Information card for entry 4127830

Structure parameters

• Formula: C19 H33 N3 O4 S2
• Calculated formula: C19 H33 N3 O4 S2
• Title of publication: Modular Sulfondiimine Synthesis Using a Stable Sulfinylamine Reagent.
• Authors of publication: Zhang, Ze-Xin; Davies, Thomas Q.; Willis, Michael C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 33
• Pages of publication: 13022 - 13027
• a: 10.3058 ± 0.0005 Å
• b: 12.4812 ± 0.0006 Å
• c: 36.471 ± 0.0019 Å
• α: 90°
• β: 97.19 ± 0.004°
• γ: 90°
• Cell volume: 4654.3 ± 0.4 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1293
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections: 0.186
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No