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Information card for entry 1576059
Preview
| Coordinates | 1576059.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 via the installation and photoexcitation of thieno[2,3-c]-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 |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302985 (current) | 2025-10-24 | cif/ Adding structures of 1576059 via cif-deposit CGI script. |
1576059.cif |
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Users of the data should acknowledge the original authors of the
structural data.