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Information card for entry 4519198
Preview
| Coordinates | 4519198.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H11 N O2 |
|---|---|
| Calculated formula | C5 H11 N O2 |
| SMILES | O=C(C)C=C([O-])C.[NH4+] |
| Title of publication | Supramolecule-Originated Emission: A Room-Temperature Phosphorescence 2D Ionic H-Bond Network from Nonemissive Aliphatic Derivatives. |
| Authors of publication | Xu, Wei; Liu, Huan; Mei, Fen; Fu, Yanyan; Cao, Huimin; He, Qingguo; Cheng, Jiangong |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2021 |
| Journal volume | 13 |
| Journal issue | 51 |
| Pages of publication | 61528 - 61535 |
| a | 8.1072 ± 0.0008 Å |
| b | 7.8957 ± 0.0009 Å |
| c | 20.389 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1305.1 ± 0.2 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0634 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.1385 |
| Weighted residual factors for all reflections included in the refinement | 0.15 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271693 (current) | 2022-01-03 | cif/ Adding structures of 4519198 via cif-deposit CGI script. |
4519198.cif |
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