Information card for entry 4130348

Structure parameters

• Common name: YX-3-217B
• Chemical name: hartwig106
• Formula: C21 H30 B Cl3 O4
• Calculated formula: C21 H30 B Cl3 O4
• SMILES: c1(c(cc(cc1Cl)Cl)Cl)C(=O)OCC[C@@H](CC(C)(C)C)B1OC(C(C)(C)O1)(C)C
• Title of publication: Diverse Asymmetric Hydrofunctionalization of Aliphatic Internal Alkenes through Catalytic Regioselective Hydroboration.
• Authors of publication: Xi, Yumeng; Hartwig, John F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 21
• Pages of publication: 6703 - 6706
• a: 9.8418 ± 0.0005 Å
• b: 11.238 ± 0.0006 Å
• c: 12.2846 ± 0.0007 Å
• α: 101.925 ± 0.001°
• β: 109.904 ± 0.001°
• γ: 94.519 ± 0.001°
• Cell volume: 1233.44 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0952
• 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