Information card for entry 7113089

Structure parameters

• Chemical name: 1-[diphenyl-methylidenyl] -[3]ferrocenophane
• Formula: C26 H22 Fe
• Calculated formula: C26 H22 Fe
• SMILES: [Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)C(=C(c1ccccc1)c1ccccc1)CC[c]15[cH]6[cH]7[cH]8[cH]91
• Title of publication: Facile synthesis and strong antiproliferative activity of disubstituted diphenylmethylidenyl-[3]ferrocenophanes on breast and prostate cancer cell lines
• Authors of publication: Görmen, Meral; Pigeon, Pascal; Top, Siden; Vessières, Anne; Plamont, Marie-Aude; Hillard, Elizabeth A.; Jaouen, Gérard
• Journal of publication: MedChemComm
• Year of publication: 2010
• Journal volume: 1
• Journal issue: 2
• Pages of publication: 149
• a: 5.8601 ± 0.0009 Å
• b: 31.829 ± 0.004 Å
• c: 40.783 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7606.9 ± 1.7 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F 2 d d
• Hall space group symbol: F -2d 2
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9642
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No