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Information card for entry 7238950
Preview
| Coordinates | 7238950.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H16 N2 O |
|---|---|
| Calculated formula | C14 H16 N2 O |
| 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 | 12.9488 ± 0.0007 Å |
| b | 14.6721 ± 0.0012 Å |
| c | 25.565 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4857 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.2501 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.0597 |
| Weighted residual factors for all reflections included in the refinement | 0.0834 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.709 |
| 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. |
7238950.cif |
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Users of the data should acknowledge the original authors of the
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