Skip to main content
. 2015 Nov 4;71(Pt 12):1425–1428. doi: 10.1107/S2056989015019623

Table 2. Experimental details.

Crystal data
Chemical formula C15H20O6
M r 296.31
Crystal system, space group Orthorhombic, P212121
Temperature (K) 293
a, b, c (Å) 8.1980 (1), 10.0290 (2), 16.7720 (3)
V3) 1378.96 (4)
Z 4
Radiation type Cu Kα
μ (mm−1) 0.92
Crystal size (mm) 0.65 × 0.47 × 0.30
 
Data collection
Diffractometer Agilent Xcalibur Ruby Gemini
Absorption correction Multi-scan (CrysAlis PRO; Agilent, 2013)
T min, T max 0.773, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 12778, 2623, 2502
R int 0.040
(sin θ/λ)max−1) 0.613
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.035, 0.096, 1.05
No. of reflections 2623
No. of parameters 200
Δρmax, Δρmin (e Å−3) 0.27, −0.17
Absolute structure Flack (1983), 1073 Friedel pairs
Absolute structure parameter −0.09 (9)

Computer programs: CrysAlis PRO (Agilent, 2013), SHELXS97 and SHELXL97 (Sheldrick, 2008), ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2009).