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. 2018 Apr 17;74(Pt 5):594–599. doi: 10.1107/S2056989017016589

Table 3. Experimental details.

Crystal data
Chemical formula C23H30O4
M r 370.47
Crystal system, space group Monoclinic, C c
Temperature (K) 200
a, b, c (Å) 42.287 (9), 7.2848 (15), 6.7006 (13)
β (°) 91.226 (12)
V3) 2063.7 (7)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.08
Crystal size (mm) 0.40 × 0.40 × 0.20
 
Data collection
Diffractometer Bruker SMART X2S benchtop
Absorption correction Multi-scan (SADABS; Bruker, 2013)
T min, T max 0.64, 0.98
No. of measured, independent and observed [I > 2σ(I)] reflections 10387, 3095, 2363
R int 0.060
(sin θ/λ)max−1) 0.602
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.044, 0.122, 1.05
No. of reflections 3095
No. of parameters 249
No. of restraints 2
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.12, −0.18

Computer programs: APEX2 and SAINT (Bruker, 2013), SHELXS97 (Sheldrick, 2008), SHELXL2014/7 (Sheldrick, 2015), PLATON (Spek, 2009), Mercury (Macrae et al., 2008) and publCIF (Westrip, 2010).