Information card for entry 4127865

Structure parameters

• Formula: C28 H22 B2 N4
• Calculated formula: C28 H22 B2 N4
• SMILES: C(=Cc1ccccc1)(B1Nc2cccc3cccc(N1)c23)B1Nc2cccc3cccc(N1)c23
• Title of publication: Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.
• Authors of publication: Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 43
• Pages of publication: 17042 - 17047
• a: 6.0959 ± 0.0007 Å
• b: 16.8166 ± 0.0018 Å
• c: 21.65 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2219.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No