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. 2019 Aug 19;75(Pt 9):1362–1366. doi: 10.1107/S2056989019011393

Table 2. Experimental details.

Crystal data
Chemical formula C17H16O4
M r 284.30
Crystal system, space group Monoclinic, P21/n
Temperature (K) 296
a, b, c (Å) 12.0914 (8), 9.4741 (6), 12.7761 (9)
β (°) 92.943 (4)
V3) 1461.64 (17)
Z 4
Radiation type Cu Kα
μ (mm−1) 0.75
Crystal size (mm) 0.26 × 0.22 × 0.18
 
Data collection
Diffractometer Bruker D8 Venture/Photon 100 CMOS
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.654, 0.754
No. of measured, independent and observed [I > 2σ(I)] reflections 7496, 2996, 1972
R int 0.038
(sin θ/λ)max−1) 0.637
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.048, 0.136, 1.03
No. of reflections 2996
No. of parameters 193
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.17, −0.16

Computer programs: APEX2 and SAINT (Bruker, 2014), SHELXT (Sheldrick, 2015a ), SHELXL2018 (Sheldrick, 2015b ), Mercury (Macrae et al., 2008) and publCIF (Westrip, 2010).