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Information card for entry 1000017
Preview
| Coordinates | 1000017.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H13 N O3 |
|---|---|
| Calculated formula | C9 H13 N O3 |
| 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 | 13.0075 ± 0.0004 Å |
| b | 5.43017 ± 0.00011 Å |
| c | 13.93996 ± 0.00033 Å |
| α | 90° |
| β | 101.113 ± 0.0014° |
| γ | 90° |
| Cell volume | 966.16 ± 0.04 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 | 0.15861 |
| Goodness-of-fit parameter for all reflections | 1.34 |
| 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.