Information card for entry 1576059

Structure parameters

• Formula: C27 H25 N3 O8 S2
• Calculated formula: C27 H25 N3 O8 S2
• Title of publication: Desulfurative modification of cysteine residues in peptides and proteins <i>via</i> the installation and photoexcitation of thieno[2,3-<i>c</i>]-pyrroles.
• Authors of publication: Chen, Zijing; Wang, Wenjun; Chen, Baicheng; Chen, Si-Cong; Aoken, Aimila; Wu, Fanrui; Zeng, Guihua; Luo, Tuoping
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 46
• Pages of publication: 22091 - 22100
• a: 6.7117 ± 0.0001 Å
• b: 12.0184 ± 0.0001 Å
• c: 17.045 ± 0.0002 Å
• α: 101.24 ± 0.001°
• β: 99.574 ± 0.001°
• γ: 90.168 ± 0.001°
• Cell volume: 1328.87 ± 0.03 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No