Information card for entry 4104994

Structure parameters

• Formula: C16 H19 N O
• Calculated formula: C16 H19 N O
• 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: 10.4412 ± 0.0009 Å
• b: 7.8614 ± 0.0007 Å
• c: 15.9788 ± 0.0013 Å
• α: 90°
• β: 93.057 ± 0.004°
• γ: 90°
• Cell volume: 1309.71 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No