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Information card for entry 2312742
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| Coordinates | 2312742.cif |
|---|---|
| Structure factors | 2312742.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-[(Naphthalen-2-ylmethyl)azaniumyl]-3-phenylpropanoate |
|---|---|
| Formula | C20 H19 N O2 |
| Calculated formula | C20 H19 N O2 |
| Title of publication | Conformational versatility among crystalline solids of L-phenylalanine derivatives. |
| Authors of publication | Movilla, Federico; Rey, Juan Manuel; López Borda, María Del Rosario; Di Salvo, Florencia |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 2 |
| a | 5.62 ± 0.003 Å |
| b | 8.62 ± 0.003 Å |
| c | 16.07 ± 0.005 Å |
| α | 91.113 ± 0.009° |
| β | 91.423 ± 0.009° |
| γ | 96.92 ± 0.02° |
| Cell volume | 772.4 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0478 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.1187 |
| Weighted residual factors for all reflections included in the refinement | 0.1243 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.67019 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297468 (current) | 2025-01-25 | cif/ hkl/ Adding structures of 2312742, 2312743, 2312744, 2312745 via cif-deposit CGI script. |
2312742.cif 2312742.hkl |
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Users of the data should acknowledge the original authors of the
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