Information card for entry 1572057

Structure parameters

• Formula: C30 H29 N O2
• Calculated formula: C30 H29 N O2
• SMILES: O(C(=O)c1c(c2c3CC(c4c(cccc4)c3ncc2)(C)C)c2ccccc2cc1)C(C)(C)C
• 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: 8.15719 ± 0.00019 Å
• b: 11.2106 ± 0.0002 Å
• c: 27.1349 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2481.41 ± 0.09 ų
• Cell temperature: 291.19 ± 0.1 K
• Ambient diffraction temperature: 291.19 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.146
• 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