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Information card for entry 4127226
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4127226.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H57 F4 N O3 P S |
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Calculated formula | C39 H57 F4 N O3 P S |
Title of publication | Reversible Intramolecular Cycloaddition of Phosphaalkene to an Arene Ring. |
Authors of publication | Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Kim, Youngsuk; Stephan, Douglas W. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 20 |
Pages of publication | 8083 - 8087 |
a | 11.096 ± 0.007 Å |
b | 11.353 ± 0.009 Å |
c | 16.047 ± 0.011 Å |
α | 76.64 ± 0.02° |
β | 69.873 ± 0.014° |
γ | 79.271 ± 0.019° |
Cell volume | 1834 ± 2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0786 |
Residual factor for significantly intense reflections | 0.0496 |
Weighted residual factors for significantly intense reflections | 0.116 |
Weighted residual factors for all reflections included in the refinement | 0.1285 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
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/4127226.html
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Users of the data should acknowledge the original authors of the
structural data.