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Information card for entry 2242432
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| Coordinates | 2242432.cif |
|---|---|
| Structure factors | 2242432.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,3-Bis(4-methylphenyl)benzo[<i>g</i>]quinoxaline |
|---|---|
| Formula | C26 H20 N2 |
| Calculated formula | C26 H20 N2 |
| SMILES | n1c(c(nc2cc3ccccc3cc12)c1ccc(cc1)C)c1ccc(cc1)C |
| Title of publication | Crystal structure of 2,3-bis(4-methylphenyl)benzo[<i>g</i>]quinoxaline |
| Authors of publication | Kim, Young-Inn; Yun, Seong-Jae; Kang, Sung Kwon |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 4 |
| Pages of publication | 548 - 550 |
| a | 6.0814 ± 0.0001 Å |
| b | 21.5212 ± 0.0004 Å |
| c | 14.8312 ± 0.0003 Å |
| α | 90° |
| β | 91.2496 ± 0.0011° |
| γ | 90° |
| Cell volume | 1940.63 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1071 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1016 |
| Weighted residual factors for all reflections included in the refinement | 0.1238 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207094 (current) | 2018-03-24 | cif/ hkl/ Adding structures of 2242432 via cif-deposit CGI script. |
2242432.cif 2242432.hkl |
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Users of the data should acknowledge the original authors of the
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