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Information card for entry 2011065
Preview
| Coordinates | 2011065.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C20 H14 N4 |
|---|---|
| Calculated formula | C20 H14 N4 |
| SMILES | n1c2c(cccc2)[nH]c1c1ccc(c2nc3c(cccc3)[nH]2)cc1 |
| Title of publication | 1,4-Bis(2-benzimidazolyl)benzene |
| Authors of publication | Bei, Fengli; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 6 |
| Pages of publication | 718 - 719 |
| a | 10.24 ± 0.0003 Å |
| b | 9.7505 ± 0.0002 Å |
| c | 15.031 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1500.77 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.111 |
| Residual factor for significantly intense reflections | 0.0667 |
| Weighted residual factors for all reflections included in the refinement | 0.1551 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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