Information card for entry 1575615

Structure parameters

• Formula: C23 H17 N O2
• Calculated formula: C23 H17 N O2
• Title of publication: Ir(III)-catalyzed selective C-H acylmethylation and dicarbonylation of indolizines with β-ketosulfoxonium ylides.
• Authors of publication: Yang, Zi-Feng; Meng, Yuan-Jie; Liu, Xin-Xing; Wei, Jiaohang; Wu, Wen-Rong; Liu, Xiang; Zhang, Shang-Shi; Feng, Pengju
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 79
• Pages of publication: 15441 - 15444
• a: 6.4543 ± 0.0002 Å
• b: 9.7225 ± 0.0004 Å
• c: 28.3302 ± 0.0009 Å
• α: 90°
• β: 90.856 ± 0.003°
• γ: 90°
• Cell volume: 1777.58 ± 0.11 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 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: 0.0749
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.2002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No