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Information card for entry 4060205
Preview
| Coordinates | 4060205.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | gly-gly-val HCl |
|---|---|
| Chemical name | glycyl-glycyl-valine hydrochloride |
| Formula | C9 H18 Cl N3 O4 |
| Calculated formula | C9 H18 Cl N3 O4 |
| Title of publication | 15N Chemical Shielding in Glycyl Tripeptides: Measurement by Solid-State NMR and Correlation with X-ray Structure |
| Authors of publication | Chekmenev, Eduard Y.; Zhang, Qianwen; Waddell, Kevin W.; Mashuta, Mark S.; Wittebort, Richard J. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Journal issue | 1 |
| Pages of publication | 379 - 384 |
| a | 6.989 ± 0.0008 Å |
| b | 8.2684 ± 0.001 Å |
| c | 21.834 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1261.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.027 |
| Residual factor for significantly intense reflections | 0.024 |
| Weighted residual factors for significantly intense reflections | 0.054 |
| Weighted residual factors for all reflections included in the refinement | 0.055 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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