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Information card for entry 1529392
Preview
| Coordinates | 1529392.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | LadderA |
|---|---|
| Formula | C32 H36 N2 O2 |
| Calculated formula | C32 H36 N2 O2 |
| SMILES | C1(=O)c2ccccc2c2cc3c(c4c(C(=O)N3CCCCCC)cccc4)cc2N1CCCCCC |
| Title of publication | Amide-bridged ladder poly(p-phenylene): synthesis by direct arylation and π-stacked assembly |
| Authors of publication | Takagi, K.; Kato, R.; Yamamoto, S.; Masu, H. |
| Journal of publication | Polym. Chem. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 38 |
| Pages of publication | 6792 |
| a | 30.3531 ± 0.001 Å |
| b | 5.0918 ± 0.0002 Å |
| c | 16.0639 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2482.71 ± 0.15 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0862 |
| Residual factor for significantly intense reflections | 0.0706 |
| Weighted residual factors for significantly intense reflections | 0.1849 |
| Weighted residual factors for all reflections included in the refinement | 0.1994 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1529392.cif |
| 162238 | 2015-10-09 | cif/ Updating files of 1529392 Original log message: Adding full bibliography for 1529392.cif. |
1529392.cif |
| 153352 | 2015-08-12 | cif/ Adding structures of 1529392 via cif-deposit CGI script. |
1529392.cif |
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Users of the data should acknowledge the original authors of the
structural data.