Information card for entry 7120738

Structure parameters

• Formula: C32 H39 B2 N O4
• Calculated formula: C32 H39 B2 N O4
• SMILES: O1B(Oc2c1cccc2)C1(N(C(CC1(C)C)(C)C)c1c(cccc1C(C)C)C(C)C)B1Oc2c(O1)cccc2
• 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: 14.325 ± 0.002 Å
• b: 12.0505 ± 0.0018 Å
• c: 17.419 ± 0.003 Å
• α: 90°
• β: 113.316 ± 0.004°
• γ: 90°
• Cell volume: 2761.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0481
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No