Information card for entry 1505840

Structure parameters

• Formula: C26 H31 N O5 S
• Calculated formula: C26 H31 N O5 S
• SMILES: S(=O)(=O)(Cc1ccccc1)[C@@]1([C@@H](c2ccccc2N(C1=O)C)CC(=O)OC(C)(C)C)CC=C.S(=O)(=O)(Cc1ccccc1)[C@]1([C@H](c2ccccc2N(C1=O)C)CC(=O)OC(C)(C)C)CC=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: 10.8283 ± 0.0013 Å
• b: 11.0456 ± 0.0013 Å
• c: 12.277 ± 0.002 Å
• α: 103.161 ± 0.002°
• β: 113.007 ± 0.002°
• γ: 103.923 ± 0.001°
• Cell volume: 1223.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No