Boc-Pro-Hyp-Gly-OBzl (POG)

— iMol stereoview —

                  A O G       P O G
Formula           C22H31N3O7  C24H33N3O7
Mr                449.50      475.53
C.System          triclinic   monoclinic
SPG               P1          P21
a, Å              5.8816(3)   8.922(2)
b, Å              10.6294(6)  15.208(3)
c, Å              19.707(1)   18.692(4)
α, º              75.240(1)   90
β, º              82.560(1)   91.523(3)
γ, º              81.780(1)   90
V, Å3             1173.6(1)   2535.1(9)
Z                  2          4
TEMP, K           200         200
Dx, g cm-3        1.272       1.246
F(000)            480         1016
μ, mm-1           0.095       0.092
λ, Å              0.71073     0.71073
Radiation         M18XCE      M18XCE 
Device            SMART APEX  SMART APEX
NREF (obs)        13595       21865
Rint              0.1335      0.0277
Resolution, Å     0.78        0.78
NREF (tatal)      5142        5790
NREF (>2σ)        5049        4804
Flack             1.(2)       -0.(1)
Npara             593         627
R1                0.0379      0.0564
wR                0.0989      0.1497
Goodness of fit   1.022       1.107
(Δ/σ)max          0.002       0.004
Fraction          0.989       0.996
Δρmax, e Å-3      0.434       0.511
Δρmin, e Å-3      -0.162      -0.457

  Get PDB         aog.pdb     pog.pdb 
      mol2        aog.mol2    pog.mol2