Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1554631
Preview
| Coordinates | 1554631.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H28 Cl N3 O2 |
|---|---|
| Calculated formula | C13 H28 Cl N3 O2 |
| SMILES | C(=[N+]1CCCC1)(N1CCCC1)N1CCCC1.O.[Cl-].O |
| Title of publication | Highly stable polysulfone anion exchange membranes incorporated with bulky alkyl substituted guanidinium cations |
| Authors of publication | Xue, Boxin; Wang, Fen; Zheng, Jifu; Li, Shenghai; Zhang, Suobo |
| Journal of publication | Molecular Systems Design & Engineering |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 5 |
| Pages of publication | 1039 |
| a | 9.9771 ± 0.0009 Å |
| b | 18.0751 ± 0.0017 Å |
| c | 8.9806 ± 0.0008 Å |
| α | 90° |
| β | 104.318 ± 0.002° |
| γ | 90° |
| Cell volume | 1569.2 ± 0.2 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0553 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.1246 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1554631.cif |
| 237912 | 2019-11-24 | cif/ Adding structures of 1554630, 1554631 via cif-deposit CGI script. |
1554631.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.