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Information card for entry 4128296
Preview
| Coordinates | 4128296.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H23 N O5 |
|---|---|
| Calculated formula | C23 H23 N O5 |
| SMILES | C(CCc1c2ccc3c4c2c(cc1)ccc4ccc3)C(=O)N[C@H](C(=O)O)CO.O |
| Title of publication | Occurrence of Chiral Nanostructures Induced by Multiple Hydrogen Bonds. |
| Authors of publication | Xing, Pengyao; Li, Yongxin; Xue, Shixin; Fiona Phua, Soo Zeng; Ding, Chendi; Chen, Hongzhong; Zhao, Yanli |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 25 |
| Pages of publication | 9946 - 9954 |
| a | 4.8537 ± 0.0009 Å |
| b | 7.4768 ± 0.0015 Å |
| c | 50.879 ± 0.011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1846.4 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1775 |
| Residual factor for significantly intense reflections | 0.0947 |
| Weighted residual factors for significantly intense reflections | 0.2033 |
| Weighted residual factors for all reflections included in the refinement | 0.2466 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4128296.cif |
| 221418 | 2019-11-03 | cif/ Adding structures of 4128296 via cif-deposit CGI script. |
4128296.cif |
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Users of the data should acknowledge the original authors of the
structural data.