Information card for entry 4102613

Structure parameters

• Formula: C19 H25 N O4 S
• Calculated formula: C19 H25 N O4 S
• Title of publication: Structural Characterization of N-Protonated Amides: Regioselective N-Activation of Medium-Bridged Twisted Lactams
• Authors of publication: Michal Szostak; Lei Yao; Victor W. Day; Douglas R. Powell; Jeffrey Aubé
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 8836 - 8837
• a: 13.551 ± 0.005 Å
• b: 11.403 ± 0.004 Å
• c: 11.442 ± 0.004 Å
• α: 90°
• β: 96.214 ± 0.007°
• γ: 90°
• Cell volume: 1757.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0682
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No