A Route to Carbasugar Analogues - Jonathan Clayden - The ...
A Route to Carbasugar Analogues - Jonathan Clayden - The ...
A Route to Carbasugar Analogues - Jonathan Clayden - The ...
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C7 0.0311(13) 0.0244(13) 0.0347(13) -<br />
0.0026(11) 0.0077(11) -0.0019(10)<br />
C8 0.0229(12) 0.0225(13) 0.0271(13)<br />
0.0038(11) 0.0025(10) 0.0019(10)<br />
C9 0.0332(13) 0.0232(13) 0.0331(14) -<br />
0.0042(11) 0.0054(11) 0.0026(11)<br />
C10 0.0270(13) 0.0313(15) 0.0440(16)<br />
0.0037(12) 0.0014(11) 0.0056(11)<br />
C11 0.0319(13) 0.0226(13) 0.0313(13)<br />
0.0061(11) -0.0029(11) -0.0009(11)<br />
C12 0.0146(11) 0.0146(12) 0.0341(14) -<br />
0.0031(10) 0.0008(10) 0.0039(9)<br />
C13 0.0232(11) 0.0176(12) 0.0237(12) -<br />
0.0006(9) -0.0026(10) 0.0033(10)<br />
C14 0.0227(12) 0.0198(12) 0.0209(12)<br />
0.0032(10) 0.0044(10) -0.0039(10)<br />
C15 0.0175(11) 0.0216(13) 0.0205(12)<br />
0.0014(10) -0.0018(9) 0.0047(10)<br />
C16 0.0226(12) 0.0208(13) 0.0285(13) -<br />
0.0013(11) -0.0013(10) -0.0010(10)<br />
C17 0.0280(13) 0.0213(13) 0.0381(14) -<br />
0.0138(12) 0.0023(11) -0.0013(11)<br />
C18 0.0217(12) 0.0352(15) 0.0238(13) -<br />
0.0064(11) 0.0010(10) 0.0021(12)<br />
C19 0.0296(13) 0.0268(14) 0.0269(13)<br />
0.0080(11) -0.0029(10) -0.0011(11)<br />
C20 0.0326(13) 0.0180(13) 0.0271(13)<br />
0.0015(11) -0.0012(10) 0.0038(11)<br />
C21 0.0265(12) 0.0194(13) 0.0171(12)<br />
0.0033(9) 0.0011(9) 0.0007(11)<br />
C22 0.0306(13) 0.0204(13) 0.0249(13)<br />
0.0013(10) 0.0045(10) -0.0001(11)<br />
C23 0.0450(15) 0.0228(15) 0.0296(14)<br />
0.0016(11) 0.0040(12) -0.0071(12)<br />
C24 0.0567(17) 0.0179(13) 0.0255(13)<br />
0.0010(11) 0.0079(13) 0.0102(13)<br />
C25 0.0355(13) 0.0308(15) 0.0300(13)<br />
0.0007(12) 0.0117(12) 0.0075(12)<br />
C26 0.0279(13) 0.0211(14) 0.0324(14) 0.0002(10)<br />
0.0037(10) -0.0027(11)<br />
N1 0.0221(10) 0.0200(10) 0.0238(10) -0.0018(9)<br />
0.0016(8) -0.0008(8)<br />
O1 0.0251(8) 0.0176(8) 0.0290(9) 0.0025(7) -<br />
0.0006(7) -0.0024(7)<br />
O2 0.0290(8) 0.0191(9) 0.0251(8) 0.0025(7) -<br />
0.0045(7) -0.0027(7)<br />
_geom_special_details<br />
All esds (except the esd in the dihedral angle<br />
between two l.s. planes)<br />
are estimated using the full covariance matrix. <strong>The</strong><br />
cell esds are taken<br />
in<strong>to</strong> account individually in the estimation of esds<br />
in distances, angles<br />
and <strong>to</strong>rsion angles; correlations between esds in<br />
cell parameters are only<br />
used when they are defined by crystal symmetry.<br />
An approximate (isotropic)<br />
treatment of cell esds is used for estimating esds<br />
involving l.s. planes.<br />
loop_<br />
_geom_bond_a<strong>to</strong>m_site_label_1<br />
_geom_bond_a<strong>to</strong>m_site_label_2<br />
_geom_bond_distance<br />
_geom_bond_site_symmetry_2<br />
_geom_bond_publ_flag<br />
C1 C12 1.502(3) . ?<br />
C1 C6 1.510(2) . ?<br />
C1 C7 1.547(2) . ?<br />
C1 C2 1.561(2) . ?<br />
C2 C3 1.513(2) . ?<br />
C2 C8 1.554(2) . ?<br />
C2 H2 1.0000 . ?<br />
C3 C4 1.329(2) . ?<br />
C3 H3 0.9500 . ?<br />
C4 O1 1.383(2) . ?<br />
291