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. 2017 Mar 31;73(Pt 4):627–629. doi: 10.1107/S2056989017004741

Table 2. Experimental details.

Crystal data
Chemical formula C17H18N2O
M r 266.33
Crystal system, space group Orthorhombic, P b c a
Temperature (K) 173
a, b, c (Å) 16.4313 (7), 7.1909 (3), 24.7345 (11)
V3) 2922.5 (2)
Z 8
Radiation type Mo Kα
μ (mm−1) 0.08
Crystal size (mm) 0.24 × 0.22 × 0.18
 
Data collection
Diffractometer STOE IPDS II two-circle
Absorption correction Multi-scan (X-AREA; Stoe & Cie, 2001)
T min, T max 0.742, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 25768, 2574, 2200
R int 0.054
(sin θ/λ)max−1) 0.595
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.046, 0.111, 1.10
No. of reflections 2574
No. of parameters 276
No. of restraints 84
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.24, −0.21

Computer programs: X-AREA (Stoe & Cie, 2001), SHELXS2014/7 and XP in SHELXTL-Plus (Sheldrick, 2008) and SHELXL2014/7 (Sheldrick, 2015).