Information card for entry 1547325

Structure parameters

• Formula: C35.5 H41 Fe N O7
• Calculated formula: C35.5 H41 Fe N O7
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(CCCNC(=O)CCC(=O)O)=C(c1ccc(O)cc1)c1ccc(O)cc1)[cH]1[cH]5[cH]6[cH]7[cH]81.O=C(C)C.O=C(C)C.O
• Title of publication: A New Series of Succinimido-ferrociphenols and Related Heterocyclic Species Induce Strong Antiproliferative Effects, Especially against Ovarian Cancer Cells Resistant to Cisplatin.
• Authors of publication: Pigeon, Pascal; Wang, Yong; Top, Siden; Najlaoui, Feten; Garcia Alvarez, Maria Concepcion; Bignon, Jérôme; McGlinchey, Michael J.; Jaouen, Gérard
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2017
• Journal volume: 60
• Journal issue: 20
• Pages of publication: 8358 - 8368
• a: 9.6462 ± 0.0003 Å
• b: 11.3462 ± 0.0003 Å
• c: 34.2707 ± 0.001 Å
• α: 81.024 ± 0.002°
• β: 83.266 ± 0.002°
• γ: 65.585 ± 0.002°
• Cell volume: 3367.79 ± 0.18 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No