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Information card for entry 1550251
Preview
Coordinates | 1550251.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C104.5 H86.5 Cl7.5 O24 |
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Calculated formula | C104 H86 Cl6 O24 |
Title of publication | Cyclic tris-[5]helicenes with single and triple twisted Möbius topologies and Möbius aromaticity. |
Authors of publication | Naulet, Guillaume; Sturm, Ludmilla; Robert, Antoine; Dechambenoit, Pierre; Röhricht, Fynn; Herges, Rainer; Bock, Harald; Durola, Fabien |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 48 |
Pages of publication | 8930 - 8936 |
a | 15.6031 ± 0.0009 Å |
b | 23.6859 ± 0.0013 Å |
c | 26.9809 ± 0.0015 Å |
α | 84.266 ± 0.002° |
β | 75.642 ± 0.003° |
γ | 75.481 ± 0.003° |
Cell volume | 9343.9 ± 0.9 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1392 |
Residual factor for significantly intense reflections | 0.1155 |
Weighted residual factors for significantly intense reflections | 0.2976 |
Weighted residual factors for all reflections included in the refinement | 0.3148 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1550251.html
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Users of the data should acknowledge the original authors of the
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