Information card for entry 1547327

Structure parameters

• Formula: C31 H29 Fe N O4
• Calculated formula: C31 H29 Fe N O4
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=C(c1ccc(O)cc1)c1ccc(O)cc1)CCCN1C(=O)CCC1=O)[cH]1[cH]8[cH]7[cH]6[cH]51
• 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: 11.7418 ± 0.0003 Å
• b: 16.8025 ± 0.0005 Å
• c: 13.8536 ± 0.0004 Å
• α: 90°
• β: 112.354 ± 0.002°
• γ: 90°
• Cell volume: 2527.8 ± 0.13 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• 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: 0.0393
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No