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Information card for entry 7154327
Preview
Coordinates | 7154327.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H19 N O5 S |
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Calculated formula | C15 H19 N O5 S |
SMILES | S(=O)(=O)(N1[C@H](COC1=O)[C@@H](OC)/C=C/C)c1ccc(cc1)C |
Title of publication | Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect. |
Authors of publication | Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2015 |
Journal volume | 13 |
Journal issue | 12 |
Pages of publication | 3566 - 3570 |
a | 8.116 ± 0.002 Å |
b | 14.954 ± 0.005 Å |
c | 13.474 ± 0.004 Å |
α | 90° |
β | 92.642 ± 0.003° |
γ | 90° |
Cell volume | 1633.6 ± 0.8 Å3 |
Cell temperature | 173.15 K |
Ambient diffraction temperature | 173.15 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 | 0.0339 |
Residual factor for significantly intense reflections | 0.0324 |
Weighted residual factors for significantly intense reflections | 0.0726 |
Weighted residual factors for all reflections included in the refinement | 0.0735 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
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/7154327.html
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