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Information card for entry 4116375
Preview
| Coordinates | 4116375.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Phenyltercubyl |
|---|---|
| Formula | C30 H24 |
| Calculated formula | C30 H24 |
| SMILES | C12(C3C4C5(C3C1C5C24)C12C3C4C5(C3C1C5C24)C12C3C4C5C3C1C5C24)c1ccccc1 |
| Title of publication | Building with Cubane-1,4-diyl. Synthesis of Aryl-Substituted Cubanes, p-[n]Cubyls, and Cubane-Separated Bis(arenes)1 |
| Authors of publication | Eaton, Philip E.; Pramod, Kakumanu; Emrick, Todd; Gilardi, Richard |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1999 |
| Journal volume | 121 |
| Journal issue | 17 |
| Pages of publication | 4111 - 4123 |
| a | 10.258 ± 0.002 Å |
| b | 6.067 ± 0.0015 Å |
| c | 62.852 ± 0.017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3911.6 ± 1.6 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.1793 |
| Residual factor for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections | 0.3269 |
| Weighted residual factors for significantly intense reflections | 0.2133 |
| Goodness-of-fit parameter for all reflections | 1.05 |
| Goodness-of-fit parameter for significantly intense reflections | 1.229 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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