Information card for entry 1548064

Structure parameters

• Formula: C27 H24 Fe O3
• Calculated formula: C27 H24 Fe O3
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)C(C1=CCCO1)(c1ccc(O)cc1)c1ccc(O)cc1)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: A new generation of ferrociphenols leads to a great diversity of reactive metabolites, and exhibits remarkable antiproliferative properties.
• Authors of publication: Wang, Yong; Dansette, Patrick M.; Pigeon, Pascal; Top, Siden; McGlinchey, Michael J.; Mansuy, Daniel; Jaouen, Gérard
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 70 - 78
• a: 11.0994 ± 0.0004 Å
• b: 8.5265 ± 0.0003 Å
• c: 21.7146 ± 0.0008 Å
• α: 90°
• β: 97.392 ± 0.003°
• γ: 90°
• Cell volume: 2037.97 ± 0.13 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 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: 0.0488
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No