Information card for entry 4133003

Structure parameters

• Formula: C18 H34 B2 N4 S2
• Calculated formula: C18 H34 B2 N4 S2
• SMILES: [B]1(S[B](S1)(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: 8.0243 ± 0.002 Å
• b: 8.053 ± 0.003 Å
• c: 9.721 ± 0.004 Å
• α: 105.103 ± 0.009°
• β: 104.95 ± 0.02°
• γ: 106.457 ± 0.018°
• Cell volume: 543 ± 0.4 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: 0.0431
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No