Information card for entry 7123017

Structure parameters

• Common name: 1c
• Formula: C15 H31 B N2 O2
• Calculated formula: C15 H31 B N2 O2
• 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: 6.0523 ± 0.0001 Å
• b: 15.6534 ± 0.0004 Å
• c: 18.96 ± 0.0004 Å
• α: 90°
• β: 97.07 ± 0.002°
• γ: 90°
• Cell volume: 1782.6 ± 0.07 ų
• Cell temperature: 154.9 ± 0.7 K
• Ambient diffraction temperature: 154.9 ± 0.7 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: 0.06
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No