Information card for entry 4078741

Structure parameters

• Formula: C26 H22 Fe O
• Calculated formula: C26 H22 Fe O
• SMILES: [Fe]123456789[c]%10([cH]4[cH]3[cH]2[cH]1%10)C(C(=O)CC[c]15[cH]6[cH]7[cH]8[cH]91)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Antiproliferative Effects of [3]Ferrocenophane Transposition Products and Pinacols Obtained from McMurry Cross-Coupling Reactions
• Authors of publication: Görmen, Meral; Pigeon, Pascal; Hillard, Elizabeth A.; Vessières, Anne; Huché, Michel; Richard, Marie-Aude; McGlinchey, Michael J.; Top, Siden; Jaouen, Gérard
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 16
• Pages of publication: 5856
• a: 12.9557 ± 0.0014 Å
• b: 9.4401 ± 0.0008 Å
• c: 17.11 ± 0.002 Å
• α: 90°
• β: 109.949 ± 0.007°
• γ: 90°
• Cell volume: 1967 ± 0.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0849
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections: 0.1058
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No