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Information card for entry 4105231
Preview
Coordinates | 4105231.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H50 Cl5 N O4 P Rh |
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Calculated formula | C43 H50 Cl5 N O4 P Rh |
SMILES | C(Cl)Cl.c1(ccccc1)C1(c2ccccc2)[C@H]2[C@H](C(c3ccccc3)(c3ccccc3)O[P](N(C)C)(O1)[Rh]134([CH]5=[CH]1CC[CH]3=[CH]4CC5)Cl)OC(C)(C)O2.C(Cl)Cl |
Title of publication | Enantioselective Rhodium-Catalyzed [2 + 2 + 2] Cycloadditions of Terminal Alkynes and Alkenyl Isocyanates: Mechanistic Insights Lead to a Unified Model that Rationalizes Product Selectivity |
Authors of publication | Derek M. Dalton; Kevin M. Oberg; Robert T. Yu; Ernest E. Lee; Stéphane Perreault; Mark Emil Oinen; Melissa L. Pease; Guillaume Malik; Tomislav Rovis |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 15717 - 15728 |
a | 10.8877 ± 0.0003 Å |
b | 18.0279 ± 0.0005 Å |
c | 11.1484 ± 0.0003 Å |
α | 90° |
β | 91.924 ± 0.001° |
γ | 90° |
Cell volume | 2187 ± 0.1 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0786 |
Residual factor for significantly intense reflections | 0.0511 |
Weighted residual factors for significantly intense reflections | 0.1067 |
Weighted residual factors for all reflections included in the refinement | 0.1195 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
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/4105231.html
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Users of the data should acknowledge the original authors of the
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