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. 2022 Jun 7;78(Pt 7):691–694. doi: 10.1107/S2056989022005382

Table 2. Experimental details.

Crystal data
Chemical formula C22H19NO2
M r 329.38
Crystal system, space group Orthorhombic, P b c n
Temperature (K) 100
a, b, c (Å) 20.8269 (2), 9.09843 (10), 9.0158 (1)
V3) 1708.42 (3)
Z 4
Radiation type Cu Kα
μ (mm−1) 0.65
Crystal size (mm) 0.09 × 0.06 × 0.05
 
Data collection
Diffractometer XtaLAB Synergy, Dualflex, HyPix
Absorption correction Multi-scan (CrysAlis PRO; Rigaku OD, 2021)
T min, T max 0.906, 0.939
No. of measured, independent and observed [I > 2σ(I)] reflections 21247, 1834, 1746
R int 0.034
(sin θ/λ)max−1) 0.637
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.051, 0.142, 1.09
No. of reflections 1834
No. of parameters 115
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.29, −0.23

Computer programs: CrysAlis PRO (Rigaku OD, 2021), SHELXT2014/5 (Sheldrick, 2015a ), SHELXL2018/3 (Sheldrick, 2015b ), ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2020).