Information card for entry 1554619

Structure parameters

• Formula: C54 H48 Cl0 F0 N0 O43.5
• Calculated formula: C54 H68 O43.5
• SMILES: [C@@H]12[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](C=O)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O2)CO)CO.O.O.O.O.O.O.O.O.O.c1ccccc1.c1ccccc1
• Title of publication: Enhanced antitumour effect for hepatocellular carcinoma in the advanced stage using a cyclodextrin-sorafenib-chaperoned inclusion complex.
• Authors of publication: Phan, Chiuyen; Zheng, Ziyang; Wang, Jianwei; Wang, Qiwen; Hu, Xiurong; Tang, Guping; Bai, Hongzhen
• Journal of publication: Biomaterials science
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 11
• Pages of publication: 4758 - 4768
• a: 19.1281 ± 0.0012 Å
• b: 24.4901 ± 0.0012 Å
• c: 15.6182 ± 0.001 Å
• α: 90°
• β: 109.513 ± 0.003°
• γ: 90°
• Cell volume: 6896.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.2731
• Weighted residual factors for all reflections included in the refinement: 0.2855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.29
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No