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. 2018 May 4;74(Pt 6):780–785. doi: 10.1107/S2056989018006527

Table 3. Experimental details.

  (I) (II)
Crystal data
Chemical formula C28H25NO C35H25NO
M r 391.49 475.56
Crystal system, space group Triclinic, P Inline graphic Monoclinic, C2/c
Temperature (K) 296 296
a, b, c (Å) 8.0535 (15), 9.0457 (17), 15.352 (3) 31.2875 (16), 9.0470 (4), 18.3643 (8)
α, β, γ (°) 106.553 (4), 101.572 (4), 94.385 (4) 90, 99.388 (3), 90
V3) 1039.6 (3) 5128.5 (4)
Z 2 8
Radiation type Mo Kα Mo Kα
μ (mm−1) 0.08 0.07
Crystal size (mm) 0.64 × 0.23 × 0.10 0.96 × 0.23 × 0.17
 
Data collection
Diffractometer Bruker SMART APEXII DUO CCD area-detector Bruker SMART APEXII DUO CCD area-detector
Absorption correction Multi-scan (SADABS; Bruker, 2009) Multi-scan (SADABS; Bruker, 2009)
T min, T max 0.724, 0.972 0.645, 0.957
No. of measured, independent and observed [I > 2σ(I)] reflections 27976, 4812, 2122 98729, 7726, 4183
R int 0.079 0.076
(sin θ/λ)max−1) 0.652 0.712
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.068, 0.246, 1.01 0.057, 0.144, 1.02
No. of reflections 4812 7726
No. of parameters 271 334
H-atom treatment H-atom parameters constrained H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.26, −0.19 0.13, −0.14

Computer programs: APEX2 and SAINT (Bruker, 2009), SHELXL2014 and SHELXL2013 (Sheldrick, 2015), SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009).