Information card for entry 7026062

Structure parameters

• Formula: C30 H30 Fe O3
• Calculated formula: C30 H30 Fe O3
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[c]12C(CCC[c]51[cH]6[cH]7[cH]82)=C(c1ccc(O)cc1)c1ccc(O)cc1.O=C(C)C
• Title of publication: Organometallic cyclic polyphenols derived from 1,2-(alpha-keto tri or tetra methylene) ferrocene show strong antiproliferative activity on hormone-independent breast cancer cells.
• Authors of publication: Plazuk, Damian; Top, Siden; Vessières, Anne; Plamont, Marie-Aude; Huché, Michel; Zakrzewski, Janusz; Makal, Anna; Woźniak, Krzysztof; Jaouen, Gérard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 32
• Pages of publication: 7444 - 7450
• a: 9.0572 ± 0.0012 Å
• b: 10.5343 ± 0.0014 Å
• c: 14.155 ± 0.002 Å
• α: 111.543 ± 0.003°
• β: 103.732 ± 0.003°
• γ: 95.834 ± 0.002°
• Cell volume: 1193.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No