Information card for entry 7120917

Structure parameters

• Formula: C21 H17 N3 O
• Calculated formula: C21 H17 N3 O
• SMILES: n1(N(c2ccccn2)C)c(=O)c2c(cc1c1ccccc1)cccc2
• Title of publication: 2-(1-Methylhydrazinyl)pyridine as a reductively removable directing group in a cobalt-catalyzed C(sp²)-H bond alkenylation/annulation cascade.
• Authors of publication: Zhai, Shengxian; Qiu, Shuxian; Chen, Xiaoming; Wu, Jiang; Zhao, Hua; Tao, Cheng; Li, Yun; Cheng, Bin; Wang, Huifei; Zhai, Hongbin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 98 - 101
• a: 5.9781 ± 0.0015 Å
• b: 12.919 ± 0.002 Å
• c: 22.346 ± 0.004 Å
• α: 90°
• β: 92.713 ± 0.005°
• γ: 90°
• Cell volume: 1723.9 ± 0.6 ų
• Cell temperature: 566 ± 2 K
• Ambient diffraction temperature: 566 ± 2 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: 0.1244
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2566
• Weighted residual factors for all reflections included in the refinement: 0.3197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.409
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No