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Information card for entry 1543475
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| Coordinates | 1543475.cif |
|---|---|
| Structure factors | 1543475.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-Bromo-1-(6-bromohexyl)indoline-2,3-dione |
|---|---|
| Formula | C14 H15 Br2 N O2 |
| Calculated formula | C14 H15 Br2 N O2 |
| SMILES | Brc1ccc2c(c1)C(=O)C(=O)N2CCCCCCBr |
| Title of publication | 5-Bromo-1-(6-bromohexyl)indoline-2,3-dione |
| Authors of publication | Kharbach, Yassine; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 6 |
| Pages of publication | x160883 |
| a | 4.6344 ± 0.0002 Å |
| b | 12.6284 ± 0.0006 Å |
| c | 25.3537 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1483.83 ± 0.12 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0591 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0649 |
| Weighted residual factors for all reflections included in the refinement | 0.0717 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183687 (current) | 2016-06-18 | cif/ hkl/ Adding structures of 1543475 via cif-deposit CGI script. |
1543475.cif 1543475.hkl |
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Users of the data should acknowledge the original authors of the
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