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. 2015 Mar 18;71(Pt 4):377–379. doi: 10.1107/S2056989015004569

Table 2. Experimental details.

Crystal data
Chemical formula C24H22N4O5
M r 446.45
Crystal system, space group Monoclinic, P21/n
Temperature (K) 120
a, b, c () 7.6821(4), 23.2151(12), 25.1943(15)
() 95.803(2)
V (3) 4470.1(4)
Z 8
Radiation type Mo K
(mm1) 0.10
Crystal size (mm) 0.45 0.21 0.14
 
Data collection
Diffractometer Bruker APEXII
Absorption correction Multi-scan (SADABS; Sheldrick, 1996)
T min, T max 0.692, 0.746
No. of measured, independent and observed [I > 2(I)] reflections 34631, 11046, 8755
R int 0.031
(sin /)max (1) 0.668
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.040, 0.094, 1.02
No. of reflections 11046
No. of parameters 607
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
max, min (e 3) 0.35, 0.22

Computer programs: APEX2 and SAINT (Bruker, 2005), SUPERFLIP (Palatinus Chapuis 2007), SHELXL2014 (Sheldrick, 2015) and SHELXTL (Sheldrick, 2008).