Information card for entry 7131086

Structure parameters

• Formula: C32 H38 F3 N3 O6 S Si
• Calculated formula: C32 H38 F3 N3 O6 S Si
• SMILES: S(=O)(=O)(N[C@@H](Cc1c2c(n([Si](C(C)C)(C(C)C)C(C)C)c1)cccc2C1=CC(=O)N(C1=O)c1ccccc1)C(=O)OC)C(F)(F)F
• Title of publication: Synthesis of maleimide-braced peptide macrocycles and their potential anti-SARS-CoV-2 mechanisms.
• Authors of publication: Li, Jian; Sun, Jina; Zhang, Xianglei; Zhang, Ruxue; Wang, Qian; Wang, Lin; Zhang, Leike; Xie, Xiong; Li, Chunpu; Zhou, Yu; Wang, Jiang; Xiao, Gengfu; Bai, Fang; Liu, Hong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 7
• Pages of publication: 868 - 871
• a: 11.5652 ± 0.0009 Å
• b: 14.6334 ± 0.0011 Å
• c: 12.0301 ± 0.0011 Å
• α: 90°
• β: 112.076 ± 0.002°
• γ: 90°
• Cell volume: 1886.7 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1539
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.2045
• Weighted residual factors for all reflections included in the refinement: 0.2526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No