Information card for entry 7032276

Structure parameters

• Formula: C24 H41 B N2 O
• Calculated formula: C24 H41 B N2 O
• SMILES: C1(N(CCN1c1c(cc(cc1C)C)C)CC(=O)C(C)(C)C)=[B](CC)(CC)CC
• 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: 9.234 ± 0.0019 Å
• b: 11.811 ± 0.003 Å
• c: 12.577 ± 0.003 Å
• α: 69.63 ± 0.02°
• β: 70.562 ± 0.019°
• γ: 76.389 ± 0.019°
• Cell volume: 1201.5 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.1656
• Residual factor for significantly intense reflections: 0.102
• Weighted residual factors for significantly intense reflections: 0.2788
• Weighted residual factors for all reflections included in the refinement: 0.3345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No