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Information card for entry 7122203
Preview
| Coordinates | 7122203.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H56 N10 O14 S2 |
|---|---|
| Calculated formula | C40 H56 N10 O14 S2 |
| Title of publication | Surprisingly selective sulfate extraction by a simple monofunctional di(imino)guanidinium micelle-forming anion receptor. |
| Authors of publication | Williams, Neil J.; Seipp, Charles A.; Garrabrant, Kathleen A.; Custelcean, Radu; Holguin, Erick; Keum, Jong K.; Ellis, Ross J.; Moyer, Bruce A. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 72 |
| Pages of publication | 10048 - 10051 |
| a | 8.9283 ± 0.0004 Å |
| b | 13.9637 ± 0.0006 Å |
| c | 18.7435 ± 0.0008 Å |
| α | 90° |
| β | 101.484 ± 0.001° |
| γ | 90° |
| Cell volume | 2290.01 ± 0.17 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0526 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1132 |
| Weighted residual factors for all reflections included in the refinement | 0.1182 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7122203.cif |
| 228411 | 2019-11-17 | cif/ Updating files of 7122203 Original log message: Adding full bibliography for 7122203.cif. |
7122203.cif |
| 210002 | 2018-08-21 | cif/ Adding structures of 7122203 via cif-deposit CGI script. |
7122203.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.