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. 2021 Jul 13;77(Pt 8):785–787. doi: 10.1107/S2056989021006927

Table 2. Experimental details.

Crystal data
Chemical formula C15H21NO3
M r 263.33
Crystal system, space group Monoclinic, P21/c
Temperature (K) 133
a, b, c (Å) 18.4574 (8), 5.7020 (2), 14.8058 (6)
β (°) 113.468 (1)
V3) 1429.33 (10)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.10 × 0.10 × 0.08
 
Data collection
Diffractometer Nonius KappaCCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.674, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 13968, 3280, 2464
R int 0.040
(sin θ/λ)max−1) 0.649
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.049, 0.113, 1.04
No. of reflections 3280
No. of parameters 177
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.27, −0.21

Computer programs: COLLECT (Nonius 1998), DENZO (Otwinowski & Minor, 1997), SHELXS97 (Sheldrick, 2008), SHELXL2018/3 (Sheldrick, 2015), ORTEP-3 (Farrugia, 2012) and Mercury (Macrae et al., 2020).