Information card for entry 4038469

Structure parameters

• Formula: C16 H15 N O5 S2
• Calculated formula: C16 H15 N O5 S2
• Title of publication: Copper-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Imino Esters to Unsaturated Sultones.
• Authors of publication: Furuya, Shohei; Kanemoto, Kazuya; Fukuzawa, Shin-Ichi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 8.5122 ± 0.0015 Å
• b: 9.4305 ± 0.0015 Å
• c: 20.019 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1607 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No