Information card for entry 7158513

Structure parameters

• Formula: C24 H18 F N O4 S
• Calculated formula: C24 H18 F N O4 S
• SMILES: S(=O)(=O)(N1Cc2ccccc2C2(C1=O)CC(=O)c1c2cccc1F)c1ccc(cc1)C
• Title of publication: Rh(III)-Catalyzed C-H bond activation/annulation reactions of arylacyl ammonium salts with 4-diazoisochroman-3-imines and 4-diazoisoquinolin-3-ones.
• Authors of publication: Suleman, Muhammad; Qi, Minghui; Xie, Jianwei; Lu, Ping; Wang, Yanguang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 9
• Pages of publication: 1900 - 1906
• a: 7.1439 ± 0.0014 Å
• b: 10.734 ± 0.002 Å
• c: 14.451 ± 0.003 Å
• α: 72.259 ± 0.009°
• β: 81.41 ± 0.009°
• γ: 72.811 ± 0.01°
• Cell volume: 1006.2 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 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: 0.0337
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No