Information card for entry 1559053

Structure parameters

• Formula: C27 H52 B2 N3 P
• Calculated formula: C27 H52 B2 N3 P
• Title of publication: Phosphinoborylenes as stable sources of fleeting borylenes
• Authors of publication: Pranckevicius, Conor; Weber, Marco; Krummenacher, Ivo; Phukan, Ashwini K.; Braunschweig, Holger
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 19.3664 ± 0.001 Å
• b: 9.5507 ± 0.0004 Å
• c: 15.9131 ± 0.0008 Å
• α: 90°
• β: 92.197 ± 0.002°
• γ: 90°
• Cell volume: 2941.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.076
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No