Information card for entry 1569544

Structure parameters

• Formula: C30 H31 N O8 S
• Calculated formula: C30 H31 N O8 S
• Title of publication: Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.
• Authors of publication: Lu, Licheng; Lu, Ping
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 31
• Pages of publication: 8355 - 8359
• a: 12.6318 ± 0.0001 Å
• b: 7.1496 ± 0.0001 Å
• c: 15.6842 ± 0.0001 Å
• α: 90°
• β: 101.237 ± 0.001°
• γ: 90°
• Cell volume: 1389.32 ± 0.02 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No