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Information card for entry 1543349
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| Coordinates | 1543349.cif |
|---|---|
| Structure factors | 1543349.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-Bromo-1-nonylindoline-2,3-dione |
|---|---|
| Formula | C17 H22 Br N O2 |
| Calculated formula | C17 H22 Br N O2 |
| SMILES | Brc1cc2c(cc1)N(C(=O)C2=O)CCCCCCCCC |
| Title of publication | 5-Bromo-1-nonylindoline-2,3-dione |
| Authors of publication | Kharbach, Yassine; Haoudi, Amal; Capet, Frédéric; Mazzah, Ahmed; El Ammari, Lahcen |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 5 |
| Pages of publication | x160791 |
| a | 4.8428 ± 0.0002 Å |
| b | 31.7181 ± 0.0014 Å |
| c | 10.7171 ± 0.0005 Å |
| α | 90° |
| β | 101.206 ± 0.002° |
| γ | 90° |
| Cell volume | 1614.81 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0323 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.0588 |
| Weighted residual factors for all reflections included in the refinement | 0.0608 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183065 (current) | 2016-05-21 | cif/ hkl/ Adding structures of 1543349 via cif-deposit CGI script. |
1543349.cif 1543349.hkl |
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