Table 3. Experimental details.
Crystal data | |
Chemical formula | C24H27BrO5 |
M r | 475.36 |
Crystal system, space group | Triclinic, P\overline{1} |
Temperature (K) | 296 |
a, b, c (Å) | 9.851 (3), 10.763 (3), 12.313 (3) |
α, β, γ (°) | 82.38 (1), 66.900 (9), 73.484 (10) |
V (Å3) | 1150.9 (5) |
Z | 2 |
Radiation type | Mo Kα |
μ (mm−1) | 1.82 |
Crystal size (mm) | 0.30 × 0.25 × 0.20 |
Data collection | |
Diffractometer | Bruker Kappa APEX3 CMOS |
Absorption correction | Multi-scan (SADABS; Bruker, 2016 ▸) |
T min, T max | 0.550, 0.746 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 47600, 4052, 3694 |
R int | 0.029 |
(sin θ/λ)max (Å−1) | 0.595 |
Refinement | |
R[F 2 > 2σ(F 2)], wR(F 2), S | 0.027, 0.072, 1.08 |
No. of reflections | 4052 |
No. of parameters | 276 |
H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
Δρmax, Δρmin (e Å−3) | 0.32, −0.50 |