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. 2015 Jan 1;71(Pt 1):35–37. doi: 10.1107/S2056989014026358

Table 2. Experimental details.

Crystal data
Chemical formula C21H16N2O
M r 312.36
Crystal system, space group Orthorhombic, F2d d
Temperature (K) 150
a, b, c () 8.1653(3), 27.6113(11), 29.6818(13)
V (3) 6691.9(5)
Z 16
Radiation type Mo K
(mm1) 0.08
Crystal size (mm) 0.55 0.29 0.24
 
Data collection
Diffractometer Bruker APEXII
Absorption correction Multi-scan (SADABS; Bruker, 2006)
T min, T max 0.884, 0.982
No. of measured, independent and observed [I > 2(I)] reflections 8049, 3350, 3036
R int 0.032
(sin /)max (1) 0.649
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.039, 0.094, 1.06
No. of reflections 3350
No. of parameters 217
No. of restraints 1
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.18, 0.16

Computer programs: APEX2 and SAINT (Bruker, 2006), SIR97 (Altomare et al., 1999), SHELXL2014 (Sheldrick, 2008), Mercury (Macrae et al., 2008), CRYSCAL (T. Roisnel, local program), enCIFer (Allen et al., 2004), PLATON (Spek, 2009), WinGX (Farrugia, 2012) and publCIF (Westrip 2010).