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Information card for entry 1566200
Preview
| Coordinates | 1566200.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C95 H106 F16 N2 O11 S |
|---|---|
| Calculated formula | C95 H106 F16 N2 O11 S |
| Title of publication | Nonspherical anion sequestration by C–H hydrogen bonding |
| Authors of publication | Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 12.7581 ± 0.001 Å |
| b | 22.867 ± 0.002 Å |
| c | 16.3241 ± 0.0014 Å |
| α | 90° |
| β | 94.056 ± 0.006° |
| γ | 90° |
| Cell volume | 4750.5 ± 0.7 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.2646 |
| Residual factor for significantly intense reflections | 0.1736 |
| Weighted residual factors for significantly intense reflections | 0.4253 |
| Weighted residual factors for all reflections included in the refinement | 0.4927 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.482 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272358 (current) | 2022-02-01 | cif/ Adding structures of 1566196, 1566197, 1566198, 1566199, 1566200, 1566201, 1566202, 1566203, 1566204, 1566205, 1566206, 1566207 via cif-deposit CGI script. |
1566200.cif |
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Users of the data should acknowledge the original authors of the
structural data.