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Information card for entry 2241631
Preview
| Coordinates | 2241631.cif |
|---|---|
| Structure factors | 2241631.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>L</i>-Leucyl-<i>L</i>-isoleucine 2,2,2-trifluoroethanol monosolvate |
|---|---|
| Formula | C14 H27 F3 N2 O4 |
| Calculated formula | C14 H27 F3 N2 O4 |
| Title of publication | Crystal structure of <small>L</small>-leucyl-<small>L</small>-isoleucine 2,2,2-trifluoroethanol monosolvate |
| Authors of publication | Görbitz, Carl Henrik |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 5 |
| Pages of publication | 635 - 638 |
| a | 10.947 ± 0.003 Å |
| b | 12.999 ± 0.004 Å |
| c | 12.44 ± 0.004 Å |
| α | 90° |
| β | 101.833 ± 0.004° |
| γ | 90° |
| Cell volume | 1732.6 ± 0.9 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0516 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.0886 |
| Weighted residual factors for all reflections included in the refinement | 0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181917 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/16. |
2241631.cif 2241631.hkl |
| 181818 | 2016-04-06 | cif/ hkl/ Adding structures of 2241631 via cif-deposit CGI script. |
2241631.cif 2241631.hkl |
All data in the COD and the database itself are dedicated to the
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CC0
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.
Users of the data should acknowledge the original authors of the
structural data.