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Information card for entry 4036659
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Coordinates | 4036659.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C90 H50 O2 |
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Calculated formula | C90 H50 O2 |
Title of publication | Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures. |
Authors of publication | Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 6 |
Pages of publication | 2572 - 2580 |
a | 16.5811 ± 0.0003 Å |
b | 15.2702 ± 0.0003 Å |
c | 24.5373 ± 0.0005 Å |
α | 90° |
β | 100.308 ± 0.001° |
γ | 90° |
Cell volume | 6112.5 ± 0.2 Å3 |
Cell temperature | 100 ± 0.2 K |
Ambient diffraction temperature | 100 ± 0.2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0539 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for significantly intense reflections | 0.0916 |
Weighted residual factors for all reflections included in the refinement | 0.1016 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4036659.html
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structural data.