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Information card for entry 4134789
Preview
| Coordinates | 4134789.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C140 H120 F48 N12 O4 P8 Zn |
|---|---|
| Calculated formula | C140 H120 F48 N12 O4 P8 Zn |
| Title of publication | Cyclophane-Sustained Ultrastable Porphyrins. |
| Authors of publication | Liu, Wenqi; Lin, Chenjian; Weber, Jacob Andrew; Stern, Charlotte L.; Young, Ryan M.; Wasielewski, Michael R.; Stoddart, J. Fraser |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 14.6658 ± 0.0016 Å |
| b | 17.54 ± 0.002 Å |
| c | 19.039 ± 0.0019 Å |
| α | 108.894 ± 0.008° |
| β | 106.654 ± 0.008° |
| γ | 102.13 ± 0.008° |
| Cell volume | 4184 ± 0.9 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 298.97 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1265 |
| Residual factor for significantly intense reflections | 0.0928 |
| Weighted residual factors for significantly intense reflections | 0.2544 |
| Weighted residual factors for all reflections included in the refinement | 0.2863 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251095 (current) | 2020-04-23 | cif/ Adding structures of 4134789 via cif-deposit CGI script. |
4134789.cif |
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Users of the data should acknowledge the original authors of the
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