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Information card for entry 4125500
Preview
| Coordinates | 4125500.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H26 N4 O6 S2 |
|---|---|
| Calculated formula | C24 H26 N4 O6 S2 |
| SMILES | c1(ccc(c[nH+]1)N)c1ccc(c[nH+]1)N.O=S(=O)([O-])c1ccc(C)cc1.c1(S(=O)(=O)[O-])ccc(C)cc1 |
| 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 | 6.8608 ± 0.0008 Å |
| b | 7.4854 ± 0.0009 Å |
| c | 12.4733 ± 0.0011 Å |
| α | 94.583 ± 0.009° |
| β | 100.837 ± 0.009° |
| γ | 97.837 ± 0.009° |
| Cell volume | 619.6 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1115 |
| Residual factor for significantly intense reflections | 0.0882 |
| Weighted residual factors for significantly intense reflections | 0.2739 |
| Weighted residual factors for all reflections included in the refinement | 0.2879 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
| 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. |
4125500.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. |
4125500.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. |
4125500.cif |
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Users of the data should acknowledge the original authors of the
structural data.