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Information card for entry 1507660
Preview
| Coordinates | 1507660.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H24 Cl2 N2 O6 |
|---|---|
| Calculated formula | C22 H24 Cl2 N2 O6 |
| SMILES | ClCCl.O=N(=O)c1cc2c(cc1O)C1(c3cc(O)c(N(=O)=O)cc3C(C)(C)C1)CC2(C)C |
| Title of publication | Synthesis and Gas Transport Properties of Hydroxyl-Functionalized Polyimides with Intrinsic Microporosity |
| Authors of publication | Ma, Xiaohua; Swaidan, Raja; Belmabkhout, Youssef; Zhu, Yihan; Litwiller, Eric; Jouiad, Mustapha; Pinnau, Ingo; Han, Yu |
| Journal of publication | Macromolecules |
| Year of publication | 2012 |
| Journal volume | 45 |
| Journal issue | 9 |
| Pages of publication | 3841 |
| a | 10.7706 ± 0.001 Å |
| b | 10.9426 ± 0.0008 Å |
| c | 11.4633 ± 0.0007 Å |
| α | 67.709 ± 0.006° |
| β | 72.198 ± 0.007° |
| γ | 65.797 ± 0.008° |
| Cell volume | 1121.99 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0448 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0864 |
| Weighted residual factors for all reflections included in the refinement | 0.0924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1507660.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507660.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507660.cif |
| 59763 | 2012-06-13 | cif/ Adding structures of 1507660 via cif-deposit CGI script. |
1507660.cif |
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Users of the data should acknowledge the original authors of the
structural data.