Information card for entry 7123018

Structure parameters

• Common name: 4
• Formula: C33 H49 B N2
• Calculated formula: C33 H49 B N2
• Title of publication: 9-Borabicyclo[3.3.1]nonane: a metal-free catalyst for the hydroboration of carbodiimides
• Authors of publication: Ramos, Alberto; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; García-Vivó, Daniel
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 15.1308 ± 0.0017 Å
• b: 10.9346 ± 0.0011 Å
• c: 19.7707 ± 0.0018 Å
• α: 90°
• β: 111.704 ± 0.011°
• γ: 90°
• Cell volume: 3039.2 ± 0.6 ų
• Cell temperature: 136 ± 20 K
• Ambient diffraction temperature: 136 ± 20 K
• Number of distinct elements: 4
• 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: 0.0823
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1998
• Weighted residual factors for all reflections included in the refinement: 0.2201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No