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Information card for entry 1561446
Preview
| Coordinates | 1561446.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H24 N6 |
|---|---|
| Calculated formula | C38 H24 N6 |
| SMILES | c1(ccc(cc1)n1nc2c(n1)C1c3c(C2c2c1cccc2)cccc3)n1nc2c(n1)C1c3c(C2c2c1cccc2)cccc3 |
| Title of publication | Non-stackable molecules assemble into porous crystals displaying concerted cavity-changing motions |
| Authors of publication | Kang, Taewon; Kim, Hongsik; Jeoung, Sungeun; Moon, Dohyun; Moon, Hoi Ri; Lee, Dongwhan |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 6.429 ± 0.0013 Å |
| b | 14.653 ± 0.003 Å |
| c | 15.517 ± 0.003 Å |
| α | 90° |
| β | 94.96 ± 0.03° |
| γ | 90° |
| Cell volume | 1456.3 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2053 |
| Residual factor for significantly intense reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.1452 |
| Weighted residual factors for all reflections included in the refinement | 0.185 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.791 |
| Diffraction radiation wavelength | 0.7 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263538 (current) | 2021-04-02 | cif/ Adding structures of 1561445, 1561446, 1561447, 1561448, 1561449, 1561450, 1561451, 1561452 via cif-deposit CGI script. |
1561446.cif |
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Users of the data should acknowledge the original authors of the
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