Information card for entry 7227861

Structure parameters

• Formula: C10 H10 N2 O2 Se
• Calculated formula: C10 H8.5 N2 O2 Se
• SMILES: CCCOC(=O)c1ccc2c(c1)n[se]n2
• 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: 21.9362 ± 0.0009 Å
• b: 4.53698 ± 0.00016 Å
• c: 23.8161 ± 0.0011 Å
• α: 90°
• β: 112.119 ± 0.005°
• γ: 90°
• Cell volume: 2195.83 ± 0.17 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: 0.0667
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No