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. 2015 Feb 18;71(Pt 3):275–277. doi: 10.1107/S2056989015001747

Table 2. Experimental details.

Crystal data
Chemical formula C24H39NO3
M r 389.56
Crystal system, space group Orthorhombic, P212121
Temperature (K) 105
a, b, c () 7.7256(4), 19.0030(9), 29.8162(15)
V (3) 4377.3(4)
Z 8
Radiation type Mo K
(mm1) 0.08
Crystal size (mm) 0.65 0.21 0.10
 
Data collection
Diffractometer Bruker D8 Vantage single-crystal CCD
Absorption correction Multi-scan (SADABS; Bruker, 2013)
T min, T max 0.852, 1.000
No. of measured, independent and observed [I > 2(I)] reflections 44800, 7739, 5760
R int 0.089
(sin /)max (1) 0.596
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.048, 0.098, 1.04
No. of reflections 7739
No. of parameters 511
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
max, min (e 3) 0.21, 0.19

Computer programs: APEX2 and SAINT-Plus (Bruker, 2013), SHELXS2013 (Sheldrick, 2008), SHELXL2013 (Sheldrick, 2015) and Mercury (Macrae et al., 2008).