Studies on the interactions of 5-R-3-(2-pyridyl)-1,2,4-triazines with arynes: inverse demand aza-Diels-Alder reaction versus aryne-mediated domino process.
Authors of publication
Kopchuk, Dmitry S.; Nikonov, Igor L.; Khasanov, Albert F.; Giri, Kousik; Santra, Sougata; Kovalev, Igor S.; Nosova, Emiliya V.; Gundala, Sravya; Venkatapuram, Padmavathi; Zyryanov, Grigory V.; Majee, Adinath; Chupakhin, Oleg N.
Journal of publication
Organic & biomolecular chemistry
Year of publication
2018
Journal volume
16
Journal issue
28
Pages of publication
5119 - 5135
a
18.8659 ± 0.001 Å
b
10.1158 ± 0.0004 Å
c
8.8637 ± 0.0005 Å
α
90°
β
99.138 ± 0.006°
γ
90°
Cell volume
1670.11 ± 0.15 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
0.0792
Residual factor for significantly intense reflections
0.0473
Weighted residual factors for significantly intense reflections
0.1155
Weighted residual factors for all reflections included in the refinement
0.1341
Goodness-of-fit parameter for all reflections included in the refinement
