Information card for entry 7160106

Structure parameters

• Formula: C28 H25 N O3
• Calculated formula: C28 H25 N O3
• Title of publication: Formation of cyclopenta[c]quinolines through visible-light-induced photoredox cascade bis-annulations of 1,7-enynes with sulfoxonium ylides
• Authors of publication: Xian, Ning; Deng, Guo-Jun; Huang, Huawen
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 37
• Pages of publication: 7618 - 7622
• a: 13.1825 ± 0.0004 Å
• b: 8.4357 ± 0.0002 Å
• c: 19.1184 ± 0.0006 Å
• α: 90°
• β: 95.302 ± 0.001°
• γ: 90°
• Cell volume: 2116.94 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0438
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No