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. 2020 May 5;76(Pt 6):807–810. doi: 10.1107/S2056989020005964

Table 2. Experimental details.

Crystal data
Chemical formula C14H16
M r 184.27
Crystal system, space group Monoclinic, P21/c
Temperature (K) 213
a, b, c (Å) 11.3214 (9), 6.7426 (6), 14.9478 (12)
β (°) 107.234 (9)
V3) 1089.82 (16)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.06
Crystal size (mm) 0.26 × 0.23 × 0.20
 
Data collection
Diffractometer Stoe IPDS
No. of measured, independent and observed [I > 2σ(I)] reflections 9458, 2593, 1885
R int 0.039
(sin θ/λ)max−1) 0.661
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.044, 0.124, 0.99
No. of reflections 2593
No. of parameters 191
H-atom treatment All H-atom parameters refined
Δρmax, Δρmin (e Å−3) 0.29, −0.17

Computer programs: IPDS Software (Stoe & Cie, 2000), SHELXS97 (Sheldrick, 2008), SHELXL2018/1 (Sheldrick, 2015), DIAMOND (Brandenburg, 1999) and WinGX (Farrugia, 2012).