Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7238948
Preview
| Coordinates | 7238948.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H22 N2 |
|---|---|
| Calculated formula | C15 H22 N2 |
| 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 | 10.0647 ± 0.0007 Å |
| b | 13.9863 ± 0.0012 Å |
| c | 20.4134 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2873.6 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.193 |
| Residual factor for significantly intense reflections | 0.0813 |
| Weighted residual factors for significantly intense reflections | 0.1213 |
| Weighted residual factors for all reflections included in the refinement | 0.1605 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| 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. |
7238948.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.