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Information card for entry 1570233
Preview
| Coordinates | 1570233.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H12 N2 O2 |
|---|---|
| Calculated formula | C12 H12 N2 O2 |
| Title of publication | Use of pyridazinediones for tuneable and reversible covalent cysteine modification applied to peptides, proteins and hydrogels. |
| Authors of publication | Rochet, Léa N C; Bahou, Calise; Wojciechowski, Jonathan P.; Koutsopetras, Ilias; Britton, Phyllida; Spears, Richard J.; Thanasi, Ioanna A.; Shao, Baihao; Zhong, Lisha; Bučar, Dejan-Krešimir; Aliev, Abil E.; Porter, Michael J.; Stevens, Molly M.; Baker, James R.; Chudasama, Vijay |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 47 |
| Pages of publication | 13743 - 13754 |
| a | 12.9649 ± 0.0001 Å |
| b | 8.2585 ± 0.0001 Å |
| c | 20.8574 ± 0.0002 Å |
| α | 90° |
| β | 106.928 ± 0.001° |
| γ | 90° |
| Cell volume | 2136.45 ± 0.04 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 4 |
| 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 | 0.0372 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0909 |
| Weighted residual factors for all reflections included in the refinement | 0.0936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| 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 |
|---|---|---|---|
| 288752 (current) | 2024-01-06 | cif/ Updating files of 1570233 Original log message: Adding full bibliography for 1570233.cif. |
1570233.cif |
| 287225 | 2023-11-02 | cif/ Adding structures of 1570233 via cif-deposit CGI script. |
1570233.cif |
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Users of the data should acknowledge the original authors of the
structural data.