— iMol view — |
Formula C16 H21 Cl O10 Mr 408.78 C.System triclinic SPG P-1 a, Å 9.516(10) b, Å 16.66(2) c, Å 6.226(4) α, º 98.72(9) β, º 105.35(7) γ, º 98.72(11) V, Å3 921.8(18) Z 2 TEMP, K 293 Dx, g cm-3 1.473 F(000) 428 μ, mm-1 2.328 λ, Å 1.5418 Radiation Rigaku RU200 Device Rigaku AFC5R NREF (obs) 2907 Rint 0.1335 θmax 60.22 (0.89 Å resolution) NREF (tatal) 2718 NREF (>2σ) 1688 Flack — Npara 244 R1 0.1030 wR 0.2516 Goodness of fit 1.101 (Δ/σ)max 0.001 Fraction 0.993 Δρmax, e Å-3 0.491 Δρmin, e Å-3 -0.590 Get coordinates | mol2 | pdb | |