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Information card for entry 4038708
Preview
| Coordinates | 4038708.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H40 |
|---|---|
| Calculated formula | C58 H40 |
| Title of publication | Triflic Acid-Promoted Adamantylation and <i>tert</i>-Butylation of Pyrene: Fluorescent Properties of Pyrene-Decorated Adamantanes and a Channeled Crystal Structure of 1,3,5-Tris(pyren-2-yl)adamantane. |
| Authors of publication | Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 8.0569 ± 0.0004 Å |
| b | 17.1074 ± 0.0009 Å |
| c | 17.4187 ± 0.0009 Å |
| α | 117.369 ± 0.005° |
| β | 91.41 ± 0.004° |
| γ | 93.755 ± 0.004° |
| Cell volume | 2123.5 ± 0.2 Å3 |
| Cell temperature | 120 ± 0.1 K |
| Ambient diffraction temperature | 120 ± 0.1 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 | 0.0999 |
| Residual factor for significantly intense reflections | 0.0811 |
| Weighted residual factors for significantly intense reflections | 0.1957 |
| Weighted residual factors for all reflections included in the refinement | 0.2067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255559 (current) | 2020-08-22 | cif/ Adding structures of 4038708 via cif-deposit CGI script. |
4038708.cif |
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Users of the data should acknowledge the original authors of the
structural data.