Information card for entry 4066778

Structure parameters

• Formula: C20 H26 Fe O
• Calculated formula: C20 H26 Fe O
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)O[C@H]1C([C@H]2CC[C@@]1(C2)C)(C)C
• Title of publication: Copper(I)-Mediated Synthesis of Ferrocenyl Alkyl Ethers†
• Authors of publication: Schaarschmidt, Dieter; Lang, Heinrich
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 18
• Pages of publication: 4196
• a: 7.5316 ± 0.0002 Å
• b: 14.2548 ± 0.0005 Å
• c: 15.2078 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1632.73 ± 0.08 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No