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Information card for entry 1000016
Preview
| Coordinates | 1000016.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H22 N2 O5 |
|---|---|
| Calculated formula | C18 H22 N2 O5 |
| Title of publication | Expanding the Solid-State Landscape of l-Phenylalanine: Discovery of Polymorphism and New Hydrate Phases, with Rationalization of Hydration/Dehydration Processes |
| Authors of publication | Williams, P. Andrew; Hughes, Colan. E.; Buanz, Asma B. M.; Gaisford, Simon; Harris, Kenneth D. M. |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2013 |
| Journal volume | 117 |
| Journal issue | 23 |
| Pages of publication | 12136 - 12145 |
| a | 12.1112 ± 0.0005 Å |
| b | 5.4213 ± 0.00017 Å |
| c | 13.7691 ± 0.0005 Å |
| α | 90° |
| β | 100.011 ± 0.0035° |
| γ | 90° |
| Cell volume | 890.29 ± 0.06 Å3 |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| RFsqd | 0.16533 |
| Goodness-of-fit parameter for all reflections | 1.22 |
| 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 |
Version history
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Users of the data should acknowledge the original authors of the
structural data.