Information card for entry 7132468

Structure parameters

• Formula: C33 H29 F N2 O5 S2
• Calculated formula: C33 H29 F N2 O5 S2
• SMILES: S(=O)(=O)(C(S(=O)(=O)c1ccccc1)(F)CC(c1ccc(cc1)C)CC(=O)Nc1c2ncccc2ccc1)c1ccccc1
• Title of publication: Palladium-catalyzed carbomonofluoromethylation of unactivated alkenes: rapid access to γ-monofluoromethyl carboxylic acid derivatives.
• Authors of publication: Liu, Xiao-Li; Ji, Shun-Jun; Cai, Zhong-Jian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 6
• Pages of publication: 730 - 733
• a: 8.3017 ± 0.0004 Å
• b: 13.9812 ± 0.0007 Å
• c: 14.6108 ± 0.0007 Å
• α: 112.009 ± 0.002°
• β: 98.334 ± 0.002°
• γ: 104.508 ± 0.002°
• Cell volume: 1467.25 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0959
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No