Information card for entry 4066776

Structure parameters

• Formula: C20 H28 Fe O
• Calculated formula: C20 H28 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](CC[C@H]1C(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: 5.7938 ± 0.0002 Å
• b: 8.0913 ± 0.0003 Å
• c: 18.6108 ± 0.0006 Å
• α: 90°
• β: 94.025 ± 0.003°
• γ: 90°
• Cell volume: 870.31 ± 0.05 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No