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. 2025 Jan 1;81(Pt 1):11–14. doi: 10.1107/S2056989024011484

Table 2. Experimental details.

Crystal data
Chemical formula C20H9F21O3
M r 696.26
Crystal system, space group Monoclinic, P21/c
Temperature (K) 100
a, b, c (Å) 7.0271 (1), 19.2243 (1), 17.7558 (1)
β (°) 97.332 (1)
V3) 2379.04 (4)
Z 4
Radiation type Cu Kα
μ (mm−1) 2.21
Crystal size (mm) 0.23 × 0.09 × 0.07
 
Data collection
Diffractometer XtaLAB Synergy, Dualflex, HyPix3000
Absorption correction Gaussian [CrysAlis PRO; Rigaku OD, 2019)
Tmin, Tmax 0.681, 1.000
No. of measured, independent and observed [I ≥ 2u(I)] reflections 23552, 4403, 4160
R int 0.020
(sin θ/λ)max−1) 0.605
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.037, 0.088, 1.07
No. of reflections 4403
No. of parameters 398
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.90, −0.49

Computer programs: CrysAlis PRO (Rigaku OD, 2019), SHELXT2018/2 (Sheldrick, 2015a), SHELXL2018/3 (Sheldrick, 2015b), Mercury (Macrae et al., 2008) and OLEX2 (Dolomanov et al., 2009).