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. 2020 Nov 13;76(Pt 12):1827–1831. doi: 10.1107/S2056989020014966

Table 4. Experimental details.

Crystal data
Chemical formula C22H33N3O4
M r 403.51
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 100
a, b, c (Å) 9.6579 (19), 11.798 (2), 12.216 (2)
α, β, γ (°) 100.95 (3), 109.41 (3), 111.12 (3)
V3) 1146.3 (7)
Z 2
Radiation type Synchrotron, λ = 0.96990 Å
μ (mm−1) 0.17
Crystal size (mm) 0.25 × 0.15 × 0.12
 
Data collection
Diffractometer Rayonix SX165 CCD
Absorption correction Multi-scan (SCALA; Evans, 2006)
T min, T max 0.950, 0.970
No. of measured, independent and observed [I > 2σ(I)] reflections 14236, 4609, 3323
R int 0.081
(sin θ/λ)max−1) 0.642
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.067, 0.180, 1.04
No. of reflections 4609
No. of parameters 270
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.36, −0.32

Computer programs: Marccd (Doyle, 2011), iMosflm (Battye et al., 2011), SHELXT (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ), ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2020).