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. 2016 Sep 5;72(Pt 10):1408–1411. doi: 10.1107/S2056989016013797

Table 2. Experimental details.

Crystal data
Chemical formula C21H26O5
M r 358.42
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 293
a, b, c (Å) 5.6630 (8), 8.707 (1), 20.152 (3)
α, β, γ (°) 81.69 (1), 86.48 (1), 88.48 (1)
V3) 981.2 (2)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.48 × 0.48 × 0.20
 
Data collection
Diffractometer Oxford Diffraction Xcalibur diffractometer with Sapphire CCD detector
Absorption correction Multi-scan (CrysAlis RED; Oxford Diffraction, 2009)
T min, T max 0.960, 0.983
No. of measured, independent and observed [I > 2σ(I)] reflections 6013, 3552, 2638
R int 0.013
(sin θ/λ)max−1) 0.602
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.071, 0.178, 1.10
No. of reflections 3552
No. of parameters 254
No. of restraints 3
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.36, −0.20

Computer programs: CrysAlis CCD and CrysAlis RED (Oxford Diffraction, 2009), SHELXS2014 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015) and PLATON (Spek, 2009).