Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2228027
Preview
| Coordinates | 2228027.cif |
|---|---|
| Structure factors | 2228027.hkl |
| Original IUCr paper | HTML |
| Common name | 1H-imidazole |
|---|---|
| Chemical name | 4,5-Dimethyl-1,2-diphenyl-1<i>H</i>-imidazole monohydrate |
| Formula | C17 H18 N2 O |
| Calculated formula | C17 H18 N2 O |
| Title of publication | 4,5-Dimethyl-1,2-diphenyl-1<i>H</i>-imidazole monohydrate |
| Authors of publication | Gayathri, P.; Thiruvalluvar, A.; Saravanan, K.; Jayabharathi, J.; Butcher, R. J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | o2219 |
| a | 25.5498 ± 0.0002 Å |
| b | 25.5498 ± 0.0002 Å |
| c | 9.3792 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6122.67 ± 0.09 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0494 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1287 |
| Weighted residual factors for all reflections included in the refinement | 0.134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181201 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/80. |
2228027.cif 2228027.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228027.cif 2228027.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228027.cif 2228027.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2228027.cif 2228027.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228027.cif 2228027.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2228027.cif 2228027.hkl |
| 5064 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2228027 via cif-deposit CGI script. |
2228027.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.