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Information card for entry 2022322
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| Coordinates | 2022322.cif |
|---|---|
| Structure factors | 2022322.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>rtct</i>-1,2,3,4-Tetrakis(pyridin-4-yl)cyclobutane |
|---|---|
| Formula | C24 H20 N4 |
| Calculated formula | C24 H20 N4 |
| SMILES | n1ccc(C2C(C(C2c2ccncc2)c2ccncc2)c2ccncc2)cc1 |
| Title of publication | Honeycomb molecular network based upon a hydrate of 4,6-dichlororesorcinol and the photoproduct <i>rtct</i>-tetrakis(pyridin-4-yl)cyclobutane |
| Authors of publication | Santana, Carlos L.; Battle, Jessica D.; Unruh, Daniel K.; Groeneman, Ryan H. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 2 |
| Pages of publication | 111 - 115 |
| a | 29.76986 ± 0.00018 Å |
| b | 8.91767 ± 0.00004 Å |
| c | 14.70912 ± 0.00008 Å |
| α | 90° |
| β | 99.2973 ± 0.0006° |
| γ | 90° |
| Cell volume | 3853.65 ± 0.04 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.04 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1017 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262768 (current) | 2021-03-05 | cif/ Updating files of 2022322, 2022323 Original log message: Adding full bibliography for 2022322--2022323.cif. |
2022322.cif 2022322.hkl |
| 261169 | 2021-01-23 | cif/ hkl/ Adding structures of 2022322, 2022323 via cif-deposit CGI script. |
2022322.cif 2022322.hkl |
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Users of the data should acknowledge the original authors of the
structural data.