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. 2015 Jan 1;71(Pt 1):79–81. doi: 10.1107/S2056989014027169

Table 2. Experimental details.

Crystal data
Chemical formula C14H25NO3
M r 255.35
Crystal system, space group Monoclinic, P21
Temperature (K) 150
a, b, c () 6.3300(1), 22.0241(5), 10.1179(2)
() 95.2083(12)
V (3) 1404.74(5)
Z 4
Radiation type Mo K
(mm1) 0.08
Crystal size (mm) 0.44 0.42 0.28
 
Data collection
Diffractometer Bruker Kappa APEXII DUO
Absorption correction Multi-scan (SADABS; Bruker, 2008)
T min, T max 0.92, 0.98
No. of measured, independent and observed [I > 2(I)] reflections 42775, 6792, 6514
R int 0.027
(sin /)max (1) 0.660
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.031, 0.082, 1.06
No. of reflections 6792
No. of parameters 343
No. of restraints 1
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
max, min (e 3) 0.24, 0.15
Absolute structure Flack x determined using 3097 quotients [(I +)(I )]/[(I +)+(I )] (Parsons et al., 2013)
Absolute structure parameter 0.21(19)

Computer programs: APEX2 (Bruker, 2011), SAINT (Bruker, 2009), SHELXS97, SHELXL2014 and SHELXTL (Sheldrick, 2008).