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Information card for entry 7054204
Preview
| Coordinates | 7054204.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H20 N6 O |
|---|---|
| Calculated formula | C21 H20 N6 O |
| SMILES | O.n1ccn(c1)c1cccc2c1N1CN(C2)c2c(C1)cccc2n1cncc1 |
| Title of publication | Facile access to imidazole and imidazolium substituted dibenzo-diazocines |
| Authors of publication | Sathyanarayana, Arruri; Prabusankar, Ganesan |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2014 |
| Journal volume | 38 |
| Journal issue | 8 |
| Pages of publication | 3613 |
| a | 12.936 ± 0.0005 Å |
| b | 9.8962 ± 0.0003 Å |
| c | 15.4643 ± 0.0005 Å |
| α | 90° |
| β | 113.922 ± 0.004° |
| γ | 90° |
| Cell volume | 1809.64 ± 0.12 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.065177 |
| Residual factor for significantly intense reflections | 0.057767 |
| Weighted residual factors for all reflections included in the refinement | 0.15714 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04393 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7054204.cif |
| 180096 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/42. |
7054204.cif |
| 121740 | 2014-08-08 | cif/ Updating files of 7054203, 7054204, 7054205, 7054206, 7054207, 7054208 Original log message: Adding full bibliography for 7054203--7054208.cif. |
7054204.cif |
| 114008 | 2014-05-20 | cif/ Adding structures of 7054203, 7054204, 7054205, 7054206, 7054207, 7054208 via cif-deposit CGI script. |
7054204.cif |
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