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Information card for entry 2105649
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Coordinates | 2105649.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Glycyl-L-serine |
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Formula | C5 H10 N2 O4 |
Calculated formula | C5 H10 N2 O4 |
SMILES | O=C(N[C@@H](CO)C(=O)[O-])C[NH3+] |
Title of publication | What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal |
Authors of publication | Görbitz, Carl Henrik |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 1999 |
Journal volume | 55 |
Journal issue | 6 |
Pages of publication | 1090 - 1098 |
a | 7.275 ± 0.002 Å |
b | 9.097 ± 0.003 Å |
c | 10.507 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 695.4 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0798 |
Residual factor for significantly intense reflections | 0.0533 |
Weighted residual factors for all reflections included in the refinement | 0.115 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.212 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2105649.html
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