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Information card for entry 2023161
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Coordinates | 2023161.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | <i>L</i>-Glycyl-<i>L</i>-methionine |
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Formula | C7 H14 N2 O3 S |
Calculated formula | C7 H14 N2 O3 S |
Title of publication | Crystal structures of the isomeric dipeptides l-glycyl-l-me-thio-nine and l-me-thionyl-l-glycine. |
Authors of publication | Babu, Sainath; Fronczek, Frank R.; Uppu, Rao M.; Claville, Michelle O. |
Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | Pt 7 |
Pages of publication | 725 - 728 |
a | 6.2517 ± 0.0002 Å |
b | 5.4935 ± 0.0002 Å |
c | 14.5686 ± 0.0006 Å |
α | 90° |
β | 91.147 ± 0.004° |
γ | 90° |
Cell volume | 500.24 ± 0.03 Å3 |
Cell temperature | 90 ± 0.5 K |
Ambient diffraction temperature | 90 ± 0.5 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0399 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for significantly intense reflections | 0.0756 |
Weighted residual factors for all reflections included in the refinement | 0.0792 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/2023161.html
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