Information card for entry 4125298

Structure parameters

• Formula: C10 H11 B Cl N
• Calculated formula: C10 H11 B Cl N
• SMILES: ClB1c2c(N(C=C1C)C)cccc2
• Title of publication: Site-Selective and Stereoselective trans-Hydroboration of 1,3-Enynes Catalyzed by 1,4-Azaborine-Based Phosphine-Pd Complex.
• Authors of publication: Xu, Senmiao; Zhang, Yuanzhe; Li, Bo; Liu, Shih-Yuan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 44
• Pages of publication: 14566 - 14569
• a: 7.635 ± 0.0013 Å
• b: 9.2691 ± 0.0016 Å
• c: 14.887 ± 0.003 Å
• α: 89.64 ± 0.003°
• β: 79.774 ± 0.003°
• γ: 70.461 ± 0.003°
• Cell volume: 975.5 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No