Information card for entry 7134522

Structure parameters

• Chemical name: 1
• Formula: C22 H28 N2 O5 S
• Calculated formula: C22 H28 N2 O5 S
• Title of publication: Dearomatizative aminoetherification and diamination of indoles enabled by photochemical nitrene transfer reactions
• Authors of publication: Zhang, Li-Hua; Xie, Yang; Xuan, Jun
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 47
• Pages of publication: 8528 - 8531
• a: 10.0397 ± 0.0003 Å
• b: 10.2947 ± 0.0002 Å
• c: 11.3136 ± 0.0004 Å
• α: 84.709 ± 0.002°
• β: 76.197 ± 0.003°
• γ: 89.722 ± 0.002°
• Cell volume: 1130.54 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.0539
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No