Information card for entry 7241216

Structure parameters

• Chemical name: 4d
• Formula: C37 H39 N O5 S
• Calculated formula: C37 H39 N O5 S
• SMILES: S(=O)(=O)(n1c(C(=O)c2ccc(OC)cc2)c(c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c2c1cccc2)c1ccc(cc1)C
• Title of publication: One-pot synthesis of indoles and quinolinones from ortho-tosylaminophenyl-substituted para-quinone methides
• Authors of publication: Wang, Junwei; Pan, Xiang; Rong, Quanjin; Zhao, Lei; Zhao, Lin; Dai, Weichen; Zhao, Kun; Hu, Lihong
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 55
• Pages of publication: 33455 - 33460
• a: 17.14 ± 0.003 Å
• b: 18.38 ± 0.003 Å
• c: 12.352 ± 0.002 Å
• α: 90°
• β: 103.53 ± 0.003°
• γ: 90°
• Cell volume: 3783.3 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0678
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No