Information card for entry 7160973

Structure parameters

• Formula: C29 H22 Br N3 O6 S
• Calculated formula: C29 H22 Br N3 O6 S
• Title of publication: Synthesis of 4-amino-7-oxyindoles <i>via</i> dearomatization of 4-alkyl-2-alkynylanilines and dual fragment incorporation with <i>O</i>-benzoylhydroxylamines.
• Authors of publication: Wu, Zhengping; Fan, Renhua; He, Qiuqin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 5
• Pages of publication: 989 - 994
• a: 10.8071 ± 0.0012 Å
• b: 11.494 ± 0.0012 Å
• c: 11.7684 ± 0.0012 Å
• α: 81.247 ± 0.004°
• β: 67.573 ± 0.003°
• γ: 79.206 ± 0.004°
• Cell volume: 1322.1 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No