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. 2016 Jan 27;72(Pt 2):257–260. doi: 10.1107/S2056989016001432

Table 2. Experimental details.

Crystal data
Chemical formula C24H25NO9
M r 471.46
Crystal system, space group Monoclinic, P21/n
Temperature (K) 103
a, b, c (Å) 11.0111 (7), 13.1762 (8), 15.8196 (9)
β (°) 93.802 (2)
V3) 2290.1 (2)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.11
Crystal size (mm) 0.45 × 0.38 × 0.08
 
Data collection
Diffractometer R-AXIS RAPID
Absorption correction Empirical (NUMABS; Higashi, 2002)
T min, T max 0.957, 0.979
No. of measured, independent and observed [I > 2σ(I)] reflections 67635, 7609, 6054
R int 0.046
(sin θ/λ)max−1) 0.735
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.049, 0.128, 1.12
No. of reflections 7609
No. of parameters 310
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.49, −0.38

Computer programs: CrystalClear (Rigaku/MSC, 2008), SHELXS97 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015) and Mercury (Macrae et al., 2006).