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Information card for entry 5000398
Preview
| Coordinates | 5000398.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 5,6,8-Tri(t-butyl)-1,2,3,4-tetraphenylnaphthalene |
|---|---|
| Formula | C46 H48 |
| Calculated formula | C46 H48 |
| Title of publication | Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone |
| Authors of publication | Jiajia Zhang; Douglas M. Ho; Robert A. Pascal |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2001 |
| Journal volume | 123 |
| Pages of publication | 10919 - 10926 |
| a | 10.1358 ± 0.0009 Å |
| b | 16.5748 ± 0.0014 Å |
| c | 22.172 ± 0.002 Å |
| α | 76.86 ± 0.004° |
| β | 82.762 ± 0.004° |
| γ | 75.525 ± 0.004° |
| Cell volume | 3502.7 ± 0.5 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.2174 |
| Residual factor for significantly intense reflections | 0.0944 |
| Weighted residual factors for all reflections | 0.1714 |
| Weighted residual factors for significantly intense reflections | 0.1331 |
| Goodness-of-fit parameter for all reflections | 1.049 |
| Goodness-of-fit parameter for significantly intense reflections | 1.259 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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