Information card for entry 4133002

Structure parameters

• Formula: C9 H17 B N2 Se
• Calculated formula: C9 H17 B N2 Se
• SMILES: [Se]=[B](C(C)(C)C)=C1N(C=CN1C)C
• Title of publication: A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.
• Authors of publication: Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 36
• Pages of publication: 11223 - 11226
• a: 12.404 ± 0.007 Å
• b: 7.679 ± 0.004 Å
• c: 12.8 ± 0.007 Å
• α: 90°
• β: 108.23 ± 0.04°
• γ: 90°
• Cell volume: 1158 ± 1.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No