Information card for entry 4117680

Structure parameters

• Formula: C21 H34 B2 N2 O4
• Calculated formula: C21 H34 B2 N2 O4
• SMILES: O1C(C(OB1c1c(/C=N/N(C)C)c(ccc1)B1OC(C(O1)(C)C)(C)C)(C)C)(C)C
• Title of publication: Hydrazone as the directing Group for Ir-Catalyzed Arene Diborylations and Sequential Functionalizations
• Authors of publication: Abel Ros; Rocío López-Rodríguez; Beatriz Estepa; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 4573 - 4576
• a: 13.673 ± 0.003 Å
• b: 14.561 ± 0.003 Å
• c: 24.254 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4828.8 ± 1.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No