Information card for entry 1575486

Structure parameters

• Formula: C20 H17 N O5
• Calculated formula: C20 H17 N O5
• Title of publication: Iridium-catalyzed [(5+1)-1] annulation of pyridinium 1,4-zwitterionic thiolates and sulfoxonium ylides: a versatile platform to indolizines.
• Authors of publication: Fang, Sheng; Chen, Wang-Liang; Meng, Yuan-Jie; Zhang, Shang-Shi; Feng, Peng-Ju; Shu, Bing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 76
• Pages of publication: 14725 - 14728
• a: 7.9011 ± 0.0004 Å
• b: 8.6147 ± 0.0004 Å
• c: 12.0695 ± 0.0006 Å
• α: 88.211 ± 0.002°
• β: 79.574 ± 0.001°
• γ: 82.854 ± 0.001°
• Cell volume: 801.65 ± 0.07 ų
• Cell temperature: 112 K
• Ambient diffraction temperature: 112 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: 0.0437
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No