Information card for entry 4132999

Structure parameters

• Formula: C16 H22 B Mn N2 O2 Te2
• Calculated formula: C16 H22 B Mn N2 O2 Te2
• SMILES: [Te]1[B]([Te]1[Mn]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)(=C1N(C=CN1C)C)C(C)(C)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: 9.051 ± 0.0013 Å
• b: 9.9167 ± 0.0012 Å
• c: 21.724 ± 0.004 Å
• α: 90°
• β: 90.139 ± 0.007°
• γ: 90°
• Cell volume: 1949.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0168
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.0383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No