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Information card for entry 1571705
Preview
| Coordinates | 1571705.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4-aminophenylalanine |
|---|---|
| Formula | C18 H30 N4 O7 |
| Calculated formula | C18 H30 N4 O7 |
| Title of publication | Probing assembly/disassembly of ordered molecular hydrogels |
| Authors of publication | Ramalhete, Susana; Green, Hayley; Angulo, Jesús; Iuga, Dinu; Fábián, László; Lloyd, Gareth O.; Khimyak, Yaroslav Z. |
| Journal of publication | Faraday Discussions |
| Year of publication | 2024 |
| a | 5.9813 ± 0.0009 Å |
| b | 11.3702 ± 0.0015 Å |
| c | 14.985 ± 0.002 Å |
| α | 90° |
| β | 93.681 ± 0.008° |
| γ | 90° |
| Cell volume | 1017 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 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 |
| Residual factor for all reflections | 0.069 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1576 |
| Weighted residual factors for all reflections included in the refinement | 0.1654 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292010 (current) | 2024-05-24 | cif/ Adding structures of 1571705 via cif-deposit CGI script. |
1571705.cif |
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Users of the data should acknowledge the original authors of the
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