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Information card for entry 4125186
Preview
Coordinates | 4125186.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H15 N |
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Calculated formula | C20 H15 N |
SMILES | n1cccc2ccc(c(c12)c1cccc2ccccc12)C |
Title of publication | Kinetic Resolution of Axially Chiral 5- or 8-Substituted Quinolines via Asymmetric Transfer Hydrogenation. |
Authors of publication | Wang, Jie; Chen, Mu-Wang; Ji, Yue; Hu, Shu-Bo; Zhou, Yong-Gui |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 33 |
Pages of publication | 10413 - 10416 |
a | 7.3982 ± 0.0009 Å |
b | 7.3861 ± 0.001 Å |
c | 27.199 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1486.3 ± 0.3 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293.15 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0845 |
Residual factor for significantly intense reflections | 0.0785 |
Weighted residual factors for significantly intense reflections | 0.2337 |
Weighted residual factors for all reflections included in the refinement | 0.2459 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
Diffraction radiation wavelength | 1.54178 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/4125186.html
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