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Information card for entry 7238949
Preview
| Coordinates | 7238949.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H24 N4 |
|---|---|
| Calculated formula | C22 H24 N4 |
| Title of publication | Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features |
| Authors of publication | Mahanta, Sanjeev P.; Panda, Pradeepta K. |
| Journal of publication | RSC Adv. |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 18 |
| Pages of publication | 6614 |
| a | 8.531 ± 0.003 Å |
| b | 18.801 ± 0.007 Å |
| c | 11.864 ± 0.005 Å |
| α | 90° |
| β | 108.015 ± 0.006° |
| γ | 90° |
| Cell volume | 1809.6 ± 1.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.3165 |
| Residual factor for significantly intense reflections | 0.0777 |
| Weighted residual factors for significantly intense reflections | 0.1658 |
| Weighted residual factors for all reflections included in the refinement | 0.2637 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.856 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244475 (current) | 2019-11-28 | cif/ Adding structures of 7238948, 7238949, 7238950, 7238951, 7238952, 7238953, 7238954 via cif-deposit CGI script. |
7238949.cif |
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Users of the data should acknowledge the original authors of the
structural data.