Information card for entry 7116380

Structure parameters

• Common name: PinBIM
• Formula: C37 H50 B N O2
• Calculated formula: C37 H50 B N O2
• SMILES: O1C(C(OB1/C=N/c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C)C)(C)C
• 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: 13.4374 ± 0.0011 Å
• b: 14.3288 ± 0.0013 Å
• c: 18.5873 ± 0.0014 Å
• α: 90°
• β: 105.742 ± 0.003°
• γ: 90°
• Cell volume: 3444.6 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No