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Information card for entry 1559022
Preview
| Coordinates | 1559022.cif |
|---|---|
| Structure factors | 1559022.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 11,11-Diphenyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline |
|---|---|
| Formula | C27 H18 N2 |
| Calculated formula | C27 H18 N2 |
| SMILES | n1c2C(c3ccccc3)(c3ccccc3)c3ccccc3c2nc2c1cccc2 |
| Title of publication | 11,11-Diphenyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline |
| Authors of publication | Chen, Lin; Hu, Jin; Wu, Li-Li; Sun, Hong-Shun |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 9 |
| Pages of publication | x201213 |
| a | 9.642 ± 0.005 Å |
| b | 11.407 ± 0.005 Å |
| c | 17.858 ± 0.008 Å |
| α | 90° |
| β | 103.606 ± 0.005° |
| γ | 90° |
| Cell volume | 1909 ± 1.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.0616 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.0975 |
| Weighted residual factors for all reflections included in the refinement | 0.1081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1559022.cif 1559022.hkl |
| 256248 | 2020-09-09 | cif/ hkl/ Adding structures of 1559022 via cif-deposit CGI script. |
1559022.cif 1559022.hkl |
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Users of the data should acknowledge the original authors of the
structural data.