Information card for entry 1505838

Structure parameters

• Formula: C23 H25 F2 N O5 S
• Calculated formula: C23 H25 F2 N O5 S
• SMILES: S(=O)(=O)(Cc1ccccc1)[C@H]1[C@@H](c2cc(F)cc(F)c2N(C1=O)C)CC(=O)OC(C)(C)C.S(=O)(=O)(Cc1ccccc1)[C@@H]1[C@H](c2cc(F)cc(F)c2N(C1=O)C)CC(=O)OC(C)(C)C
• Title of publication: Solid-phase approach to tetrahydroquinolones using a sulfur linker cleaved by SmI2.
• Authors of publication: Turner, Kristy L.; Baker, Thomas M.; Islam, Saidul; Procter, David J.; Stefaniak, Mark
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 329 - 332
• a: 17.2061 ± 0.0008 Å
• b: 16.3253 ± 0.0008 Å
• c: 16.2379 ± 0.0008 Å
• α: 90°
• β: 102.691 ± 0.001°
• γ: 90°
• Cell volume: 4449.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No