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Information card for entry 1549152
Preview
Coordinates | 1549152.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H32 B N |
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Calculated formula | C31 H32 B N |
SMILES | B(c1ccccc1/C=C/c1ncccc1)(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C |
Title of publication | Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers. |
Authors of publication | Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 15 |
Pages of publication | 3844 - 3855 |
a | 11.8634 ± 0.0007 Å |
b | 11.878 ± 0.0008 Å |
c | 18.2134 ± 0.0011 Å |
α | 90° |
β | 92.179 ± 0.002° |
γ | 90° |
Cell volume | 2564.7 ± 0.3 Å3 |
Cell temperature | 230 ± 2 K |
Ambient diffraction temperature | 230 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0841 |
Residual factor for significantly intense reflections | 0.0581 |
Weighted residual factors for significantly intense reflections | 0.145 |
Weighted residual factors for all reflections included in the refinement | 0.1595 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1549152.html
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Users of the data should acknowledge the original authors of the
structural data.