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Information card for entry 2200082
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| Coordinates | 2200082.cif |
|---|---|
| Structure factors | 2200082.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(4-Pyridyl)pyrrolo[3,2-h]quinoline |
|---|---|
| Formula | C32 H22 N6 |
| Calculated formula | C32 H22 N6 |
| SMILES | [nH]1c(cc2ccc3cccnc3c12)c1ccncc1 |
| Title of publication | 2-(4-Pyridyl)pyrrolo[3,2-<i>h</i>]quinoline |
| Authors of publication | Lynch, Daniel E.; McClenaghan, Ian; Light, Mark E. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 1 |
| Pages of publication | o56 - o57 |
| a | 19.3539 ± 0.0008 Å |
| b | 6.8609 ± 0.0003 Å |
| c | 19.3579 ± 0.0008 Å |
| α | 90° |
| β | 112.325 ± 0.002° |
| γ | 90° |
| Cell volume | 2377.77 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.07 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for all reflections included in the refinement | 0.109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.89 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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