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. 2015 Apr 18;71(Pt 5):490–493. doi: 10.1107/S2056989015007136

Table 2. Experimental details.

Crystal data
Chemical formula C36H42O8
M r 602.69
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 90
a, b, c () 10.9358(6), 11.6121(6), 13.6833(7)
, , () 72.148(2), 86.447(2), 66.766(2)
V (3) 1516.36(14)
Z 2
Radiation type Mo K
(mm1) 0.09
Crystal size (mm) 0.32 0.27 0.16
 
Data collection
Diffractometer Bruker D8 Venture
Absorption correction Multi-scan (SADABS; Bruker, 2014)
T min, T max 0.97, 0.98
No. of measured, independent and observed [I > 2(I)] reflections 27885, 5346, 4078
R int 0.052
(sin /)max (1) 0.595
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.047, 0.120, 1.04
No. of reflections 5346
No. of parameters 402
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.59, 0.23

Computer programs: APEX2 and SAINT (Bruker, 2014), SHELXS2013 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015), Mercury (Macrae et al., 2006), publCIF (Westrip, 2010) and PLATON (Spek, 2009).