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. 2018 Nov 30;74(Pt 12):1887–1890. doi: 10.1107/S2056989018016377

Table 2. Experimental details.

Crystal data
Chemical formula C22H28ClNO
M r 357.90
Crystal system, space group Monoclinic, P21/m
Temperature (K) 296
a, b, c (Å) 9.6753 (10), 7.0072 (6), 15.3749 (13)
β (°) 93.425 (7)
V3) 1040.51 (17)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.19
Crystal size (mm) 0.74 × 0.65 × 0.48
 
Data collection
Diffractometer Stoe IPDS 2
Absorption correction Integration (X-RED32; Stoe & Cie, 2002)
T min, T max 0.879, 0.940
No. of measured, independent and observed [I > 2σ(I)] reflections 5895, 2300, 1298
R int 0.028
(sin θ/λ)max−1) 0.628
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.053, 0.168, 1.00
No. of reflections 2300
No. of parameters 145
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.28, −0.22

Computer programs: X-AREA and X-RED (Stoe & Cie, 2002), SHELXLXT (Sheldrick, 2015a ), SHELXL2017/1 (Sheldrick, 2015b ), ORTEP-3 for Windows and WinGX (Farrugia, 2012) and PLATON (Spek, 2009).