Information card for entry 7116379

Structure parameters

• Common name: (9-BBN)BIM_H2O
• Formula: C39 H54 B N O
• Calculated formula: C39 H54 B N O
• SMILES: OB1C(Nc2c(cccc2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)C2CCCC1CCC2
• Title of publication: Frustrated Lewis pair behavior of monomeric (boryl)iminomethanes accessed from isocyanide 1,1-hydroboration
• Authors of publication: Brandon R. Barnett; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figuero
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 541
• a: 17.347 ± 0.002 Å
• b: 10.634 ± 0.0011 Å
• c: 19.7137 ± 0.0019 Å
• α: 90°
• β: 112.174 ± 0.004°
• γ: 90°
• Cell volume: 3367.6 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.1218
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.1893
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No