Combined experimental and theoretical studies of regio- and stereoselectivity in reactions of β-isoxazolyl- and β-imidazolyl enamines with nitrile oxides
Authors of publication
Efimov, Ilya V.; Shafikov, Marsel Z.; Beliaev, Nikolai A.; Volkova, Natalia N.; Beryozkina, Tetyana V.; Dehaen, Wim; Fan, Zhijin; Grishko, Viktoria V.; Lubec, Gert; Slepukhin, Pavel A.; Bakulev, Vasiliy A.
Journal of publication
Beilstein Journal of Organic Chemistry
Year of publication
2016
Journal volume
12
Pages of publication
2390
a
8.9596 ± 0.0004 Å
b
12.5516 ± 0.0003 Å
c
15.7754 ± 0.0004 Å
α
90°
β
100.144 ± 0.003°
γ
90°
Cell volume
1746.33 ± 0.1 Å3
Cell temperature
150 ± 0.1 K
Ambient diffraction temperature
150 ± 0.1 K
Number of distinct elements
4
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/c 1
Hall space group symbol
-P 2ybc
Residual factor for all reflections
0.0582
Residual factor for significantly intense reflections
0.0438
Weighted residual factors for significantly intense reflections
0.1265
Weighted residual factors for all reflections included in the refinement
0.1379
Goodness-of-fit parameter for all reflections included in the refinement
