Information card for entry 4038940

Structure parameters

• Formula: C20 H21 N O2
• Calculated formula: C20 H21 N O2
• Title of publication: Mechanistic Insights into the FeCl₃-Catalyzed Oxidative Cross-Coupling of Phenols with 2-Aminonaphthalenes.
• Authors of publication: Vershinin, Vlada; Forkosh, Hagit; Ben-Lulu, Mor; Libman, Anna; Pappo, Doron
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 86
• Journal issue: 1
• Pages of publication: 79 - 90
• a: 9.9355 ± 0.0001 Å
• b: 17.2277 ± 0.0002 Å
• c: 10.3753 ± 0.0002 Å
• α: 90°
• β: 112.62 ± 0.002°
• γ: 90°
• Cell volume: 1639.29 ± 0.05 ų
• Cell temperature: 301.07 ± 0.1 K
• Ambient diffraction temperature: 301.07 ± 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: 0.0511
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No