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. 2018 Oct 12;74(Pt 11):1574–1576. doi: 10.1107/S2056989018013762

Table 2. Experimental details.

Crystal data
Chemical formula C17H17NO2
M r 267.31
Crystal system, space group Monoclinic, P21/n
Temperature (K) 93
a, b, c (Å) 5.8354 (5), 16.5123 (14), 15.1330 (12)
β (°) 93.837 (2)
V3) 1454.9 (2)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.08
Crystal size (mm) 0.25 × 0.18 × 0.14
 
Data collection
Diffractometer Rigaku R-AXIS RAPID
Absorption correction Multi-scan (ABSCOR; Higashi, 1995)
T min, T max 0.642, 0.989
No. of measured, independent and observed [I > 2σ(I)] reflections 13857, 3316, 2572
R int 0.043
(sin θ/λ)max−1) 0.648
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.054, 0.143, 1.13
No. of reflections 3316
No. of parameters 183
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.36, −0.21

Computer programs: RAPID-AUTO (Rigaku, 1998), SHELXT2014 (Sheldrick, 2015a ), SHELXL2018 (Sheldrick, 2015b ), Mercury (Macrae et al., 2006) and publCIF (Westrip, 2010).