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Information card for entry 4128294
Preview
| Coordinates | 4128294.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H18 N4 O |
|---|---|
| Calculated formula | C21 H18 N4 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 | 7.0423 ± 0.0004 Å |
| b | 10.4389 ± 0.0006 Å |
| c | 12.1272 ± 0.0007 Å |
| α | 76.1046 ± 0.0019° |
| β | 88.391 ± 0.002° |
| γ | 77.957 ± 0.002° |
| Cell volume | 846.15 ± 0.08 Å3 |
| Cell temperature | 109 ± 2 K |
| Ambient diffraction temperature | 109 ± 2 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 | 0.111 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.1164 |
| Weighted residual factors for all reflections included in the refinement | 0.1429 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| 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. |
4128294.cif |
| 221416 | 2019-11-03 | cif/ Adding structures of 4128294 via cif-deposit CGI script. |
4128294.cif |
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Users of the data should acknowledge the original authors of the
structural data.