Information card for entry 1575671

Structure parameters

• Formula: C27 H36 B I3 N2
• Calculated formula: C27 H36 B I3 N2
• Title of publication: Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.
• Authors of publication: Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 43
• Pages of publication: 20329 - 20343
• a: 16.819 ± 0.0009 Å
• b: 12.8372 ± 0.0005 Å
• c: 16.3668 ± 0.0007 Å
• α: 90°
• β: 118.691 ± 0.006°
• γ: 90°
• Cell volume: 3099.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No