Information card for entry 7118862

Structure parameters

• Formula: C50 H75 Br K N3 O11
• Calculated formula: C50 H75 Br K N3 O11
• Title of publication: Discovery of a (19)F MRI sensitive salinomycin derivative with high cytotoxicity towards cancer cells.
• Authors of publication: Shi, Qiuyan; Li, Yu; Bo, Shaowei; Li, Xiaofei; Zhao, Peng; Liu, Qi; Yang, Zhigang; Cong, Hengjiang; Deng, Hexiang; Chen, Mingnan; Chen, Shizhen; Zhou, Xin; Ding, Hong; Jiang, Zhong-Xing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 29
• Pages of publication: 5136 - 5139
• a: 13.5526 ± 0.0001 Å
• b: 13.5526 ± 0.0001 Å
• c: 57.9362 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10641.3 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No