Information card for entry 7227863

Structure parameters

• Formula: C11 H12 N2 O2 Se
• Calculated formula: C11 H12 N2 O2 Se
• SMILES: [se]1nc2c(cc(C(=O)OCCCC)cc2)n1
• Title of publication: Enhancement of cell uptake and antitumor activity of selenadiazole derivatives through interaction and delivery by serum albumin
• Authors of publication: Deng, Shulin; Zeng, Delong; Luo, Yi; Zhao, Jianfu; Li, Xiaoling; Zhao, Zhennan; Chen, Tianfeng
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 27
• Pages of publication: 16721
• a: 23.715 ± 0.003 Å
• b: 4.6936 ± 0.0003 Å
• c: 24.377 ± 0.003 Å
• α: 90°
• β: 117.245 ± 0.014°
• γ: 90°
• Cell volume: 2412.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No