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. 2017 May 23;73(Pt 6):867–870. doi: 10.1107/S2056989017007186

Table 2. Experimental details.

Crystal data
Chemical formula C23H18FNO4
M r 391.38
Crystal system, space group Monoclinic, P21/c
Temperature (K) 100
a, b, c (Å) 8.4849 (11), 15.407 (3), 14.157 (2)
β (°) 102.598 (16)
V3) 1806.1 (5)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.11
Crystal size (mm) 0.28 × 0.20 × 0.18
 
Data collection
Diffractometer Bruker D8 Quest
Absorption correction Multi-scan (SADABS; Bruker, 2014)
T min, T max 0.718, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 48705, 3697, 3509
R int 0.024
(sin θ/λ)max−1) 0.625
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.032, 0.081, 1.05
No. of reflections 3697
No. of parameters 264
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.38, −0.21

Computer programs: APEX2 and SAINT-Plus (Bruker, 2014), SHELXT (Sheldrick, 2015a ), SHELXL2014 (Sheldrick, 2015b ), SHELXLE (Hübschle et al., 2011) and Mercury (Macrae et al., 2008).