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. 2015 Jan 1;71(Pt 1):8–11. doi: 10.1107/S2056989014026048

Table 2. Experimental details.

Crystal data
Chemical formula C36H44O10C6H6
M r 714.82
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 90
a, b, c () 9.6397(6), 13.6008(8), 15.0461(10)
, , () 83.6966(19), 77.488(2), 77.9768(18)
V (3) 1879.2(2)
Z 2
Radiation type Mo K
(mm1) 0.09
Crystal size (mm) 0.50 0.37 0.19
 
Data collection
Diffractometer Bruker D8 Venture
Absorption correction Multi-scan (SADABS; Bruker, 2013)
T min, T max 0.96, 0.98
No. of measured, independent and observed [I > 2(I)] reflections 25389, 6526, 5180
R int 0.043
(sin /)max (1) 0.595
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.042, 0.151, 0.93
No. of reflections 6526
No. of parameters 475
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.25, 0.25

Computer programs: APEX2 and SAINT (Bruker, 2013), SHELXS2013 and SHELXL2014 (Sheldrick, 2008), Mercury (Macrae et al., 2006), publCIF (Westrip, 2010) and PLATON (Spek, 2009).