Table 1. Structure Refinement Details for AMA.
CCDC | 2058057 |
chemical formula | C20H18O7 |
temperature (K) | 296 |
space group | P21/c |
crystal system | monoclinic |
Mr | 370.34 |
a, b, c (Å) | 6.1033 (10), 40.920 (7), 7.8767 (14) |
α, β, γ (deg) | 90, 111.350 (5), 90 |
volume, V (Å3) | 1832.2 (6) |
crystal size (mm) | 0.10 × 0.06 × 0.05 |
calculated density (Mg/m3) | 1.343 |
F000 | 776 |
μ (mm–1) | 0.10 |
Z | 4 |
diffractometer | Bruker APEX3 CCD |
θ range (deg) | 2.8 ≤ θ ≤ 25.8 |
wavelength (Å) | 0.71073 |
measurement method | ω scan |
absorption correction | multiscan |
hmin, hmax | –8, 8 |
kmin, kmax | –54, 54 |
lmin, lmax | –10, 10 |
Rint | 0.046 |
reflections collected | 51787 |
independent reflections | 4571 |
observed reflections [I > 2σ(I)] | 2041 |
refinement method | SHELXL18/3 |
parameters | 317 |
R[F2 > 2σ(F2)] | 0.065 |
wR(F2) | 0.234 |
GooF = S | 1.07 |
Δρmin, Δρmax (e/Å3) | –0.31, 0.31 |