Information card for entry 2220166

Structure parameters

• Chemical name: 2-Ferrocenyl-6-methylpyridin-3-ol
• Formula: C16 H15 Fe N O
• Calculated formula: C16 H15 Fe N O
• Title of publication: 2-Ferrocenyl-6-methylpyridin-3-ol
• Authors of publication: Wang, Zhi-Qiang; Xu, Chen; Cen, Fei-Fei; Li, Ying-Fei; Ji, Bao-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1633
• a: 10.437 ± 0.0013 Å
• b: 12.7196 ± 0.0015 Å
• c: 10.5424 ± 0.0013 Å
• α: 90°
• β: 111.033 ± 0.001°
• γ: 90°
• Cell volume: 1306.3 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• 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: 0.0469
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes