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Information card for entry 4135640
Preview
| Coordinates | 4135640.cif |
|---|---|
| Structure factors | 4135640.hkl |
| Original paper (by DOI) | HTML |
| Formula | C121 H65 Cl27 O4 |
|---|---|
| Calculated formula | C121 H65 Cl26.998 O4 |
| Title of publication | Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors |
| Authors of publication | Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2021 |
| Journal volume | 144 |
| Journal issue | 1 |
| Pages of publication | 556 - 572 |
| a | 18.667 ± 0.002 Å |
| b | 19.234 ± 0.002 Å |
| c | 16.2905 ± 0.0019 Å |
| α | 90° |
| β | 108.354 ± 0.005° |
| γ | 90° |
| Cell volume | 5551.4 ± 1.1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1504 |
| Residual factor for significantly intense reflections | 0.0884 |
| Weighted residual factors for significantly intense reflections | 0.2433 |
| Weighted residual factors for all reflections included in the refinement | 0.2903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272069 (current) | 2022-01-16 | cif/ hkl/ Adding structures of 4135640 via cif-deposit CGI script. |
4135640.cif 4135640.hkl |
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