Information card for entry 1550758

Structure parameters

• Formula: C35 H82 B4 N6 S4 Si4
• Calculated formula: C35 H82 B4 N6 S4 Si4
• Title of publication: Synthesis of Unsymmetrical B2E2 and B2E3 Heterocycles by Borylene Insertion into Boradichalcogeniranes
• Authors of publication: Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Rempel, Anna; Hagspiel, Stephan; Braunschweig, Holger
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 9.1005 ± 0.001 Å
• b: 11.8019 ± 0.0013 Å
• c: 12.4035 ± 0.0013 Å
• α: 80.466 ± 0.003°
• β: 84.795 ± 0.003°
• γ: 86.977 ± 0.004°
• Cell volume: 1307.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No