Information card for entry 7119777

Structure parameters

• Formula: C25 H29 Cl N O5 S
• Calculated formula: C25 H29 Cl N O5 S
• SMILES: S(=O)(=O)(Cc1ccc(Cl)cc1)/C=C/c1ccc(cc1)C(=O)OC1CC([N](=O)C(C1)(C)C)(C)C
• Title of publication: Synthesis, characterization, and radioprotective activity of α, β-unsaturated aryl sulfones analogs and their Tempol conjugates
• Authors of publication: Zhou, Nan; Feng, Tian; Shen, Xin; Cui, Jiahui; Wu, Rangxin; Wang, Libin; Wang, Siwang; Zhang, Shengyong; Chen, Hui
• Journal of publication: Med. Chem. Commun.
• Year of publication: 2017
• a: 23.6905 ± 0.0018 Å
• b: 12.9222 ± 0.001 Å
• c: 8.2629 ± 0.0006 Å
• α: 90°
• β: 92.98 ± 0.002°
• γ: 90°
• Cell volume: 2526.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0685
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No