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Information card for entry 1566198
Preview
| Coordinates | 1566198.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H48 F16 O8 |
|---|---|
| Calculated formula | C68 H48 F16 O8 |
| 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 | 28.0557 ± 0.0013 Å |
| b | 31.8586 ± 0.0013 Å |
| c | 36.449 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 32579 ± 2 Å3 |
| Cell temperature | 220 K |
| Ambient diffraction temperature | 220 K |
| Number of distinct elements | 4 |
| Space group number | 70 |
| Hermann-Mauguin space group symbol | F d d d :2 |
| Hall space group symbol | -F 2uv 2vw |
| Residual factor for all reflections | 0.3117 |
| Residual factor for significantly intense reflections | 0.2524 |
| Weighted residual factors for significantly intense reflections | 0.5948 |
| Weighted residual factors for all reflections included in the refinement | 0.6582 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.369 |
| 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. |
1566198.cif |
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Users of the data should acknowledge the original authors of the
structural data.