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. 2018 Jun 28;74(Pt 7):1035–1038. doi: 10.1107/S2056989018009003

Table 2. Experimental details.

Crystal data
Chemical formula C27H33N3O6
M r 495.56
Crystal system, space group Monoclinic, P21/c
Temperature (K) 296
a, b, c (Å) 18.084 (2), 7.3858 (10), 20.614 (3)
β (°) 104.725 (5)
V3) 2662.9 (6)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.34 × 0.19 × 0.14
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Sheldrick, 2008)
T min, T max 0.964, 0.982
No. of measured, independent and observed [I > 2σ(I)] reflections 30340, 5064, 2847
R int 0.100
(sin θ/λ)max−1) 0.612
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.053, 0.159, 1.01
No. of reflections 5064
No. of parameters 331
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.17, −0.24

Computer programs: APEX2 and SAINT (Bruker, 2007), SHELXS97 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015), ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2003).