Information card for entry 1559054

Structure parameters

• Formula: C30 H48 B2 N3 Te
• Calculated formula: C30 H48 B2 N3 Te
• SMILES: [Te](c1ccccc1)/[B](=C1\N(c2c(cccc2C(C)C)C(C)C)C(C)(C)CC1(C)C)B(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: 9.5211 ± 0.001 Å
• b: 15.981 ± 0.0018 Å
• c: 20.203 ± 0.002 Å
• α: 91.628 ± 0.003°
• β: 90.566 ± 0.003°
• γ: 91.556 ± 0.003°
• Cell volume: 3071.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No