Information card for entry 7002983

Structure parameters

• Formula: C26 H24 Fe O3
• Calculated formula: C26 H24 Fe O3
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[c]8([cH]7[cH]6[cH]51)C(c1ccc(O)cc1)(c1ccc(O)cc1)C(=O)CC
• Title of publication: Synthesis, oxidation chemistry and cytotoxicity studies on ferrocene derivatives of diethylstilbestrol
• Authors of publication: Tan, Yong Leng Kelvin; Pigeon, Pascal; Hillard, Elizabeth A.; Top, Siden; Plamont, Marie-Aude; Vessières, Anne; McGlinchey, Michael J.; Müller-Bunz, Helge; Jaouen, Gérard
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 48
• Pages of publication: 10871 - 10881
• a: 9.1008 ± 0.0004 Å
• b: 10.2954 ± 0.0004 Å
• c: 21.5897 ± 0.0009 Å
• α: 90°
• β: 101.042 ± 0.001°
• γ: 90°
• Cell volume: 1985.43 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0502
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No