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. 2018 Oct 19;74(Pt 11):1599–1604. doi: 10.1107/S2056989018014305

Table 3. Experimental details.

Crystal data
Chemical formula C18H16F3NO7
M r 415.32
Crystal system, space group Monoclinic, P21/n
Temperature (K) 150
a, b, c (Å) 8.7661 (2), 11.2908 (3), 17.5089 (4)
β (°) 96.021 (1)
V3) 1723.41 (7)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.14
Crystal size (mm) 0.35 × 0.32 × 0.30
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.942, 0.946
No. of measured, independent and observed [I > 2σ(I)] reflections 11170, 3496, 2739
R int 0.028
(sin θ/λ)max−1) 0.626
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.036, 0.091, 1.01
No. of reflections 3496
No. of parameters 264
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.30, −0.25

Computer programs: APEX2 and SAINT (Bruker, 2007), SHELXS97 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015), ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2009).