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Information card for entry 2008149
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| Coordinates | 2008149.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | dibenzobarrelene |
|---|---|
| Chemical name | [2,3:5,6]Dibenzo[2.2.2]octa-2,5,7-triene |
| Formula | C16 H12 |
| Calculated formula | C16 H12 |
| SMILES | c1cccc2c1C1c3ccccc3C2C=C1 |
| Title of publication | [2,3:5,6]Dibenzo[2.2.2]octa-2,5,7-triene (<i>C</i>2/<i>c</i>) and [2,3:5,6]dibenzo[2.2.2]octa-2,5-diene |
| Authors of publication | Burrows, Lary; Masnovi, John; Baker, Ronald J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 2 |
| Pages of publication | 236 - 239 |
| a | 14.4077 ± 0.0011 Å |
| b | 8.0758 ± 0.0007 Å |
| c | 19.0278 ± 0.0008 Å |
| α | 90° |
| β | 92.95 ± 0.005° |
| γ | 90° |
| Cell volume | 2211 ± 0.3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 2 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.038 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for all reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.06 |
| Diffraction radiation wavelength | 0.7093 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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