Information card for entry 7117786

Structure parameters

• Formula: C20 H34 B2 N2
• Calculated formula: C20 H34 B2 N2
• SMILES: [n]1([B]2C3CCCC2CCC3)c(n(C)cc1)B1C2CCCC1CCC2
• Title of publication: Synthesis of a diboryl-N-heterocycle and its conversion to a bidentate cationic Lewis acid
• Authors of publication: Jeffrey M. Farrell; Douglas W. Stephan
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 14322
• a: 10.4675 ± 0.0005 Å
• b: 14.4066 ± 0.0008 Å
• c: 13.3847 ± 0.0007 Å
• α: 90°
• β: 112.212 ± 0.002°
• γ: 90°
• Cell volume: 1868.64 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 148.78 K
• Number of distinct elements: 4
• 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: 0.127
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No