Information card for entry 7158587

Structure parameters

• Formula: C23 H22 N2 O6 S
• Calculated formula: C23 H22 N2 O6 S
• Title of publication: Base-controlled dearomative [3+2] cycloadditions between 3-nitro-indoles and fumaric acid amide esters
• Authors of publication: Tian, Heng-Zhi; Wu, Sheng-Feng; Zhuang, Guo-Wei; Lin, Guo-Qiang; Sun, Xing-Wen
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 9.9808 ± 0.0013 Å
• b: 10.3586 ± 0.0015 Å
• c: 11.4372 ± 0.0019 Å
• α: 105.673 ± 0.013°
• β: 95.539 ± 0.011°
• γ: 102.695 ± 0.012°
• Cell volume: 1095.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No