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. 2015 Jan 21;71(Pt 2):184–187. doi: 10.1107/S2056989015000171

Table 2. Experimental details.

Crystal data
Chemical formula C34H38O8
M r 574.64
Crystal system, space group Orthorhombic, P b c n
Temperature (K) 293
a, b, c () 19.7086(5), 20.3099(7), 8.8443(4)
V (3) 3540.2(2)
Z 4
Radiation type Cu K
(mm1) 0.62
Crystal size (mm) 0.35 0.28 0.26
 
Data collection
Diffractometer Oxford Diffraction Xcalibur Ruby
Absorption correction Multi-scan (SCALE3 ABSPACK in CrysAlis PRO; Oxford Diffraction, 2009)
T min, T max 0.914, 1.000
No. of measured, independent and observed [I > 2(I)] reflections 12345, 3340, 1826
R int 0.049
(sin /)max (1) 0.613
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.056, 0.162, 0.93
No. of reflections 3340
No. of parameters 200
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
max, min (e 3) 0.24, 0.17

Computer programs: CrysAlis PRO (Oxford Diffraction, 2009), SHELXS97, SHELXL97 and XP in SHELXTL (Sheldrick, 2008).