.4235 ± 0.0013 Å
• b: 12.9358 ± 0.001 Å
• c: 8.2935 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1440.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes