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Information card for entry 4082230
Preview
Coordinates | 4082230.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H23 N O5 S |
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Calculated formula | C24 H23 N O5 S |
SMILES | C1C=C[C@@H]2[C@@](Cc3c(c4c(cccc4)n3C)[C@@H]2O1)(C(=O)OC)S(=O)(=O)c1ccccc1.C1C=C[C@H]2[C@](Cc3c(c4c(cccc4)n3C)[C@H]2O1)(C(=O)OC)S(=O)(=O)c1ccccc1 |
Title of publication | Regio- and Stereospecific Uncatalyzed Reactions of Electron-Rich Arenes and Olefins at Organomolybdenum Enantiomeric Scaffolds |
Authors of publication | Chen, Wenyong; Sana, Kasinath; Jiang, Yi; Meyer, Esmerelda V. S.; Lapp, Stacey; Galinski, Mary R.; Liebeskind, Lanny S. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 24 |
Pages of publication | 7594 |
a | 8.0781 ± 0.0002 Å |
b | 9.0667 ± 0.0002 Å |
c | 14.8527 ± 0.0004 Å |
α | 72.687 ± 0.001° |
β | 84.404 ± 0.001° |
γ | 82.763 ± 0.002° |
Cell volume | 1028.21 ± 0.04 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0406 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.1005 |
Weighted residual factors for all reflections included in the refinement | 0.1052 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4082230.html
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Users of the data should acknowledge the original authors of the
structural data.