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. 2020 Apr 9;76(Pt 5):642–645. doi: 10.1107/S2056989020004521

Table 2. Experimental details.

Crystal data
Chemical formula C22H31NO3
M r 357.48
Crystal system, space group Monoclinic, P21/c
Temperature (K) 150
a, b, c (Å) 17.6928 (7), 13.2512 (5), 8.5916 (3)
β (°) 90.184 (2)
V3) 2014.30 (13)
Z 4
Radiation type Cu Kα
μ (mm−1) 0.61
Crystal size (mm) 0.25 × 0.17 × 0.10
 
Data collection
Diffractometer Bruker D8 VENTURE PHOTON 100 CMOS
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.82, 0.94
No. of measured, independent and observed [I > 2σ(I)] reflections 14697, 3924, 3044
R int 0.048
(sin θ/λ)max−1) 0.618
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.046, 0.105, 1.07
No. of reflections 3924
No. of parameters 359
H-atom treatment All H-atom parameters refined
Δρmax, Δρmin (e Å−3) 0.19, −0.18

Computer programs: APEX3 and SAINT (Bruker, 2016), SHELXT/5 (Sheldrick, 2015a ), SHELXL2018/3 (Sheldrick, 2015b ), DIAMOND (Brandenburg & Putz, 2012), SHELXTL (Sheldrick, 2008) and publCIF (Westrip, 2010).