Information card for entry 7122042

Structure parameters

• Formula: C40 H56 B N3
• Calculated formula: C40 H56 B N3
• Title of publication: Intriguing migrations in transient iminoborane adducts: two new pathways to aminoboranes.
• Authors of publication: Winner, Lena; Bélanger-Chabot, Guillaume; Celik, Mehmet Ali; Schäfer, Marius; Braunschweig, Holger
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 67
• Pages of publication: 9349 - 9351
• a: 10.9215 ± 0.0007 Å
• b: 18.1709 ± 0.0013 Å
• c: 18.1668 ± 0.0012 Å
• α: 90°
• β: 99.987 ± 0.002°
• γ: 90°
• Cell volume: 3550.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0822
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No