Information card for entry 4104993

Structure parameters

• Formula: C14 H17 N O
• Calculated formula: C10.63 H15.63 N0.77 O0.74
• Title of publication: Mn(III)-Mediated Reactions of Cyclopropanols with Vinyl Azides: Synthesis of Pyridine and 2-Azabicyclo[3.3.1]non-2-en-1-ol Derivatives
• Authors of publication: Yi-Feng Wang; Shunsuke Chiba
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 12570 - 12572
• a: 6.8395 Å
• b: 9.1094 ± 0.0001 Å
• c: 10.5243 ± 0.0001 Å
• α: 68.143 ± 0.006°
• β: 70.861 ± 0.006°
• γ: 77.939 ± 0.008°
• Cell volume: 572.1 ± 0.03 ų
• Cell temperature: 80.1 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 10.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No