Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7238954
Preview
| Coordinates | 7238954.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 | 15.422 ± 0.0012 Å |
| b | 9.7194 ± 0.0006 Å |
| c | 17.4527 ± 0.0016 Å |
| α | 90° |
| β | 110.396 ± 0.01° |
| γ | 90° |
| Cell volume | 2452 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.2132 |
| Residual factor for significantly intense reflections | 0.0748 |
| Weighted residual factors for significantly intense reflections | 0.1758 |
| Weighted residual factors for all reflections included in the refinement | 0.2186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.851 |
| 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. |
7238954.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.