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. 2018 May 9;14:1021–1027. doi: 10.3762/bjoc.14.88

Table 2.

Crystallographic data for compound 2c.

Entry Data

formula C10H9FN2O3
Mr 224.19
crystal size, mm3 0.032 × 0.162 × 0.247
crystal system orthorhombic
space group Pna21
cell constants
a, Å 10.0315(3)
b, Å 15.4164(5)
c, Å 6.5161(2)
V, Å3 1007.71(5)
Z 4
Dx, Mg m−3 1.48
μ, mm−1 1.06
F(000), e 464
T, K 100(2)
λ, Å 1.54178
max, deg 137
transmissions 0.78–0.97
refl. meas./indep./Rint 10003/1813/0.034
ref. parameters 182
restraints 118
R [F ≥ 4 σ(F)] 0.032
wR (F2, all refl.) 0.086
S 1.05
Δρmax, e Å−3 0.145/−0.194