Information card for entry 1572056

Structure parameters

• Formula: C21 H19 N
• Calculated formula: C21 H19 N
• SMILES: n1ccc(c2c1c1ccccc1C(C2)(C)C)c1ccccc1
• Title of publication: 1,5-Hydrogen atom transfer of α-iminyl radical cations: a new platform for relay annulation for pyridine derivatives and axially chiral heterobiaryls.
• Authors of publication: Zhou, Yu-Qiang; He, Kui-Cheng; Zheng, Wei-Hao; Lv, Jing-Fang; He, Shi-Mei; Yu, Ning; Yang, Yun-Bo; Liu, Lv-Yan; Jiang, Kun; Wei, Ye
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 7502 - 7514
• a: 10.2995 ± 0.0004 Å
• b: 25.7122 ± 0.0017 Å
• c: 12.4585 ± 0.0016 Å
• α: 90°
• β: 104.672 ± 0.007°
• γ: 90°
• Cell volume: 3191.7 ± 0.5 ų
• Cell temperature: 290.19 ± 0.1 K
• Ambient diffraction temperature: 290.19 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0463
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No