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Information card for entry 1553656
Preview
| Coordinates | 1553656.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C73.1 H89.96 Cl1.55 N12 O1.89 |
|---|---|
| Calculated formula | C73.095 H87.765 Cl1.551 N12 O1.893 |
| Title of publication | A solution-processable dissymmetric porous organic cage |
| Authors of publication | Slater, A. G.; Little, M. A.; Briggs, M. E.; Jelfs, K. E.; Cooper, A. I. |
| Journal of publication | Molecular Systems Design & Engineering |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 1 |
| Pages of publication | 223 |
| a | 24.483 ± 0.0011 Å |
| b | 24.483 ± 0.0011 Å |
| c | 19.6123 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 10181 ± 0.8 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0731 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1563 |
| Weighted residual factors for all reflections included in the refinement | 0.1666 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235693 (current) | 2019-11-24 | cif/ Adding structures of 1553655, 1553656 via cif-deposit CGI script. |
1553656.cif |
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Users of the data should acknowledge the original authors of the
structural data.