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Information card for entry 2007280
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| Coordinates | 2007280.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 4,5-9,10-Dicyclodexapyrene |
|---|---|
| Formula | C24 H26 |
| Calculated formula | C24 H26 |
| SMILES | C1CC[C@@H]2[C@@H](C1)c1cccc3c1c1c2cccc1[C@@H]1[C@@H]3CCCC1 |
| Title of publication | Structural Investigation of Biphenyl Derivatives |
| Authors of publication | Nieger, Martin; Hupfer, Heike; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 5 |
| Pages of publication | 656 - 659 |
| a | 5.308 ± 0.001 Å |
| b | 7.781 ± 0.001 Å |
| c | 10.453 ± 0.001 Å |
| α | 99.38 ± 0.01° |
| β | 95.87 ± 0.01° |
| γ | 99.93 ± 0.01° |
| Cell volume | 415.78 ± 0.11 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0567 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for all reflections included in the refinement | 0.1254 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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