A Route to Carbasugar Analogues - Jonathan Clayden - The ...

C3 0.015(3) 0.016(3) 0.021(3) -0.002(2) 0.012(2) -0.002(2)
C4 0.015(2) 0.019(3) 0.011(2) -0.004(2) 0.003(2) 0.000(2)
C5 0.028(3) 0.016(3) 0.017(3) 0.002(2) 0.012(2) -0.001(2)
C6 0.017(3) 0.013(3) 0.020(3) -0.001(2) 0.009(2) -0.001(2)
C7 0.016(3) 0.027(3) 0.030(3) 0.009(3) 0.008(2) 0.001(2)
C8 0.022(3) 0.016(3) 0.021(3) -0.002(2) 0.006(2) -0.008(2)
C9 0.021(3) 0.024(3) 0.016(3) 0.004(2) 0.006(2) 0.001(2)
C10 0.019(3) 0.024(3) 0.024(3) 0.008(2) 0.002(2) 0.003(3)
C11 0.036(3) 0.033(3) 0.020(3) 0.002(3) 0.011(3) -0.002(3)
O6 0.0186(18) 0.0144(19) 0.0211(18) 0.0020(15) 0.0066(15) 0.0023(16)
O7 0.0205(18) 0.0133(18) 0.0220(18) -0.0025(17) 0.0080(15) -0.0063(16)
O8 0.0166(18) 0.0138(19) 0.0141(17) 0.0001(15) 0.0018(14) -0.0020(16)
O9 0.0151(19) 0.0129(18) 0.0177(17) 0.0047(15) 0.0074(15) 0.0050(15)
O10 0.0111(17) 0.0147(19) 0.0224(18) 0.0020(15) 0.0093(14) -0.0010(15)
C12 0.015(3) 0.016(3) 0.018(3) -0.003(2) 0.006(2) -0.001(2)
C13 0.023(3) 0.011(3) 0.013(2) -0.002(2) 0.008(2) 0.003(2)
C14 0.014(2) 0.018(3) 0.020(3) -0.002(2) 0.006(2) -0.003(2)
C15 0.013(2) 0.013(3) 0.011(2) 0.000(2) -0.0002(19) 0.007(2)
C16 0.023(3) 0.006(3) 0.020(3) 0.000(2) 0.014(2) 0.003(2)
C17 0.016(3) 0.003(2) 0.021(3) -0.001(2) 0.006(2) -0.001(2)
C18 0.014(3) 0.019(3) 0.014(2) 0.001(2) 0.004(2) -0.001(2)
C19 0.015(3) 0.022(3) 0.019(3) -0.004(2) 0.001(2) 0.000(2)
C20 0.026(3) 0.014(3) 0.014(3) -0.001(2) 0.010(2) -0.005(2)
C21 0.024(3) 0.024(3) 0.022(3) 0.002(2) 0.011(2) -0.002(3)
C22 0.038(3) 0.019(3) 0.025(3) 0.001(2) 0.020(3) -0.004(3)
O1S 0.033(2) 0.013(2) 0.022(2) -0.0036(17) 0.0114(17) -0.0030(19)
O2S 0.023(2) 0.0147(19) 0.0155(19) 0.0006(16) 0.0068(16) -0.0009(17)
_geom_special_details
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
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