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. 2016 Jun 14;72(Pt 7):951–954. doi: 10.1107/S2056989016008999

Table 2. Experimental details.

Crystal data
Chemical formula C17H17NO4
M r 299.31
Crystal system, space group Monoclinic, P21/c
Temperature (K) 296
a, b, c (Å) 12.4229 (5), 9.6392 (5), 13.2384 (6)
β (°) 102.457 (3)
V3) 1547.94 (12)
Z 4
Radiation type Cu Kα
μ (mm−1) 0.76
Crystal size (mm) 0.26 × 0.11 × 0.04
 
Data collection
Diffractometer Bruker SMART APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2013)
T min, T max 0.599, 0.753
No. of measured, independent and observed [I > 2σ(I)] reflections 18263, 2895, 2277
R int 0.037
(sin θ/λ)max−1) 0.614
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.040, 0.121, 1.05
No. of reflections 2895
No. of parameters 210
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.23, −0.14

Computer programs: APEX2, SAINT (Bruker, 2013) and XPREP (Sheldrick,2008), SHELXS97 (Sheldrick, 2008), Mercury (Macrae et al., 2008), SHELXL2013 (Sheldrick, 2015) and PLATON (Spek, 2009).