Information card for entry 1520292

Structure parameters

• Formula: C11 H14 Cl N O S
• Calculated formula: C11 H14 Cl N O S
• SMILES: S(C(C)(C)C)(/N=C/c1ccc(Cl)cc1)=O
• Title of publication: Diastereoselective Allylation ofN-tert-Butanesulfinyl Imines: An Asymmetric Synthesis Experiment for the Undergraduate Organic Laboratory
• Authors of publication: Chen, Xiao-Yang; Sun, Li-Sen; Gao, Xiang; Sun, Xing-Wen
• Journal of publication: Journal of Chemical Education
• Year of publication: 2015
• Journal volume: 92
• Journal issue: 4
• Pages of publication: 714
• a: 5.615 ± 0.016 Å
• b: 10.35 ± 0.03 Å
• c: 11.29 ± 0.03 Å
• α: 90°
• β: 102.9 ± 0.03°
• γ: 90°
• Cell volume: 640 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No