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Information card for entry 1557980
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| Coordinates | 1557980.cif |
|---|---|
| Structure factors | 1557980.hkl |
| Original IUCr paper | HTML |
| Common name | 2,3-Diethylbenzo[g]quinoxaline |
|---|---|
| Chemical name | 2,3-Diethylbenzo[<i>g</i>]quinoxaline |
| Formula | C16 H16 N2 |
| Calculated formula | C16 H16 N2 |
| SMILES | CCc1c(CC)nc2c(cc3ccccc3c2)n1 |
| Title of publication | 2,3-Diethylbenzo[<i>g</i>]quinoxaline |
| Authors of publication | Crundwell, Guy; Leeds, Ashley |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 4 |
| Pages of publication | x200454 |
| a | 13.93535 ± 0.00018 Å |
| b | 13.93535 ± 0.00018 Å |
| c | 13.1629 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2556.16 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor for all reflections | 0.0627 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1256 |
| Weighted residual factors for all reflections included in the refinement | 0.136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251360 (current) | 2020-05-01 | cif/ hkl/ Adding structures of 1557980 via cif-deposit CGI script. |
1557980.cif 1557980.hkl |
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Users of the data should acknowledge the original authors of the
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