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. 2019 Mar 26;75(Pt 4):465–469. doi: 10.1107/S2056989019003657

Table 3. Experimental details.

Crystal data
Chemical formula C14H8Cl3FN2
M r 329.57
Crystal system, space group Monoclinic, P21/c
Temperature (K) 100
a, b, c (Å) 3.8617 (8), 24.249 (5), 14.724 (3)
β (°) 94.30 (3)
V3) 1374.9 (5)
Z 4
Radiation type Synchrotron, λ = 0.80246 Å
μ (mm−1) 0.93
Crystal size (mm) 0.20 × 0.10 × 0.02
 
Data collection
Diffractometer Rayonix SX165 CCD
Absorption correction Multi-scan (SCALA; Evans, 2006)
T min, T max 0.840, 0.970
No. of measured, independent and observed [I > 2σ(I)] reflections 20761, 2984, 2719
R int 0.115
(sin θ/λ)max−1) 0.640
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.053, 0.142, 1.05
No. of reflections 2984
No. of parameters 182
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.59, −0.72

Computer programs: Marccd (Doyle, 2011), iMosflm (Battye et al., 2011), SHELXS97 (Sheldrick, 2008), SHELXL2018 (Sheldrick, 2015), ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2009).