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Information card for entry 1545486
Preview
| Coordinates | 1545486.cif |
|---|---|
| Structure factors | 1545486.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-Hydroxy-3-(2-oxo-2,3-dihydro-1<i>H</i>-indol-3-yl)-2,3-dihydro-1<i>H</i>-indol-2-one |
|---|---|
| Formula | C16 H12 N2 O3 |
| Calculated formula | C16 H12 N2 O3 |
| SMILES | O=C1Nc2ccccc2[C@]1(O)[C@H]1C(=O)Nc2ccccc12.O=C1Nc2ccccc2[C@@]1(O)[C@@H]1C(=O)Nc2ccccc12 |
| Title of publication | 3-Hydroxy-3-(2-oxo-2,3-dihydro-1<i>H</i>-indol-3-yl)-2,3-dihydro-1<i>H</i>-indol-2-one |
| Authors of publication | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Adam, Mohamed Shaker S.; Hawaiz, Farouq E. |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 2 |
| Pages of publication | x170139 |
| a | 7.7193 ± 0.0003 Å |
| b | 8.6977 ± 0.0003 Å |
| c | 9.5907 ± 0.0004 Å |
| α | 90.457 ± 0.002° |
| β | 95.07 ± 0.002° |
| γ | 90.627 ± 0.002° |
| Cell volume | 641.34 ± 0.04 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0469 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.1011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193948 (current) | 2017-03-05 | cif/ hkl/ Adding structures of 1545486 via cif-deposit CGI script. |
1545486.cif 1545486.hkl |
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