Information card for entry 4112027

Structure parameters

• Formula: C12 H17 N O2
• Calculated formula: C12 H17 N O2
• SMILES: [C@@]123CCOC(=O)N1[C@H]2C[C@@H]1C([C@H]3C1)(C)C
• Title of publication: N-Tosyloxycarbamates as a Source of Metal Nitrenes: Rhodium-Catalyzed C-H Insertion and Aziridination Reactions
• Authors of publication: Hélène Lebel; Kim Huard; Sylvain Lectard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 14198 - 14199
• a: 8.441 ± 0.002 Å
• b: 11.113 ± 0.003 Å
• c: 11.41 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1070.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No