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Information card for entry 1550686
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Coordinates | 1550686.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 9 |
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Chemical name | M4A-008 |
Formula | C108 H90 |
Calculated formula | C108 H90 |
Title of publication | Wavy-shaped Polycyclic Hydrocarbons with Controlled Aromaticity |
Authors of publication | Ma, Ji; Zhang, Ke; Schellhammer, Karl Sebastian; Fu, Yubin; Komber, Hartmut; Xu, Chi; Popov, Alexey A.; Hennersdorf, Felix; Weigand, Jan J.; Zhou, Shengqiang; Pisula, Wojciech; Ortmann, Frank; Berger, Reinhard Franz Josef; Liu, Junzhi; Feng, Xinliang |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 31.3411 ± 0.0008 Å |
b | 28.1487 ± 0.0006 Å |
c | 24.341 ± 0.0007 Å |
α | 90° |
β | 107.002 ± 0.003° |
γ | 90° |
Cell volume | 20535.4 ± 1 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 2 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1683 |
Residual factor for significantly intense reflections | 0.1246 |
Weighted residual factors for significantly intense reflections | 0.2951 |
Weighted residual factors for all reflections included in the refinement | 0.3349 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.855 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/1550686.html
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