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. 2014 Aug 9;70(Pt 9):127–129. doi: 10.1107/S1600536814017929

Table 2. Experimental details.

Crystal data
Chemical formula C30H28N2O6
M r 512.54
Crystal system, space group Monoclinic, P21/c
Temperature (K) 293
a, b, c (Å) 12.9549 (5), 14.5280 (5), 13.8522 (4)
β (°) 100.433 (2)
V3) 2564.00 (15)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.23 × 0.21 × 0.15
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2004)
T min, T max 0.979, 0.986
No. of measured, independent and observed [I > 2σ(I)] reflections 23615, 4509, 3508
R int 0.032
(sin θ/λ)max−1) 0.594
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.037, 0.098, 1.02
No. of reflections 4509
No. of parameters 348
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.19, −0.14

Computer programs: APEX2 and SAINT (Bruker, 2004), SHELXS97 and SHELXL97 (Sheldrick, 2008), ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2009).