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. 2018 Jan 26;74(Pt 2):225–228. doi: 10.1107/S2056989018001226

Table 2. Experimental details.

Crystal data
Chemical formula C24H8F4N2O8
M r 528.32
Crystal system, space group Monoclinic, P21/c
Temperature (K) 173
a, b, c (Å) 17.100 (6), 4.744 (2), 13.662 (4)
β (°) 106.83 (2)
V3) 1060.8 (7)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.15
Crystal size (mm) 0.40 × 0.15 × 0.01
 
Data collection
Diffractometer Bruker–Nonius KappaCCD
Absorption correction Multi-scan (SADABS; Bruker, 2001)
T min, T max 0.931, 0.986
No. of measured, independent and observed [I > 2σ(I)] reflections 7948, 2396, 1440
R int 0.061
(sin θ/λ)max−1) 0.650
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.048, 0.120, 1.05
No. of reflections 2396
No. of parameters 176
No. of restraints 1
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.26, −0.32

Computer programs: COLLECT (Nonius, 1999), DIRAX/LSQ (Duisenberg et al., 2000), EVALCCD (Duisenberg et al., 2003), SIR97 (Altomare et al., 1999), SHELXL2016 (Sheldrick, 2015), ORTEP-3 for Windows and WinGX (Farrugia, 2012) and Mercury (Macrae et al., 2008).