Information card for entry 7705788

Structure parameters

• Formula: C16 H25 B F3 N O3 S
• Calculated formula: C16 H25 B F3 N O3 S
• Title of publication: Insertion reactions of the C-B-N-substituted borinium cation [MesBNⁱPr₂]<sup/>.
• Authors of publication: Bamford, Karlee L.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 48
• Pages of publication: 17571 - 17577
• a: 8.3324 ± 0.0007 Å
• b: 14.1207 ± 0.0013 Å
• c: 16.7259 ± 0.0015 Å
• α: 90°
• β: 90.053 ± 0.005°
• γ: 90°
• Cell volume: 1968 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 7
• 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: 0.1448
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No