Information card for entry 4133001

Structure parameters

• Formula: C18 H34 B2 N4 Se2
• Calculated formula: C18 H34 B2 N4 Se2
• SMILES: [B]1([Se][B]([Se]1)(C(C)(C)C)=C1N(C=CN1C)C)(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: 8.085 ± 0.002 Å
• b: 8.208 ± 0.003 Å
• c: 9.845 ± 0.003 Å
• α: 108.77 ± 0.02°
• β: 100.22 ± 0.02°
• γ: 108.1 ± 0.02°
• Cell volume: 559.3 ± 0.3 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: 0.0549
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.483
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No