Information card for entry 7157210

Structure parameters

• Common name: 3g
• Formula: C36 H38 Cl N O4 S
• Calculated formula: C36 H38 Cl N O4 S
• Title of publication: Diastereoselective construction of 3-aryl-substituted indolines via annulation of in situ generated p-quinone methides
• Authors of publication: Zhao, Kun; Wang, Junwei; pan, xiang; Zhao, Lei; zhao, lin; Liu, Jian; zhi, ying; wang, ai; Hu, Lihong
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2019
• a: 13.1159 ± 0.0007 Å
• b: 10.7662 ± 0.0006 Å
• c: 23.776 ± 0.0012 Å
• α: 90°
• β: 102.7 ± 0.0009°
• γ: 90°
• Cell volume: 3275.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No