Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4111503
Preview
| Coordinates | 4111503.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H32.5 Cl N2 O0.25 Rh |
|---|---|
| Calculated formula | C30 H32.5 Cl N2 O0.25 Rh |
| Title of publication | Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes |
| Authors of publication | Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2005 |
| Journal volume | 127 |
| Pages of publication | 3290 - 3291 |
| a | 10.8871 ± 0.0012 Å |
| b | 15.1353 ± 0.0017 Å |
| c | 16.6062 ± 0.0018 Å |
| α | 87.413 ± 0.005° |
| β | 89.292 ± 0.005° |
| γ | 76.47 ± 0.005° |
| Cell volume | 2657.7 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.065 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0874 |
| Weighted residual factors for all reflections included in the refinement | 0.0949 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4111503.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4111503.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4111503.cif |
| 63103 | 2012-07-18 | cif/ Adding structures of 4111503 via cif-deposit CGI script. |
4111503.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.