Information card for entry 7120918

Structure parameters

• Formula: C27 H21 N3 O
• Calculated formula: C27 H21 N3 O
• SMILES: O=c1n(N(c2ncccc2)C)c(c2ccccc2)c(c2c1cccc2)c1ccccc1
• 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: 11.047 ± 0.006 Å
• b: 20.569 ± 0.009 Å
• c: 10.343 ± 0.006 Å
• α: 90°
• β: 114.101 ± 0.017°
• γ: 90°
• Cell volume: 2145 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1069
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.2497
• Weighted residual factors for all reflections included in the refinement: 0.2917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No