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. 2019 May 24;75(Pt 6):872–874. doi: 10.1107/S2056989019007175

Table 2. Experimental details.

Crystal data
Chemical formula C14H14O6
M r 278.25
Crystal system, space group Monoclinic, C2/c
Temperature (K) 173
a, b, c (Å) 16.1298 (17), 7.8773 (8), 13.5247 (14)
β (°) 123.6698 (12)
V3) 1430.2 (3)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.10
Crystal size (mm) 0.40 × 0.20 × 0.20
 
Data collection
Diffractometer Bruker APEXII CCD area detector
Absorption correction Multi-scan (SADABS; Sheldrick, 1996)
T min, T max 0.94, 0.98
No. of measured, independent and observed [I > 2σ(I)] reflections 3968, 1625, 1254
R int 0.038
(sin θ/λ)max−1) 0.650
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.041, 0.098, 1.03
No. of reflections 1625
No. of parameters 91
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.40, −0.25

Computer programs: APEX2 and SAINT (Bruker, 2013), SHELXS97 (Sheldrick, 2008), SHELXL2013 (Sheldrick, 2015), XSHEL (Bruker, 2013), PLATON (Spek, 2009) and XCIF (Bruker, 2013).