Information card for entry 7116435

Structure parameters

• Formula: C96 H144 Br4 N8 O22
• Calculated formula: C88 H92 Br4 N8 O4
• SMILES: c12=C(c3nc(=C(c4ccc([nH]4)C(=c4nc(C(=c(cc1)[nH]2)c1cc[n+](cc1)CC(=O)C12CC5CC(CC(C1)C5)C2)cc4)c1cc[n+](cc1)CC(=O)C12CC4CC(CC(C1)C4)C2)c1cc[n+](cc1)CC(=O)C12CC4CC(CC(C1)C4)C2)cc3)c1cc[n+](cc1)CC(=O)C12CC3CC(CC(C1)C3)C2.[Br-].[Br-].[Br-].[Br-]
• Title of publication: Supramolecular self-assembled nanoparticles for chemo-photodynamic dual therapy against cisplatin resistant cancer cells
• Authors of publication: Wei Zhang; Yi Li; Jing-Hua Sun; Cai-Ping Tan; Liang-Nian Ji; Zong-Wan Mao
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 1807
• a: 10.8583 ± 0.0004 Å
• b: 18.3496 ± 0.0009 Å
• c: 22.4335 ± 0.0009 Å
• α: 90°
• β: 91.834 ± 0.001°
• γ: 90°
• Cell volume: 4467.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0971
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No