Information card for entry 4103065

Structure parameters

• Formula: C14 H19 N O2
• Calculated formula: C14 H20 N O2
• Title of publication: A General and Efficient Cobalt(II)-Based Catalytic System for Highly Stereoselective Cyclopropanation of Alkenes with α-Cyanodiazoacetates
• Authors of publication: Shifa Zhu; Xue Xu; Jason A. Perman; X. Peter Zhang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 12796 - 12799
• a: 8.5842 ± 0.0002 Å
• b: 8.5197 ± 0.0002 Å
• c: 8.4723 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 619.62 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No