Information card for entry 1516712

Structure parameters

• Formula: C28 H27 N O3 S
• Calculated formula: C28 H27 N O3 S
• SMILES: S(=O)(=O)(n1c(cc2c(c(ccc12)C)CC(=O)c1ccc(cc1)C)C1CC1)c1ccc(cc1)C
• Title of publication: One-Pot Synthesis of Highly Substituted 4-Acetonylindoles via Sequential Dearomatization and Silver-Catalyzed Domino Reaction.
• Authors of publication: Feng, Xin; Wang, Huiqing; Yang, Bo; Fan, Renhua
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 13
• Pages of publication: 3600 - 3603
• a: 12.055 ± 0.005 Å
• b: 8.557 ± 0.004 Å
• c: 23.454 ± 0.01 Å
• α: 90°
• β: 90.843 ± 0.006°
• γ: 90°
• Cell volume: 2419.1 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1101
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2028
• Weighted residual factors for all reflections included in the refinement: 0.241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No