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Information card for entry 7228377
Preview
| Coordinates | 7228377.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione |
|---|---|
| Chemical name | 1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione |
| Formula | C45 H48 N3 O9 |
| Calculated formula | C45 H48 N3 O9 |
| Title of publication | Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state |
| Authors of publication | Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 8.7193 ± 0.0003 Å |
| b | 13.537 ± 0.0005 Å |
| c | 17.0293 ± 0.0007 Å |
| α | 90.53 ± 0.003° |
| β | 101.315 ± 0.003° |
| γ | 96.462 ± 0.003° |
| Cell volume | 1957.42 ± 0.13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0835 |
| Residual factor for significantly intense reflections | 0.064 |
| Weighted residual factors for significantly intense reflections | 0.1566 |
| Weighted residual factors for all reflections included in the refinement | 0.1701 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.191 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7228377.cif |
| 197186 | 2017-06-03 | cif/ Adding structures of 7228373, 7228374, 7228375, 7228376, 7228377, 7228378, 7228379, 7228380 via cif-deposit CGI script. |
7228377.cif |
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Users of the data should acknowledge the original authors of the
structural data.