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Information card for entry 4038708
Preview
Coordinates | 4038708.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H40 |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4038708.html
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structural data.