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. 2020 Apr 24;76(Pt 5):732–735. doi: 10.1107/S205698902000537X

Table 3. Experimental details.

Crystal data
Chemical formula C23H28F3NO
M r 391.46
Crystal system, space group Monoclinic, P21/c
Temperature (K) 296
a, b, c (Å) 15.6783 (10), 15.7880 (14), 8.7054 (5)
β (°) 91.217 (5)
V3) 2154.4 (3)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.72 × 0.56 × 0.09
 
Data collection
Diffractometer STOE IPDS 2
Absorption correction Integration (X-RED32; Stoe & Cie, 2002)
T min, T max 0.938, 0.992
No. of measured, independent and observed [I > 2σ(I)] reflections 24168, 4981, 2875
R int 0.062
(sin θ/λ)max−1) 0.652
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.059, 0.149, 1.01
No. of reflections 4981
No. of parameters 291
No. of restraints 67
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.17, −0.14

Computer programs: X-AREA and X-RED32 (Stoe & Cie, 2002), SHELXS97 and SHELXL97 (Sheldrick, 2008) and ORTEP-3 for Windows and WinGX (Farrugia, 2012).