Information card for entry 1517245

Structure parameters

• Chemical name: (OC-6-22)-((1R,2R)-diaminocyclohexane)bis(oxalato)platinum(IV)
• Formula: C16 H28 N4 O10 Pt
• Calculated formula: C16 H28 N4 O10 Pt
• SMILES: [Pt]123(OC(=O)C(=O)O2)(OC(=O)C(=O)O3)[NH2][C@H]2[C@H]([NH2]1)CCCC2.N(C)(C=O)C.N(C=O)(C)C
• Title of publication: A Novel Class of Bis- and Tris-Chelate Diam(m)inebis(dicarboxylato)platinum(IV) Complexes as Potential Anticancer Prodrugs.
• Authors of publication: Varbanov, Hristo P.; Göschl, Simone; Heffeter, Petra; Theiner, Sarah; Roller, Alexander; Jensen, Frank; Jakupec, Michael A.; Berger, Walter; Galanski, Markus; Keppler, Bernhard K.
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2014
• Journal volume: 57
• Journal issue: 15
• Pages of publication: 6751 - 6764
• a: 8.9059 ± 0.0005 Å
• b: 11.2218 ± 0.0006 Å
• c: 22.076 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2206.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No