Information card for entry 7102175

Structure parameters

• Formula: C15 H15 N O2
• Calculated formula: C15 H15 N O2
• Title of publication: Diastereoselective Simmons-Smith cyclopropanations of allylic amines and carbamates.
• Authors of publication: Davies, Stephen G; Ling, Kenneth B; Roberts, Paul M; Russell, Angela J; Thomson, James E
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 39
• Pages of publication: 4029 - 4031
• a: 8.5766 ± 0.0003 Å
• b: 7.0349 ± 0.0003 Å
• c: 10.6494 ± 0.0005 Å
• α: 90°
• β: 109.919 ± 0.0015°
• γ: 90°
• Cell volume: 604.1 ± 0.04 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1211
• Residual factor for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections: 0.2144
• Weighted residual factors for significantly intense reflections: 0.2057
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0452
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No