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Information card for entry 7054206
Preview
| Coordinates | 7054206.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H24 I2 N6 |
|---|---|
| Calculated formula | C23 H24 I2 N6 |
| SMILES | [I-].[I-].N12Cc3c(N(C1)Cc1c2c([n+]2cn(C)cc2)ccc1)c(n1cc[n+](C)c1)ccc3 |
| 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 | 10.93 ± 0.0002 Å |
| b | 16.8443 ± 0.0003 Å |
| c | 14.0472 ± 0.0003 Å |
| α | 90° |
| β | 107.695 ± 0.003° |
| γ | 90° |
| Cell volume | 2463.85 ± 0.09 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298.15 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 | 0.060348 |
| Residual factor for significantly intense reflections | 0.05204 |
| Weighted residual factors for all reflections included in the refinement | 0.142201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04529 |
| 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. |
7054206.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. |
7054206.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. |
7054206.cif |
| 114008 | 2014-05-20 | cif/ Adding structures of 7054203, 7054204, 7054205, 7054206, 7054207, 7054208 via cif-deposit CGI script. |
7054206.cif |
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Users of the data should acknowledge the original authors of the
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