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Information card for entry 4038413
Preview
| Coordinates | 4038413.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C45 H40 N4 O12 S4 |
|---|---|
| Calculated formula | C45 H40 N4 O12 S4 |
| SMILES | S(=O)(=O)([O-])c1cc2ccc(S(=O)(=O)[O-])cc2cc1.S(=O)(=O)([O-])c1cc2ccc(S(=O)(=O)[O-])cc2cc1.[NH3+]c1ccc(C(c2ccc([NH3+])cc2)(c2ccc([NH3+])cc2)c2ccc([NH3+])cc2)cc1 |
| Title of publication | The charge-assisted hydrogen-bonded organic framework (CAHOF) self-assembled from the conjugated acid of tetrakis(4-aminophenyl)methane and 2,6-naphthalenedisulfonate as a new class of recyclable Brønsted acid catalysts |
| Authors of publication | Kuznetsova, Svetlana A.; Gak, Alexander S.; Nelyubina, Yulia V.; Larionov, Vladimir A.; Li, Han; North, Michael; Zhereb, Vladimir P.; Smol'yakov, Alexander F.; Dmitrienko, Artem O.; Medvedev, Michael G.; Gerasimov, Igor S.; Saghyan, Ashot S.; Belokon, Yuri N. |
| Journal of publication | Beilstein Journal of Organic Chemistry |
| Year of publication | 2020 |
| Journal volume | 16 |
| Pages of publication | 1124 - 1134 |
| a | 13.416 ± 0.007 Å |
| b | 13.887 ± 0.007 Å |
| c | 22.73 ± 0.012 Å |
| α | 88.564 ± 0.008° |
| β | 87.351 ± 0.008° |
| γ | 89.836 ± 0.009° |
| Cell volume | 4229 ± 4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.1772 |
| Residual factor for significantly intense reflections | 0.104 |
| Weighted residual factors for significantly intense reflections | 0.2283 |
| Weighted residual factors for all reflections included in the refinement | 0.2786 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4038413.cif |
| 258197 | 2020-10-07 | cif/ Updating files of 4038412, 4038413 Original log message: Adding full bibliography for 4038412--4038413.cif. |
4038413.cif |
| 252372 | 2020-05-27 | cif/ Adding structures of 4038413 via cif-deposit CGI script. |
4038413.cif |
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