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. 2017 May 31;73(Pt 6):905–907. doi: 10.1107/S2056989017007642

Table 2. Experimental details.

Crystal data
Chemical formula C26H38N5P
M r 451.58
Crystal system, space group Monoclinic, P21/n
Temperature (K) 150
a, b, c (Å) 10.0148 (12), 17.343 (2), 15.6270 (19)
β (°) 105.948 (2)
V3) 2609.7 (5)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.13
Crystal size (mm) 0.39 × 0.35 × 0.27
 
Data collection
Diffractometer Siemens/Bruker APEXII
Absorption correction Multi-scan (SADABS; Bruker, 2008)
T min, T max 0.718, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 29851, 5708, 4350
R int 0.047
(sin θ/λ)max−1) 0.639
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.046, 0.123, 1.02
No. of reflections 5708
No. of parameters 291
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.36, −0.39

Computer programs: APEX2 and SAINT (Bruker, 2008), SHELXT2014 (Sheldrick, 2015a ), SHELXL2016 (Sheldrick, 2015b ), ORTEP-3 for Windows (Farrugia, 2012), PLATON (Spek, 2009) and publCIF (Westrip, 2010).