Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.
Authors of publication
Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.
Journal of publication
Organic & biomolecular chemistry
Year of publication
2013
Journal volume
11
Journal issue
21
Pages of publication
3484 - 3493
a
12.1245 ± 0.0003 Å
b
14.0624 ± 0.0003 Å
c
16.2235 ± 0.0004 Å
α
83.164 ± 0.002°
β
73.727 ± 0.002°
γ
69.797 ± 0.002°
Cell volume
2491.16 ± 0.11 Å3
Cell temperature
173 ± 2 K
Ambient diffraction temperature
173 ± 2 K
Number of distinct elements
4
Space group number
2
Hermann-Mauguin space group symbol
P -1
Hall space group symbol
-P 1
Residual factor for all reflections
0.1043
Residual factor for significantly intense reflections
0.0558
Weighted residual factors for significantly intense reflections
0.1256
Weighted residual factors for all reflections included in the refinement
0.151
Goodness-of-fit parameter for all reflections included in the refinement
