Information card for entry 4518666

Structure parameters

• Formula: C23 H29 N O2
• Calculated formula: C23 H29 N O2
• Title of publication: Oxidative Three-Component Carboamination of Vinylarenes with Alkylboronic Acids
• Authors of publication: Gockel, Samuel N.; Lee, SangHyun; Gay, Brittany L.; Hull, Kami L.
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 5166 - 5171
• a: 8.374 ± 0.003 Å
• b: 10.255 ± 0.004 Å
• c: 12.556 ± 0.005 Å
• α: 82.813 ± 0.012°
• β: 70.937 ± 0.011°
• γ: 72.094 ± 0.015°
• Cell volume: 969.4 ± 0.7 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No