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Information card for entry 1576069
Preview
| Coordinates | 1576069.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H23 N3 O7 S |
|---|---|
| Calculated formula | C21 H23 N3 O7 S |
| Title of publication | Chemoselective Sulfonyl Fluoride Exchange (SuFEx)-Induced Macrocyclization of Tyrosine-Containing Peptides in Aqueous Media |
| Authors of publication | Seyrani, Hassan; Heidarzadeh Vazifehkhorani, Hossein; Outlaw, Victor |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 7.0199 ± 0.0002 Å |
| b | 16.2513 ± 0.0005 Å |
| c | 18.7458 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2138.57 ± 0.11 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0411 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0827 |
| Weighted residual factors for all reflections included in the refinement | 0.0908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302990 (current) | 2025-10-24 | cif/ Adding structures of 1576069 via cif-deposit CGI script. |
1576069.cif |
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Users of the data should acknowledge the original authors of the
structural data.