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. 2015 Jan 1;71(Pt 1):16–18. doi: 10.1107/S2056989014025390

Table 2. Experimental details.

Crystal data
Chemical formula C27H26O3
M r 398.48
Crystal system, space group Monoclinic, P21/c
Temperature (K) 293
a, b, c () 20.5663(12), 15.2878(9), 14.5689(8)
() 107.938(4)
V (3) 4358.0(4)
Z 8
Radiation type Mo K
(mm1) 0.08
Crystal size (mm) 0.25 0.23 0.20
 
Data collection
Diffractometer Bruker Kappa APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2008)
T min, T max 0.981, 0.985
No. of measured, independent and observed [I > 2(I)] reflections 33189, 7901, 3714
R int 0.057
(sin /)max (1) 0.600
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.063, 0.193, 0.99
No. of reflections 7901
No. of parameters 546
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.31, 0.21

Computer programs: APEX2 and SAINT (Bruker, 2008), SHELXS97 and SHELXL2014 (Sheldrick, 2008), ORTEP-3 for Windows (Farrugia, 2012), and PLATON (Spek, 2009).