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Information card for entry 7238133
Preview
| Coordinates | 7238133.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | L-Valyl-L-serine trifluoroethanol solvate |
|---|---|
| Chemical name | L-Valyl-L-serine trifluoroethanol solvate |
| Formula | C8.28 H16 F0.85 N2 O4.13 |
| Calculated formula | C8.27967 H16 F0.855 N2 O4.12933 |
| Title of publication | Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate |
| Authors of publication | Görbitz, Carl Henrik |
| Journal of publication | CrystEngComm |
| Year of publication | 2005 |
| Journal volume | 7 |
| Journal issue | 111 |
| Pages of publication | 670 |
| a | 14.0668 ± 0.0013 Å |
| b | 9.8053 ± 0.001 Å |
| c | 14.1915 ± 0.0014 Å |
| α | 90° |
| β | 116.172 ± 0.002° |
| γ | 90° |
| Cell volume | 1756.7 ± 0.3 Å3 |
| Cell temperature | 105 ± 2 K |
| Ambient diffraction temperature | 105 ± 2 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 | 0.0601 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1135 |
| Weighted residual factors for all reflections included in the refinement | 0.1213 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244076 (current) | 2019-11-28 | cif/ Adding structures of 7238131, 7238132, 7238133, 7238134 via cif-deposit CGI script. |
7238133.cif |
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