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Information card for entry 7212516
Preview
Coordinates | 7212516.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | L-glutamyl-L-cysteinylglycine |
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Chemical name | L-glutamyl-L-cysteinylglycine |
Formula | C10 H17 N3 O6 S |
Calculated formula | C10 H17 N3 O6 S |
SMILES | SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)[O-])[NH3+] |
Title of publication | Pressure induced phase transitions in the tripeptide glutathione to 5.24 GPa: the crystal structure of glutathione-II at 2.94 GPa and glutathione-III at 3.70 GPa |
Authors of publication | Moggach, Stephen A.; Lennie, Alistair R.; Morrison, Carole A.; Richardson, Patricia; Stefanowicz, Fiona A.; Warren, John E. |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 9 |
Pages of publication | 2587 |
a | 5.2748 ± 0.0002 Å |
b | 8.3459 ± 0.0003 Å |
c | 25.496 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1122.41 ± 0.14 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 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 | 0.0483 |
Residual factor for significantly intense reflections | 0.0212 |
Weighted residual factors for all reflections | 0.0449 |
Weighted residual factors for significantly intense reflections | 0.034 |
Weighted residual factors for all reflections included in the refinement | 0.0449 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1146 |
Diffraction radiation wavelength | 0.4767 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7212516.html
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