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Information card for entry 5000397
Preview
| Coordinates | 5000397.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4,6-Di(t-butyl)-1,2,3-triphenylfluoranthene |
|---|---|
| Formula | C43 H40 Cl2 |
| Calculated formula | C42 H38 |
| SMILES | c1(c(c(c2c(cc(c3c4ccccc4c1c23)C(C)(C)C)C(C)(C)C)c1ccccc1)c1ccccc1)c1ccccc1 |
| 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 | 13.3467 ± 0.0009 Å |
| b | 9.3553 ± 0.0005 Å |
| c | 27.408 ± 0.002 Å |
| α | 90° |
| β | 102.452 ± 0.002° |
| γ | 90° |
| Cell volume | 3341.7 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1065 |
| Residual factor for significantly intense reflections | 0.0575 |
| Weighted residual factors for all reflections | 0.1543 |
| Weighted residual factors for significantly intense reflections | 0.1372 |
| Goodness-of-fit parameter for all reflections | 0.969 |
| Goodness-of-fit parameter for significantly intense reflections | 1.144 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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