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. Author manuscript; available in PMC: 2019 Jul 30.
Published in final edited form as: IUCrdata. 2018 Sep;3(9):x181306. doi: 10.1107/S2414314618013068

Table 1.

Experimental details

Crystal data
Chemical formula C17H18O2
Mr 254.31
Crystal system, space group Triclinic, P1¯
Temperature (K) 150
a, b, c (Å) 7.841 (4), 8.203 (4), 11.080 (6)
α, β, γ (°) 79.131 (7), 85.616 (6), 74.077 (6)
V3) 672.8 (6)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.08
Crystal size (mm) 0.39 × 0.23 × 0.15
 
Data collection
Diffractometer Bruker SMART APEX CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
Tmin, Tmax 0.790, 0.987
No. of measured, independent and observed [I > 2σ(I)] reflections 4601,1806, 1345
Rint 0.029
θmax (°) 22.7
(sin θ/λ)max−1) 0.544
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.052, 0.152, 1.11
No. of reflections 1806
No. of parameters 244
H-atom treatment All H-atom parameters refined
Δρmax, Δρmin (e Å−3) 0.23, −0.24

Computer programs: APEX3 and SAINT (Bruker, 2016), SHELXT (Sheldrick, 2015a), SHELXL2018/1 (Sheldrick, 2015b) and SHELXTL (Sheldrick, 2008).