Information card for entry 4117681

Structure parameters

• Formula: C16 H25 B N2 O3
• Calculated formula: C16 H25 B N2 O3
• SMILES: O(c1cc(c(/C=N/N(C)C)cc1)B1OC(C(O1)(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: 9.2419 ± 0.0005 Å
• b: 9.6877 ± 0.0006 Å
• c: 10.6092 ± 0.0006 Å
• α: 78.236 ± 0.001°
• β: 85.088 ± 0.001°
• γ: 68.282 ± 0.0009°
• Cell volume: 863.86 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0616
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No