Information card for entry 7032271

Structure parameters

• Formula: C19 H39 B N2 O
• Calculated formula: C19 H39 B N2 O
• SMILES: c1n(cc[n+]1CC(C(C)(C)C)O[B](CC)(CC)CC)C(C)(C)C
• Title of publication: Protonolysis and thermolysis reactions of functionalised NHC-carbene boranes and borates.
• Authors of publication: Arnold, Polly L.; Bell, Nicola L.; Marr, Isobel H.; She, Siyi; Hamilton, Jonathan; Fraser, Craig; Wang, Kai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 15419 - 15428
• a: 10.079 ± 0.0007 Å
• b: 13.6684 ± 0.0007 Å
• c: 15.3802 ± 0.0006 Å
• α: 90°
• β: 92.472 ± 0.005°
• γ: 90°
• Cell volume: 2116.9 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.1412
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.2345
• Weighted residual factors for all reflections included in the refinement: 0.3115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No