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Information card for entry 2206777
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| Coordinates | 2206777.cif |
|---|---|
| Structure factors | 2206777.hkl |
| Original IUCr paper | HTML |
| Common name | 1,3-bis(9-ethylcarbazol-3-yl)propane |
|---|---|
| Chemical name | 1,3-bis(9-ethyl-9H-carbazol-3-yl)propane |
| Formula | C31 H30 N2 |
| Calculated formula | C31 H30 N2 |
| SMILES | n1(c2c(c3cc(ccc13)CCCc1ccc3n(c4c(c3c1)cccc4)CC)cccc2)CC |
| Title of publication | 1,3-Bis(9-ethylcarbazol-3-yl)propane |
| Authors of publication | Asker, Erol; Masnovi, John |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 9 |
| Pages of publication | o2781 - o2783 |
| a | 8.195 ± 0.0008 Å |
| b | 11.1921 ± 0.0008 Å |
| c | 26.931 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2470.1 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P 21 c a |
| Hall space group symbol | P -2ac 2a |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for all reflections included in the refinement | 0.129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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