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. 2015 Jan 1;71(Pt 1):113–116. doi: 10.1107/S2056989014027406

Table 3. Experimental details.

Crystal data
Chemical formula C26H32N4O5
M r 480.56
Crystal system, space group Orthorhombic, P212121
Temperature (K) 100
a, b, c () 10.126(9), 15.096(14), 15.355(13)
V (3) 2347(4)
Z 4
Radiation type Cu K
(mm1) 0.78
Crystal size (mm) 0.12 0.07 0.05
 
Data collection
Diffractometer Bruker SMART 6000 CCD
Absorption correction Multi-scan (SADABS; Sheldrick, 1999)
T min, T max 0.486, 0.753
No. of measured, independent and observed [I > 2(I)] reflections 23011, 4133, 3847
R int 0.075
(sin /)max (1) 0.595
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.047, 0.112, 1.09
No. of reflections 4133
No. of parameters 330
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
max, min (e 3) 0.31, 0.43
Absolute structure Flack x determined using 1590 quotients [(I +)(I )]/[(I +)+(I )] (Parsons Flack, 2004)
Absolute structure parameter 0.10(11)

Computer programs: SMART (Bruker, 2003), SAINT (Bruker, 2004), SHELXS97 and SHELXL97 (Sheldrick, 2008), PLATON (Spek, 2009) and publCIF (Westrip, 2010).