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Information card for entry 4110097
Preview
Coordinates | 4110097.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H23 N O5 S |
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Calculated formula | C16 H23 N O5 S |
SMILES | S(=O)(=O)(N[C@@H](C(C)C)CO/C=C/C(=O)OC)c1ccc(cc1)C |
Title of publication | Bisphosphine-Catalyzed Mixed Double-Michael Reactions: Asymmetric Synthesis of Oxazolidines, Thiazolidines, and Pyrrolidines |
Authors of publication | Vardhineedi Sriramurthy; Gregg A. Barcan; Ohyun Kwon |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 12928 - 12929 |
a | 8.149 ± 0.004 Å |
b | 9.248 ± 0.004 Å |
c | 11.916 ± 0.005 Å |
α | 90° |
β | 97.912 ± 0.005° |
γ | 90° |
Cell volume | 889.5 ± 0.7 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0359 |
Residual factor for significantly intense reflections | 0.0328 |
Weighted residual factors for significantly intense reflections | 0.0853 |
Weighted residual factors for all reflections included in the refinement | 0.0886 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4110097.html
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Users of the data should acknowledge the original authors of the
structural data.