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. 2017 Nov 3;73(Pt 12):1817–1819. doi: 10.1107/S2056989017015730

Table 2. Experimental details.

Crystal data
Chemical formula C29H24Cl2N2O4
M r 535.40
Crystal system, space group Monoclinic, P21/c
Temperature (K) 293
a, b, c (Å) 9.776 (2), 15.939 (3), 17.581 (4)
β (°) 101.94 (3)
V3) 2680.2 (9)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.28
Crystal size (mm) 0.30 × 0.20 × 0.10
 
Data collection
Diffractometer Enraf–Nonius CAD-4
Absorption correction ψ scan (North et al., 1968)
T min, T max 0.921, 0.973
No. of measured, independent and observed [I > 2σ(I)] reflections 5221, 4917, 2864
R int 0.034
(sin θ/λ)max−1) 0.603
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.067, 0.192, 1.00
No. of reflections 4917
No. of parameters 328
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.69, −1.14

Computer programs: CAD-4 EXPRESS (Enraf–Nonius, 1994), XCAD4 (Harms & Wocadlo, 1995), SHELXTL (Sheldrick, 2008) and Mercury (Macrae et al., 2008).