Information card for entry 4128368

Structure parameters

• Formula: C15 H17 N O
• Calculated formula: C15 H17 N O
• SMILES: Oc1c([C@@H](N(C)C)c2ccccc2)cccc1
• Title of publication: Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Asymmetric C(sp²)-H Borylation of Diarylmethylamines.
• Authors of publication: Zou, Xiaoliang; Zhao, Haonan; Li, Yinwu; Gao, Qian; Ke, Zhuofeng; Senmiao Xu, ?
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 13
• Pages of publication: 5334 - 5342
• a: 7.4113 ± 0.0002 Å
• b: 9.563 ± 0.0002 Å
• c: 18.357 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1301.04 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0383
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No