Skip to main content
. 2017 May 26;73(Pt 6):896–900. doi: 10.1107/S2056989017007460

Table 3. Experimental details.

  (I) (II) (III)
Crystal data
Chemical formula C26H22O4 C26H22O4 C28H26O6
M r 398.43 398.43 458.49
Crystal system, space group Monoclinic, P21/c Monoclinic, P21/c Monoclinic, P21/n
Temperature (K) 294 294 294
a, b, c (Å) 7.1078 (11), 24.544 (4), 6.0449 (9) 5.2626 (5), 15.6157 (14), 12.4824 (11) 6.9595 (6), 21.0272 (17), 8.3297 (7)
β (°) 101.898 (2) 98.760 (2) 103.602 (2)
V3) 1031.9 (3) 1013.83 (16) 1184.77 (17)
Z 2 2 2
Radiation type Mo Kα Mo Kα Mo Kα
μ (mm−1) 0.09 0.09 0.09
Crystal size (mm) 0.39 × 0.35 × 0.18 0.90 × 0.48 × 0.09 0.35 × 0.27 × 0.16
 
Data collection
Diffractometer Bruker APEXII DUO CCD area-detector Bruker APEXII DUO CCD area-detector Bruker APEXII DUO CCD area-detector
Absorption correction Multi-scan (SADABS; Bruker, 2012) Multi-scan (SADABS; Bruker, 2012) Multi-scan (SADABS; Bruker, 2012)
T min, T max 0.883, 0.985 0.874, 0.992 0.890, 0.985
No. of measured, independent and observed [I > 2σ(I)] reflections 8322, 2183, 1705 17791, 2458, 1574 12532, 3165, 2328
R int 0.024 0.043 0.030
(sin θ/λ)max−1) 0.634 0.662 0.683
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.040, 0.119, 1.03 0.044, 0.132, 1.03 0.049, 0.136, 1.04
No. of reflections 2183 2458 3165
No. of parameters 137 137 156
H-atom treatment H-atom parameters constrained H-atom parameters constrained H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.19, −0.14 0.14, −0.14 0.20, −0.16

Computer programs: APEX2 and SAINT (Bruker, 2012), SHELXS97 (Sheldrick, 2008), SHELXL2013 (Sheldrick, 2015), Mercury (Macrae et al., 2006) and PLATON (Spek, 2009).