Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7240878
Preview
| Coordinates | 7240878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2-one |
|---|---|
| Formula | C27 H36 N2 O0.88 |
| Calculated formula | C27 H36 N2 O0.883 |
| Title of publication | Disappearing Disorder |
| Authors of publication | Dittrich, Birger; Sever, Christoph; Luebben, Jens |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 19.2433 ± 0.0019 Å |
| b | 6.5415 ± 0.0007 Å |
| c | 20.661 ± 0.002 Å |
| α | 90° |
| β | 108.965 ± 0.006° |
| γ | 90° |
| Cell volume | 2459.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0686 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1192 |
| Weighted residual factors for all reflections included in the refinement | 0.1327 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254329 (current) | 2020-07-16 | cif/ Adding structures of 7240869, 7240870, 7240871, 7240872, 7240873, 7240874, 7240875, 7240876, 7240877, 7240878, 7240879, 7240880, 7240881, 7240882 via cif-deposit CGI script. |
7240878.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.