Information card for entry 4021746

Structure parameters

• Formula: C11 H9 N O
• Calculated formula: C11 H9 N O
• SMILES: c1(ccccc1c1cnccc1)O
• Title of publication: Regioselective Synthesis of 3-(2-Hydroxyaryl)pyridines via Arynes and Pyridine N-Oxides
• Authors of publication: Cristiano Raminelli; Zhijian Liu; Richard C. Larock
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 4689 - 4691
• a: 9.0507 ± 0.0015 Å
• b: 6.9774 ± 0.0012 Å
• c: 14.452 ± 0.002 Å
• α: 90°
• β: 103.996 ± 0.003°
• γ: 90°
• Cell volume: 885.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0443
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No