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. 2015 Jan 1;71(Pt 1):1–3. doi: 10.1107/S2056989014025110

Table 2. Experimental details.

Crystal data
Chemical formula C22H17NO4
M r 359.37
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 293
a, b, c () 10.1924(3), 10.8732(3), 16.9675(6)
, , () 97.926(2), 93.711(2), 107.729(2)
V (3) 1762.61(10)
Z 4
Radiation type Mo K
(mm1) 0.09
Crystal size (mm) 0.35 0.35 0.30
 
Data collection
Diffractometer Bruker Kappa APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2004)
T min, T max 0.833, 1.000
No. of measured, independent and observed [I > 2(I)] reflections 39509, 10197, 4932
R int 0.034
(sin /)max (1) 0.704
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.062, 0.213, 1.05
No. of reflections 10197
No. of parameters 525
No. of restraints 122
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.38, 0.18

Computer programs: APEX2, SAINT and XPREP (Bruker, 2004), SHELXS2013 and SHELXL2014 (Sheldrick, 2008), ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2009).