Information card for entry 1505021

Structure parameters

• Formula: C21 H33 Cl N8 O7 Pt S
• Calculated formula: C21 H32 Cl N8 O7 Pt S
• SMILES: [Pt]1(Cl)([S]=C(NC)N(CCNc2c3ccccc3[nH+]c3ccccc23)C)[NH2]CCC[NH2]1.N(=O)(=O)[O-].N(=O)(=O)[O-].O
• Title of publication: Effect of the diamine nonleaving group in platinum-acridinylthiourea conjugates on DNA damage and cytotoxicity.
• Authors of publication: Guddneppanavar, Rajsekhar; Choudhury, Jayati Roy; Kheradi, Alexander R.; Steen, Bartlett D.; Saluta, Gilda; Kucera, Gregory L.; Day, Cynthia S.; Bierbach, Ulrich
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2007
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 2259 - 2263
• a: 10.6463 ± 0.0015 Å
• b: 10.9812 ± 0.0015 Å
• c: 13.1259 ± 0.0018 Å
• α: 90.642 ± 0.002°
• β: 99.622 ± 0.002°
• γ: 113.788 ± 0.002°
• Cell volume: 1379.1 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No