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. 2017 Apr 28;73(Pt 5):763–766. doi: 10.1107/S2056989017006077

Table 2. Experimental details.

Crystal data
Chemical formula C30H44O5
M r 484.65
Crystal system, space group Monoclinic, P21
Temperature (K) 100
a, b, c (Å) 8.3465 (2), 10.9783 (3), 14.6583 (4)
β (°) 101.056 (1)
V3) 1318.22 (6)
Z 2
Radiation type Cu Kα
μ (mm−1) 0.64
Crystal size (mm) 0.45 × 0.23 × 0.12
 
Data collection
Diffractometer Bruker SMART APEX CCD area-detector
Absorption correction Multi-scan (SADABS; Bruker, 2009)
T min, T max 0.760, 0.927
No. of measured, independent and observed [I > 2σ(I)] reflections 28696, 5116, 5023
R int 0.042
(sin θ/λ)max−1) 0.618
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.041, 0.115, 1.06
No. of reflections 5116
No. of parameters 325
No. of restraints 2
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.70, −0.31
Absolute structure Flack, 1983
Absolute structure parameter 0.14 (17)

Computer programs: SMART and SAINT (Bruker, 2009), SHELXTL (Sheldrick, 2008), PLATON (Spek, 2009) and publCIF (Westrip, 2010).