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Information card for entry 4038622
Preview
| Coordinates | 4038622.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H74 Cl2 N6 O6 S6 |
|---|---|
| Calculated formula | C58 H74 Cl2 N6 O6 S6 |
| Title of publication | Electroactive Anion Receptor with High Affinity for Arsenate |
| Authors of publication | Etkind, Samuel I.; Vander Griend, Douglas A.; Swager, Timothy M. |
| Journal of publication | The Journal of Organic Chemistry |
| Year of publication | 2020 |
| a | 13.4947 ± 0.0003 Å |
| b | 14.2983 ± 0.0004 Å |
| c | 16.9696 ± 0.0005 Å |
| α | 67.4217 ± 0.0011° |
| β | 72.7655 ± 0.001° |
| γ | 81.2908 ± 0.001° |
| Cell volume | 2884.97 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0566 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.0988 |
| Weighted residual factors for all reflections included in the refinement | 0.109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254628 (current) | 2020-07-29 | cif/ Adding structures of 4038622 via cif-deposit CGI script. |
4038622.cif |
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Users of the data should acknowledge the original authors of the
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