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. 2016 Feb 17;72(Pt 3):347–349. doi: 10.1107/S2056989016002504

Table 2. Experimental details.

Crystal data
Chemical formula C22H22N2O3
M r 362.41
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 293
a, b, c (Å) 5.0968 (5), 13.8189 (15), 14.6993 (17)
α, β, γ (°) 71.484 (5), 84.018 (5), 82.531 (5)
V3) 971.20 (18)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.08
Crystal size (mm) 0.21 × 0.19 × 0.16
 
Data collection
Diffractometer Bruker SMART APEX CCD area-detector
No. of measured, independent and observed [I > 2σ(I)] reflections 18453, 3405, 2354
R int 0.055
(sin θ/λ)max−1) 0.595
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.054, 0.168, 1.07
No. of reflections 3405
No. of parameters 251
No. of restraints 2
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.52, −0.31

Computer programs: SMART (Bruker, 2001), SAINT (Bruker, 2001), SHELXTL/PC (Sheldrick, 2008) and PLATON (Spek, 2009).