Information card for entry 1568936

Structure parameters

• Chemical name: 9-(Pyrrolidinium-1-yl)-9-boranuidabicyclo[3.3.1]nonane
• Formula: C12 H24 B N
• Calculated formula: C12 H24 B N
• Title of publication: 9-(Pyrrolidinium-1-yl)-9-boranuidabicyclo[3.3.1]nonane
• Authors of publication: Herbig, Marcus; Böhme, Uwe
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 4
• a: 10.0432 ± 0.0005 Å
• b: 12.7045 ± 0.0006 Å
• c: 14.3846 ± 0.0007 Å
• α: 81.305 ± 0.004°
• β: 84.313 ± 0.004°
• γ: 82.068 ± 0.004°
• Cell volume: 1791.19 ± 0.15 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No