Information card for entry 1575614

Structure parameters

• Formula: C24 H21 N O
• Calculated formula: C24 H21 N O
• 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: 8.96038 ± 0.00018 Å
• b: 9.96982 ± 0.00017 Å
• c: 11.70333 ± 0.00014 Å
• α: 104.966 ± 0.0012°
• β: 102.014 ± 0.0015°
• γ: 111.377 ± 0.0018°
• Cell volume: 885.86 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No