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. 2015 Jun 3;71(Pt 7):741–743. doi: 10.1107/S2056989015010051

Table 2. Experimental details.

Crystal data
Chemical formula C14H24N2O5S
M r 332.41
Crystal system, space group Monoclinic, P21
Temperature (K) 173
a, b, c () 11.509(3), 5.9290(18), 25.751(8)
() 98.307(3)
V (3) 1738.7(9)
Z 4
Radiation type Mo K
(mm1) 0.21
Crystal size (mm) 0.50 0.15 0.05
 
Data collection
Diffractometer Bruker APEXII CCD area detector
Absorption correction Multi-scan (SADABS; Bruker, 2008)
T min, T max 0.88, 0.99
No. of measured, independent and observed [I > 2(I)] reflections 19532, 7699, 6307
R int 0.026
(sin /)max (1) 0.650
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.040, 0.086, 1.05
No. of reflections 7699
No. of parameters 409
No. of restraints 1
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.22, 0.25
Absolute structure Flack x determined using 2415 quotients [(I +)(I )]/[(I +)+(I )] (Parsons et al., 2013)
Absolute structure parameter 0.00(3)

Computer programs: APEX2 and SAINT (Bruker, 2008), SHELXS2014 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015), Mercury (Macrae et al., 2008) and publCIF (Westrip, 2010).