Information card for entry 7227862

Structure parameters

• Formula: C10 H10 N2 O2 Se
• Calculated formula: C10 H10 N2 O2 Se
• SMILES: c12ccc(cc1n[se]n2)C(=O)OC(C)C
• 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: 16.35 ± 0.0007 Å
• b: 4.6387 ± 0.0002 Å
• c: 14.6202 ± 0.0006 Å
• α: 90°
• β: 102.521 ± 0.004°
• γ: 90°
• Cell volume: 1082.46 ± 0.08 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No