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Information card for entry 4125499
Preview
| Coordinates | 4125499.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H32 N2 O8 S2 |
|---|---|
| Calculated formula | C28 H32 N2 O8 S2 |
| SMILES | Cc1ccc(cc1)S(=O)(=O)[O-].c1(ccc(cc1OC)c1ccc([NH3+])c(OC)c1)[NH3+].Cc1ccc(cc1)S(=O)(=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 | 21.814 ± 0.005 Å |
| b | 5.665 ± 0.005 Å |
| c | 23.078 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 101.57 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 2794 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.092 |
| Residual factor for significantly intense reflections | 0.0655 |
| Weighted residual factors for significantly intense reflections | 0.12 |
| Weighted residual factors for all reflections included in the refinement | 0.1301 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
4125499.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. |
4125499.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. |
4125499.cif |
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Users of the data should acknowledge the original authors of the
structural data.