Information card for entry 1505839

Structure parameters

• Formula: C19 H25 N O3
• Calculated formula: C19 H25 N O3
• SMILES: O=C1N(c2c([C@@H]([C@@H]1CC=C)CC(=O)OC(C)(C)C)cccc2)C.O=C1N(c2c([C@H]([C@H]1CC=C)CC(=O)OC(C)(C)C)cccc2)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: 14.9879 ± 0.0017 Å
• b: 13.5965 ± 0.0016 Å
• c: 8.7184 ± 0.001 Å
• α: 90°
• β: 95.95 ± 0.002°
• γ: 90°
• Cell volume: 1767.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No