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. 2018 May 18;74(Pt 6):825–828. doi: 10.1107/S2056989018007132

Table 2. Experimental details.

Crystal data
Chemical formula C20H27NO6
M r 377.42
Crystal system, space group Monoclinic, P21
Temperature (K) 90
a, b, c (Å) 9.2538 (6), 6.0642 (4), 17.1441 (10)
β (°) 91.475 (2)
V3) 961.75 (11)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.10
Crystal size (mm) 0.27 × 0.16 × 0.10
 
Data collection
Diffractometer Bruker D8 Venture
Absorption correction Multi-scan (SADABS; Bruker, 2016)
T min, T max 0.97, 0.99
No. of measured, independent and observed [I > 2σ(I)] reflections 8906, 2900, 2454
R int 0.046
(sin θ/λ)max−1) 0.596
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.046, 0.099, 1.07
No. of reflections 2900
No. of parameters 250
No. of restraints 1
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.25, −0.25

Computer programs: APEX3 (Bruker, 2016), SAINT (Bruker, 2016), SHELXT2014 (Sheldrick, 2015a ), SHELXL2014 (Sheldrick, 2015b ), Mercury (Macrae et al., 2008), publCIF (Westrip, 2010) and PLATON (Spek, 2009).