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. 2017 May 12;73(Pt 6):849–852. doi: 10.1107/S2056989017006922

Table 2. Experimental details.

Crystal data
Chemical formula C15H15NO2
M r 241.28
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 293
a, b, c (Å) 9.4257 (4), 12.2054 (5), 13.2067 (6)
α, β, γ (°) 62.979 (3), 82.329 (3), 87.145 (3)
V3) 1341.29 (10)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.08
Crystal size (mm) 0.20 × 0.18 × 0.17
 
Data collection
Diffractometer Bruker SMART APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2008)
T min, T max 0.984, 0.987
No. of measured, independent and observed [I > 2σ(I)] reflections 31199, 4723, 3376
R int 0.031
(sin θ/λ)max−1) 0.595
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.046, 0.143, 1.09
No. of reflections 4723
No. of parameters 325
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.25, −0.20

Computer programs: APEX2 and SAINT (Bruker, 2008), SHELXS97 and SHELXL97 (Sheldrick, 2008) (Sheldrick, 2008), PLATON (Spek, 2009) and Mercury (Macrae et al., 2008).