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Information card for entry 7120424
Preview
| Coordinates | 7120424.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H21 N3 O6 |
|---|---|
| Calculated formula | C33 H21 N3 O6 |
| SMILES | c12C(=O)N(C(=O)c1c1C(=O)N(C(=O)c1c1C(=O)N(C(=O)c21)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1 |
| Title of publication | One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds |
| Authors of publication | Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 14.2424 ± 0.0018 Å |
| b | 13.5392 ± 0.0017 Å |
| c | 26.421 ± 0.003 Å |
| α | 90° |
| β | 91.0247 ± 0.0017° |
| γ | 90° |
| Cell volume | 5094 ± 1.1 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0439 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.1003 |
| Weighted residual factors for all reflections included in the refinement | 0.1054 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7120424.cif |
| 198655 | 2017-07-12 | cif/ Adding structures of 7120422, 7120423, 7120424, 7120425, 7120426, 7120427, 7120428, 7120429, 7120430, 7120431, 7120432, 7120433, 7120434, 7120435, 7120436 via cif-deposit CGI script. |
7120424.cif |
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Users of the data should acknowledge the original authors of the
structural data.