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Information card for entry 7223991
Preview
| Coordinates | 7223991.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2,6-bis(pyridine-4-ylethynyl)pyrazine |
|---|---|
| Formula | C18 H10 N4 |
| Calculated formula | C18 H10 N4 |
| SMILES | c1cc(ccn1)C#Cc1cncc(C#Cc2ccncc2)n1 |
| Title of publication | Pyrazine-based donor tectons: synthesis, self-assembly and characterization |
| Authors of publication | Bhowmick, Sourav; Chakraborty, Sourav; Marri, Subba R.; Behera, J. N.; Das, Neeladri |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 11 |
| Pages of publication | 8992 |
| a | 22.8914 ± 0.0008 Å |
| b | 5.7531 ± 0.0002 Å |
| c | 23.238 ± 0.0007 Å |
| α | 90° |
| β | 113.464 ± 0.004° |
| γ | 90° |
| Cell volume | 2807.3 ± 0.18 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0626 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1097 |
| Weighted residual factors for all reflections included in the refinement | 0.1214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 174842 (current) | 2016-01-23 | cif/ Adding structures of 7223991 via cif-deposit CGI script. |
7223991.cif |
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