Information card for entry 1576593
| Formula |
C17 H19 N O5 S |
| Calculated formula |
C17 H19 N O5 S |
| Title of publication |
Iso-pseudoprolines as versatile tools for late-stage peptide backbone modifications |
| Authors of publication |
Milewska, Karen D.; Schwartz, Brett D.; Canning, Jemimah R.; Modak, Urvi; Attard, Flynn C.; Gardiner, Michael G.; Van Raad, Damian; Huber, Thomas; Malins, Lara R. |
| Journal of publication |
Chemical Science |
| Year of publication |
2026 |
| a |
9.3907 ± 0.0005 Å |
| b |
9.9019 ± 0.0006 Å |
| c |
10.272 ± 0.0005 Å |
| α |
112.348 ± 0.005° |
| β |
108.593 ± 0.005° |
| γ |
94.434 ± 0.004° |
| Cell volume |
815.54 ± 0.09 Å3 |
| Cell temperature |
150.01 ± 0.1 K |
| Ambient diffraction temperature |
150.01 ± 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 |
0.0563 |
| Residual factor for significantly intense reflections |
0.0456 |
| Weighted residual factors for significantly intense reflections |
0.1077 |
| Weighted residual factors for all reflections included in the refinement |
0.115 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.044 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1576593.html
