Information card for entry 1544787

Structure parameters

• Chemical name: (OC-6-44)-Acetatodiamminedichlorido[2-(2,5-dioxopyrrolidin-1-yl)ethyl)carbamato]platinum(IV)
• Formula: C9 H20 Cl2 N4 O7 Pt
• Calculated formula: C9 H20 Cl2 N4 O7 Pt
• SMILES: [Pt](Cl)(Cl)(OC(=O)NCCN1C(=O)CCC1=O)(OC(=O)C)([NH3])[NH3].O
• Title of publication: An albumin-based tumor-targeted oxaliplatin prodrug with distinctly improved anticancer activity in vivo
• Authors of publication: Mayr, Josef; Heffeter, Petra; Groza, Diana; Galvez, Luis; Koellensperger, Gunda; Roller, Alexander; Alte, Beatrix; Haider, Melanie; Berger, Walter; Kowol, Christian R.; Keppler, Bernhard K.
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 2241
• a: 27.345 ± 0.005 Å
• b: 10.1753 ± 0.0011 Å
• c: 12.3345 ± 0.0013 Å
• α: 90°
• β: 101.328 ± 0.005°
• γ: 90°
• Cell volume: 3365.1 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No