Skip to main content
. 2016 Jun 10;72(Pt 7):933–936. doi: 10.1107/S205698901600894X

Table 2. Experimental details.

Crystal data
Chemical formula C19H19NO5
M r 341.35
Crystal system, space group Monoclinic, P21
Temperature (K) 296
a, b, c (Å) 5.510 (3), 14.809 (9), 10.824 (7)
β (°) 100.757 (7)
V3) 867.7 (9)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.10
Crystal size (mm) 0.26 × 0.25 × 0.23
 
Data collection
Diffractometer Bruker SMART CCD area-detector
No. of measured, independent and observed [I > 2σ(I)] reflections 6909, 3403, 1798
R int 0.031
(sin θ/λ)max−1) 0.627
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.053, 0.126, 1.00
No. of reflections 3403
No. of parameters 276
No. of restraints 25
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.14, −0.17

Computer programs: SMART and SAINT (Bruker, 2012), SHELXS2013 (Sheldrick, 2008), SHELXL2013 (Sheldrick, 2015), ORTEP-3 for Windows (Farrugia, 2012) and publCIF (Westrip,2010).