Information card for entry 4027558

Structure parameters

• Formula: C11 H12 Cl3 N O3
• Calculated formula: C11 H12 Cl3 N O3
• SMILES: c1(ccccc1)C(CO)NC(=O)OCC(Cl)(Cl)Cl
• Title of publication: Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates
• Authors of publication: Masruri; Anthony C. Willis; Malcolm D. McLeod
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 8480 - 8491
• a: 6.5153 ± 0.0001 Å
• b: 9.6632 ± 0.0003 Å
• c: 11.5125 ± 0.0004 Å
• α: 88.8571 ± 0.0015°
• β: 77.467 ± 0.002°
• γ: 85.8 ± 0.002°
• Cell volume: 705.63 ± 0.04 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0412
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for all reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No