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. 2021 Mar 5;77(Pt 4):360–365. doi: 10.1107/S2056989021002346

Table 3. Experimental details.

Crystal data
Chemical formula C20H27FN2O2
M r 346.43
Crystal system, space group Monoclinic, P21
Temperature (K) 293
a, b, c (Å) 10.2576 (11), 9.5127 (10), 10.5318 (11)
β (°) 104.691 (2)
V3) 994.07 (18)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.08
Crystal size (mm) 0.65 × 0.50 × 0.17
 
Data collection
Diffractometer Bruker SMART APEXII
Absorption correction Multi-scan (SADABS; Sheldrick, 2002)
T min, T max 0.704, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 10640, 5058, 3662
R int 0.017
(sin θ/λ)max−1) 0.675
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.040, 0.109, 1.04
No. of reflections 5058
No. of parameters 231
No. of restraints 1
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.12, −0.11

Computer programs: SMART and SAINT (Bruker, 1998), SHELXS97 (Sheldrick, 2008), SHELXL2018/3 (Sheldrick, 2015) and CrystalMaker (Palmer, 2014).