Information card for entry 2221796

Structure parameters

• Chemical name: 2-Ferrocenyl-3-methoxy-6-methylpyridine
• Formula: C17 H17 Fe N O
• Calculated formula: C17 H17 Fe N O
• SMILES: c1(c(ccc(C)n1)OC)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82
• Title of publication: 2-Ferrocenyl-3-methoxy-6-methylpyridine
• Authors of publication: Xu, Chen; Hao, Xin-Qi; Liu, Fang; Wu, Xiu-Juan; Song, Mao-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m517
• a: 5.9949 ± 0.0013 Å
• b: 20.284 ± 0.004 Å
• c: 12.035 ± 0.002 Å
• α: 90°
• β: 100.036 ± 0.003°
• γ: 90°
• Cell volume: 1441.1 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0359
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes