Information card for entry 7120737

Structure parameters

• Formula: C32 H55 B2 N O4
• Calculated formula: C32 H55 B2 N O4
• SMILES: O1B(C2(C(CC(N2c2c(cccc2C(C)C)C(C)C)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C)OC(C1(C)C)(C)C
• Title of publication: Facile Insertion of a Cyclic Alkyl(Amino) Carbene Carbon into the B-B Bond of Diboron(4) Reagents
• Authors of publication: Eichhorn, Antonius; Kuehn, Laura; Marder, Todd B.; Radius, Udo
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 10.8403 ± 0.0014 Å
• b: 10.8459 ± 0.0014 Å
• c: 15.907 ± 0.002 Å
• α: 91.467 ± 0.004°
• β: 103.418 ± 0.004°
• γ: 116.778 ± 0.004°
• Cell volume: 1605.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0763
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No