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. 2018 Feb 2;74(Pt 3):271–274. doi: 10.1107/S2056989018001688

Table 3. Experimental details.

Crystal data
Chemical formula C28H28N2O2
M r 424.52
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 173
a, b, c (Å) 4.7089 (2), 9.6760 (4), 12.1952 (5)
α, β, γ (°) 93.387 (3), 92.165 (2), 103.180 (2)
V3) 539.32 (4)
Z 1
Radiation type Mo Kα
μ (mm−1) 0.08
Crystal size (mm) 0.31 × 0.18 × 0.06
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2014)
T min, T max 0.659, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 6528, 1888, 1683
R int 0.019
(sin θ/λ)max−1) 0.594
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.048, 0.145, 1.10
No. of reflections 1888
No. of parameters 156
No. of restraints 6
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.37, −0.60

Computer programs: APEX2 and SAINT (Bruker, 2014), SHELXS97 and SHELXTL (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015), DIAMOND (Brandenburg, 2010) and publCIF (Westrip, 2010).