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Information card for entry 1571895
Preview
| Coordinates | 1571895.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H18 N2 O5 S2 |
|---|---|
| Calculated formula | C16 H18 N2 O5 S2 |
| Title of publication | NSPs: chromogenic linkers for fast, selective, and irreversible cysteine modification. |
| Authors of publication | Hua, Yong; Zou, Zhi; Prescimone, Alessandro; Ward, Thomas R.; Mayor, Marcel; Köhler, Valentin |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 28 |
| Pages of publication | 10997 - 11004 |
| a | 8.2197 ± 0.0002 Å |
| b | 9.7011 ± 0.0002 Å |
| c | 11.5746 ± 0.0002 Å |
| α | 113.735 ± 0.002° |
| β | 92.388 ± 0.002° |
| γ | 99.774 ± 0.002° |
| Cell volume | 826.42 ± 0.03 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0381 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.1009 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293745 (current) | 2024-08-05 | cif/ Updating files of 1571895 Original log message: Adding full bibliography for 1571895.cif. |
1571895.cif |
| 292403 | 2024-06-15 | cif/ Adding structures of 1571895 via cif-deposit CGI script. |
1571895.cif |
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Users of the data should acknowledge the original authors of the
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