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. 2015 Feb 7;71(Pt 3):254–257. doi: 10.1107/S2056989015002091

Table 2. Experimental details.

Crystal data
Chemical formula C20H37N3O4
M r 383.59
Crystal system, space group Monoclinic, P21
Temperature (K) 100
a, b, c () 10.85(1), 9.510(9), 11.200(11)
() 94.85(2)
V (3) 1152(2)
Z 2
Radiation type Synchrotron, = 0.6199
(mm1) 0.09
Crystal size (mm) 0.30 0.05 0.02
 
Data collection
Diffractometer MAR300 CCD
Absorption correction Multi-scan (SCALEPACK; Otwinowski et al., 2003)
T min, T max 0.974, 0.999
No. of measured, independent and observed [I > 2(I)] reflections 4561, 4561, 4492
R int 0.049
(sin /)max (1) 0.767
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.041, 0.115, 1.07
No. of reflections 4561
No. of parameters 244
No. of restraints 1
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.44, 0.29

Computer programs: HKL-2000 (Otwinowski Minor, 1997), SHELXD and SHELXL97 (Sheldrick, 2008), ORTEP-3 for Windwows (Farrugia, 2012) and pyMOL (DeLano, 2002).