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Information card for entry 7236549
Preview
| Coordinates | 7236549.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H35 N17 O2 |
|---|---|
| Calculated formula | C28 H35 N17 O2 |
| Title of publication | A microporous hydrogen-bonded organic framework with amine sites for selective recognition of small molecules |
| Authors of publication | Wang, Hailong; Wu, Hui; Kan, Jinglan; Chang, Ganggang; Yao, Zizhu; Li, Bin; Zhou, Wei; Xiang, Shengchang; Cong-Gui Zhao, John; Chen, Banglin |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 18 |
| Pages of publication | 8292 |
| a | 10.8777 ± 0.001 Å |
| b | 11.758 ± 0.0012 Å |
| c | 15.752 ± 0.0013 Å |
| α | 80.409 ± 0.007° |
| β | 86.674 ± 0.007° |
| γ | 68.799 ± 0.009° |
| Cell volume | 1852.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.16 K |
| Ambient diffraction temperature | 100 ± 0.16 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1386 |
| Residual factor for significantly intense reflections | 0.1037 |
| Weighted residual factors for significantly intense reflections | 0.2951 |
| Weighted residual factors for all reflections included in the refinement | 0.3184 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.332 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236549.cif |
| 236300 | 2019-11-24 | cif/ Adding structures of 7236549, 7236550, 7236551 via cif-deposit CGI script. |
7236549.cif |
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Users of the data should acknowledge the original authors of the
structural data.