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Information card for entry 1000018
Preview
| Coordinates | 1000018.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H29.99 N4 O5 |
|---|---|
| Calculated formula | C12 H29.994 N4 O5 |
| Title of publication | Understanding the Solid-State Hydration Behavior of a Common Amino Acid: Identification, Structural Characterization, and Hydration/Dehydration Processes of New Hydrate Phases of l-Lysine |
| Authors of publication | Williams, P. Andrew; Hughes, Colan E.; Martin, Jean; Courvoisier, Emilie; Buanz, Asma B. M.; Gaisford, Simon; Harris, Kenneth D. M. |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2016 |
| Journal volume | 120 |
| Journal issue | 17 |
| Pages of publication | 9385 - 9392 |
| a | 9.5309 ± 0.00027 Å |
| b | 5.21728 ± 0.00017 Å |
| c | 17.6011 ± 0.0008 Å |
| α | 90° |
| β | 101.078 ± 0.004° |
| γ | 90° |
| Cell volume | 858.91 ± 0.06 Å3 |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| RFsqd | 0.24366 |
| Goodness-of-fit parameter for all reflections | 1.37 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5406 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.