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Information card for entry 2011533
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| Coordinates | 2011533.cif |
|---|---|
| Structure factors | 2011533.hkl |
| Original IUCr paper | HTML |
| Common name | Bert*I |
|---|---|
| Formula | C36 H49 I |
| Calculated formula | C36 H49 I |
| SMILES | CC(c1cc(cc(c1c1cccc(c1I)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C |
| Title of publication | A terphenyl halide series: 2,6-Trip~2~H~3~C~6~<i>X</i> (Trip = 2,4,6-triisopropylphenyl; <i>X</i> = Cl, Br, I) |
| Authors of publication | Twamley, Brendan; Ned J. Hardman; Philip P. Power |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 11 |
| Pages of publication | e514 - e515 |
| a | 8.11 ± 0.0013 Å |
| b | 25.549 ± 0.006 Å |
| c | 15.978 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3310.7 ± 1.6 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.074 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for all reflections included in the refinement | 0.186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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