Information card for entry 7135023

Structure parameters

• Formula: C21 H17 N O2
• Calculated formula: C21 H17 N O2
• Title of publication: Auto-oxidation-driven vicinal C(sp³)-H desaturative cyclization of tertiary alkylamines for the synthesis of pyrido[3,2-<i>c</i>]coumarins.
• Authors of publication: Bai, Fang; Liu, Pengpeng; Xu, Hongyan; Li, Mengjie; Liu, Binghui; Xu, Miaomiao; Gao, Qinghe
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 86
• Pages of publication: 16818 - 16821
• a: 15.204 ± 0.014 Å
• b: 6.943 ± 0.007 Å
• c: 15.282 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1613 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No