Information card for entry 4038161

Structure parameters

• Formula: C33 H30 N2 O4 S2
• Calculated formula: C33 H30 N2 O4 S2
• Title of publication: C-H Sulfonylation via 1,3-Rearrangement of Sulfonyl Group in N-protected 3-Bissulfonimidoindole Derivatives Using Fluorine Reagent.
• Authors of publication: Watanabe, Kazuhiro; Moriyama, Katsuhiko
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 13.1147 ± 0.0005 Å
• b: 22.827 ± 0.0008 Å
• c: 9.7575 ± 0.0003 Å
• α: 90°
• β: 98.306 ± 0.002°
• γ: 90°
• Cell volume: 2890.46 ± 0.17 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No