Information card for entry 7157836

Structure parameters

• Formula: C22 H21 N O2
• Calculated formula: C22 H21 N O2
• Title of publication: Copper-catalyzed one-pot amine-alkylation of quinones with amines and alkanes.
• Authors of publication: Yang, Jian; Wang, Bei; Zhang, Yuankang; Zhang, Shuqing; He, Shuai; Shi, Zhi-Chuan; Wang, Ji-Yu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 988 - 992
• a: 9.9597 ± 0.001 Å
• b: 15.095 ± 0.0012 Å
• c: 12.0193 ± 0.0012 Å
• α: 90°
• β: 108.577 ± 0.011°
• γ: 90°
• Cell volume: 1712.9 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No