Information card for entry 1562388

Structure parameters

• Formula: C31 H31 N3 O6 S
• Calculated formula: C31 H31 N3 O6 S
• Title of publication: Catalytic (3+2) Annulation of Donor-Acceptor Aminocyclopropane Monoesters and Indoles
• Authors of publication: Pirenne, Vincent; Robert, Emma G. L.; Waser, Jerome
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 20.0965 ± 0.0008 Å
• b: 5.88104 ± 0.00018 Å
• c: 26.5867 ± 0.001 Å
• α: 90°
• β: 98.87 ± 0.004°
• γ: 90°
• Cell volume: 3104.7 ± 0.2 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1829
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No