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Information card for entry 4125502
Preview
| Coordinates | 4125502.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H15 N3 O5 S |
|---|---|
| Calculated formula | C13 H15 N3 O5 S |
| SMILES | Cc1ccc(cc1)S(=O)(=O)[O-].c1(cc(ccc1N)[NH3+])N(=O)=O |
| Title of publication | Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process. |
| Authors of publication | Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 5 |
| Pages of publication | 1856 - 1862 |
| a | 6.7115 ± 0.0002 Å |
| b | 12.5511 ± 0.0003 Å |
| c | 17.2878 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1456.27 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.038 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0966 |
| Weighted residual factors for all reflections included in the refinement | 0.0983 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4125502.cif |
| 193495 | 2017-03-04 | cif/ Updating files of 4125492, 4125493, 4125494, 4125495, 4125496, 4125497, 4125498, 4125499, 4125500, 4125501, 4125502 Original log message: Adding full bibliography for 4125492--4125502.cif. |
4125502.cif |
| 192561 | 2017-03-01 | cif/ Adding structures of 4125492, 4125493, 4125494, 4125495, 4125496, 4125497, 4125498, 4125499, 4125500, 4125501, 4125502 via cif-deposit CGI script. |
4125502.cif |
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Users of the data should acknowledge the original authors of the
structural data.