Information card for entry 1505022

Structure parameters

• Formula: C24 H37 Cl N8 O6 Pt S
• Calculated formula: C24 H37 Cl N8 O6 Pt S
• SMILES: [Pt]1(Cl)([S]=C(NC)N(CCNc2c3ccccc3[nH+]c3ccccc23)C)[N](CC[N]1(C)C)(C)C.N(=O)(=O)[O-].N(=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: 7.266 ± 0.0007 Å
• b: 11.8032 ± 0.0012 Å
• c: 17.193 ± 0.0017 Å
• α: 95.598 ± 0.002°
• β: 92.629 ± 0.002°
• γ: 94.082 ± 0.002°
• Cell volume: 1461.7 ± 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: 0.0403
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No