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Information card for entry 4519351
Preview
| Coordinates | 4519351.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H18 Br4 N4 |
|---|---|
| Calculated formula | C32 H18 Br4 N4 |
| SMILES | Brc1cccc2c(c[nH]c12)c1[nH]c2c(c1c1c([nH]c3c1cccc3Br)c1c[nH]c3c1cccc3Br)cccc2Br |
| Title of publication | Diindolylamine Preparation and Stability Investigations. |
| Authors of publication | Boice, Geneviève N; Patrick, Brian O.; Hicks, Robin G. |
| Journal of publication | ACS omega |
| Year of publication | 2022 |
| Journal volume | 7 |
| Journal issue | 6 |
| Pages of publication | 5197 - 5205 |
| a | 12.6185 ± 0.0008 Å |
| b | 12.3442 ± 0.0007 Å |
| c | 17.9746 ± 0.001 Å |
| α | 90° |
| β | 103.4 ± 0.001° |
| γ | 90° |
| Cell volume | 2723.6 ± 0.3 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 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 | 0.0759 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.0795 |
| Weighted residual factors for all reflections included in the refinement | 0.0895 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273258 (current) | 2022-03-03 | cif/ Adding structures of 4519351 via cif-deposit CGI script. |
4519351.cif |
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Users of the data should acknowledge the original authors of the
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