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Information card for entry 2007240
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| Coordinates | 2007240.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2,2'-bibenzoxazole |
|---|---|
| Formula | C14 H8 N2 O2 |
| Calculated formula | C14 H8 N2 O2 |
| SMILES | c1ccc2c(c1)oc(n2)c1nc2c(o1)cccc2 |
| Title of publication | 2,2'-Bibenzoxazole |
| Authors of publication | F. Ekkehardt Hahn; Lutz Imhof; Thomas Lügger |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 5 |
| Pages of publication | 668 - 669 |
| a | 4.644 ± 0.003 Å |
| b | 16.559 ± 0.005 Å |
| c | 7.007 ± 0.003 Å |
| α | 90° |
| β | 94.19 ± 0.04° |
| γ | 90° |
| Cell volume | 537.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0533 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for all reflections included in the refinement | 0.1328 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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