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Information card for entry 4128777
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4128777.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H24 F3 N2 O3 P S |
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Calculated formula | C23 H24 F3 N2 O3 P S |
SMILES | S(=O)(=O)([O-])C(F)(F)F.P1=[N+](C=CN1[C@H]1CCCc2c1cccc2)[C@H]1CCCc2c1cccc2 |
Title of publication | Enantioselective Imine Reduction Catalyzed by Phosphenium Ions. |
Authors of publication | Lundrigan, Travis; Welsh, Erin N.; Hynes, Toren; Tien, Chieh-Hung; Adams, Matt R.; Roy, Kayelani R.; Robertson, Katherine N.; Speed, Alexander W. H. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 36 |
Pages of publication | 14083 - 14088 |
a | 7.2319 ± 0.0006 Å |
b | 16.6606 ± 0.0015 Å |
c | 19.395 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2336.9 ± 0.4 Å3 |
Cell temperature | 125 ± 2 K |
Ambient diffraction temperature | 125 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0427 |
Residual factor for significantly intense reflections | 0.0339 |
Weighted residual factors for significantly intense reflections | 0.0754 |
Weighted residual factors for all reflections included in the refinement | 0.0796 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
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/4128777.html
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Users of the data should acknowledge the original authors of the
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