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Information card for entry 4517355
Preview
| Coordinates | 4517355.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H12 N2 O2 |
|---|---|
| Calculated formula | C11 H12 N2 O2 |
| SMILES | [O-]C(=O)C([NH3+])Cc1c2ccccc2[nH]c1 |
| Title of publication | Self-Assembly of Aromatic Amino Acid Enantiomers into Supramolecular Materials of High Rigidity. |
| Authors of publication | Bera, Santu; Xue, Bin; Rehak, Pavel; Jacoby, Guy; Ji, Wei; Shimon, Linda J. W.; Beck, Roy; Král, Petr; Cao, Yi; Gazit, Ehud |
| Journal of publication | ACS nano |
| Year of publication | 2020 |
| a | 18.8828 ± 0.0003 Å |
| b | 5.7569 ± 0.0001 Å |
| c | 9.3054 ± 0.0001 Å |
| α | 90° |
| β | 101.737 ± 0.002° |
| γ | 90° |
| Cell volume | 990.41 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.041 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.0969 |
| Weighted residual factors for all reflections included in the refinement | 0.0979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247222 (current) | 2020-01-25 | cif/ Adding structures of 4517355 via cif-deposit CGI script. |
4517355.cif |
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