Information card for entry 7132808

Structure parameters

• Formula: C26 H23.62 Cl0.38 N2 O3 S
• Calculated formula: C26 H23.628 Cl0.372 N2 O3 S
• Title of publication: Copper-catalyzed intramolecular dearomative aza-Wacker reaction of indole.
• Authors of publication: Wang, Bi; Liang, Ren-Xiao; Shen, Zhen-Lu; Jia, Yi-Xia
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 28
• Pages of publication: 3858 - 3861
• a: 10.908 ± 0.004 Å
• b: 15.648 ± 0.006 Å
• c: 14.141 ± 0.005 Å
• α: 90°
• β: 112.321 ± 0.01°
• γ: 90°
• Cell volume: 2232.8 ± 1.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• 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: 0.0514
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No