Information card for entry 1555492

Structure parameters

• Formula: C16 H17 N3 O3
• Calculated formula: C16 H17 N3 O3
• Title of publication: Cobalt(II)-Catalyzed C-H Amination of Arenes with Simple Alkylamines.
• Authors of publication: Zhang, Lin-Bao; Zhang, Shou-Kun; Wei, Donghui; Zhu, Xinju; Hao, Xin-Qi; Su, Jian-Hang; Niu, Jun-Long; Song, Mao-Ping
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1318 - 1321
• a: 8.6512 ± 0.0006 Å
• b: 13.1178 ± 0.0007 Å
• c: 13.2085 ± 0.0009 Å
• α: 94.755 ± 0.005°
• β: 97.921 ± 0.006°
• γ: 102.375 ± 0.005°
• Cell volume: 1440.34 ± 0.17 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 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: 0.054
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No