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Information card for entry 7228376
Preview
| Coordinates | 7228376.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methoxyindoline-2,3-dione) |
|---|---|
| Chemical name | 1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methoxyindoline-2,3-dione) |
| Formula | C39.88 H33.88 Cl2.64 N3 O9 |
| Calculated formula | C39.88 H33.88 Cl2.64 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 | 10.7009 ± 0.0005 Å |
| b | 13.6335 ± 0.0007 Å |
| c | 14.0704 ± 0.0007 Å |
| α | 115.146 ± 0.003° |
| β | 94.041 ± 0.004° |
| γ | 98.252 ± 0.004° |
| Cell volume | 1819.05 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.038 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0889 |
| Weighted residual factors for all reflections included in the refinement | 0.0923 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197186 (current) | 2017-06-03 | cif/ Adding structures of 7228373, 7228374, 7228375, 7228376, 7228377, 7228378, 7228379, 7228380 via cif-deposit CGI script. |
7228376.cif |
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Users of the data should acknowledge the original authors of the
structural data.