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. 2020 Oct 13;76(Pt 11):1748–1751. doi: 10.1107/S2056989020013596

Table 2. Experimental details.

Crystal data
Chemical formula C19H18O7
M r 358.33
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 293
a, b, c (Å) 5.0789 (4), 8.0801 (6), 20.8682 (19)
α, β, γ (°) 92.481 (7), 91.984 (7), 94.253 (6)
V3) 852.62 (12)
Z 2
Radiation type Cu Kα
μ (mm−1) 0.90
Crystal size (mm) 0.03 × 0.02 × 0.01
 
Data collection
Diffractometer Agilent Xcalibur, Ruby
Absorption correction Multi-scan (CrysAlis PRO; Agilent, 2014)
T min, T max 0.818, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 6484, 3458, 2408
R int 0.023
(sin θ/λ)max−1) 0.630
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.056, 0.174, 1.03
No. of reflections 3458
No. of parameters 240
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.22, −0.18

Computer programs: CrysAlis PRO (Agilent, 2014), XP (Siemens, 1994), SHELXT2018/2 (Sheldrick, 2015a ) and SHELXL2018/3 (Sheldrick, 2015b ).