Information card for entry 7133482

Structure parameters

• Formula: C13 H15 N O4
• Calculated formula: C13 H15 N O4
• Title of publication: Organo-cation catalyzed enantioselective α-hydroxylation of pyridinone-fused lactones: asymmetric synthesis of SN-38 and irinotecan.
• Authors of publication: Tian, Jin-Rui; Qiao, Yu-Hao; Zhuang, Qing-Bo; Fan, Rong; Li, Zhen; Zhang, Xiao-Ming; Zhang, Fu-Min; Tu, Yong-Qiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 73
• Pages of publication: 9954 - 9957
• a: 7.5054 ± 0.0002 Å
• b: 10.0086 ± 0.0002 Å
• c: 8.5104 ± 0.0002 Å
• α: 90°
• β: 110.518 ± 0.002°
• γ: 90°
• Cell volume: 598.73 ± 0.03 ų
• Cell temperature: 302.44 ± 0.1 K
• Ambient diffraction temperature: 302.44 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No