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Information card for entry 4133674
Preview
| Coordinates | 4133674.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | P7 |
|---|---|
| Formula | C29 H27 N12 S |
| Calculated formula | C29 H27 N12 S0.995 |
| Title of publication | Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion. |
| Authors of publication | Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 27 |
| Pages of publication | 10915 - 10923 |
| a | 20.144 ± 0.0003 Å |
| b | 34.7052 ± 0.0004 Å |
| c | 42.3035 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 29574.4 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1489 |
| Residual factor for significantly intense reflections | 0.1365 |
| Weighted residual factors for significantly intense reflections | 0.4046 |
| Weighted residual factors for all reflections included in the refinement | 0.4231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.733 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.61992 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243411 (current) | 2019-11-26 | cif/ Adding structures of 4133674 via cif-deposit CGI script. |
4133674.cif |
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Users of the data should acknowledge the original authors of the
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