Information card for entry 1559052

Structure parameters

• Formula: C37 H65 B2 N5
• Calculated formula: C37 H65 B2 N5
• SMILES: N1(C2CCCCC2)/C(=N\C2CCCCC2)C2(N(c3c(cccc3C(C)C)C(C)C)C(CC2(C)C)(C)C)B1B(N(C)C)N(C)C
• 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: 9.71 ± 0.002 Å
• b: 11.4 ± 0.002 Å
• c: 18.312 ± 0.004 Å
• α: 88.07 ± 0.005°
• β: 79.88 ± 0.005°
• γ: 65.914 ± 0.005°
• Cell volume: 1820.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0959
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1242
• 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: No
• Has Fobs: No