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Information card for entry 1550253
Preview
| Coordinates | 1550253.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H31 F18 N4 O3 |
|---|---|
| Calculated formula | C33 H24 F18 N4 O3 |
| Title of publication | Expanding Reversible Chalcogenide Binding: Supramolecular Receptors for the Hydroselenide (HSe‒) Anion |
| Authors of publication | Fargher, Hazel; Lau, Nathanael; Zakharov, Lev; Haley, Michael M.; Johnson, Darren; Pluth, Michael D. |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 13.8015 ± 0.0007 Å |
| b | 18.0488 ± 0.0009 Å |
| c | 18.1383 ± 0.0009 Å |
| α | 103.008 ± 0.003° |
| β | 102.996 ± 0.003° |
| γ | 105.924 ± 0.003° |
| Cell volume | 4030.4 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0899 |
| Residual factor for significantly intense reflections | 0.0656 |
| Weighted residual factors for significantly intense reflections | 0.1674 |
| Weighted residual factors for all reflections included in the refinement | 0.1761 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212048 (current) | 2018-11-20 | cif/ Adding structures of 1550252, 1550253, 1550254 via cif-deposit CGI script. |
1550253.cif |
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Users of the data should acknowledge the original authors of the
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