Information card for entry 1544786

Structure parameters

• Chemical name: (OC-6-44)-Diamminedichloridomethoxido[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethylcarbamato]platinum(IV)
• Formula: C8 H16 Cl2 N4 O5 Pt
• Calculated formula: C8 H16 Cl2 N4 O5 Pt
• SMILES: [Pt](Cl)(Cl)(OC(=O)NCCN1C(=O)C=CC1=O)(OC)([NH3])[NH3]
• 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: 12.2584 ± 0.0007 Å
• b: 10.9135 ± 0.0006 Å
• c: 21.9058 ± 0.0013 Å
• α: 90°
• β: 104.66 ± 0.0018°
• γ: 90°
• Cell volume: 2835.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No