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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_a<strong>to</strong>m_site_aniso_U_12<br />
O1 0.0253(7) 0.0262(6) 0.0156(6) -0.0021(5)<br />
0.0016(5) -0.0058(6)<br />
O2 0.0212(6) 0.0213(6) 0.0196(6) -0.0046(5)<br />
0.0022(5) -0.0030(6)<br />
N1 0.0203(7) 0.0189(7) 0.0157(7) -0.0002(6)<br />
0.0029(6) 0.0017(7)<br />
C1 0.0197(8) 0.0227(8) 0.0162(8) 0.0041(7) -<br />
0.0015(7) 0.0051(8)<br />
C2 0.0173(8) 0.0212(9) 0.0146(8) 0.0015(7) -<br />
0.0006(7) -0.0005(7)<br />
C3 0.0191(8) 0.0193(8) 0.0157(8) -0.0022(7) -<br />
0.0003(7) -0.0009(7)<br />
C4 0.0193(9) 0.0195(8) 0.0160(8) 0.0003(7)<br />
0.0005(7) 0.0017(7)<br />
C5 0.0174(8) 0.0161(8) 0.0163(8) 0.0009(7)<br />
0.0019(7) -0.0016(7)<br />
C6 0.0199(9) 0.0145(7) 0.0181(8) 0.0000(7)<br />
0.0000(7) 0.0013(7)<br />
C7 0.0233(9) 0.0205(9) 0.0145(8) -0.0018(7)<br />
0.0027(7) 0.0023(8)<br />
C8 0.0179(8) 0.0214(8) 0.0231(9) -0.0013(7)<br />
0.0040(7) 0.0008(7)<br />
C9 0.0158(8) 0.0226(9) 0.0233(9) -0.0037(7) -<br />
0.0004(7) 0.0015(7)<br />
C10 0.0311(10) 0.0241(9) 0.0210(9) 0.0002(8) -<br />
0.0004(8) 0.0069(9)<br />
C11 0.0179(8) 0.0196(8) 0.0172(8) -0.0039(7)<br />
0.0018(7) 0.0023(7)<br />
C12 0.0241(9) 0.0190(8) 0.0192(8) -0.0001(7)<br />
0.0001(8) 0.0011(8)<br />
C13 0.0197(10) 0.0258(10) 0.0345(10) -<br />
0.0089(8) -0.0030(8) 0.0035(8)<br />
C14 0.0278(10) 0.0228(9) 0.0180(8) -0.0040(7)<br />
-0.0012(7) -0.0019(8)<br />
C15 0.0158(8) 0.0198(9) 0.0193(8) 0.0010(7)<br />
0.0054(7) -0.0039(7)<br />
C16 0.0249(9) 0.0260(9) 0.0178(8) 0.0001(7)<br />
0.0024(8) 0.0028(9)<br />
C17 0.0282(10) 0.0253(9) 0.0306(10) 0.0064(8)<br />
0.0046(8) 0.0046(9)<br />
C18 0.0244(10) 0.0212(9) 0.0421(11) -0.0032(9)<br />
0.0105(9) 0.0012(9)<br />
C19 0.0260(10) 0.0285(10) 0.0282(10) -0.0099(8)<br />
0.0056(8) -0.0048(9)<br />
C20 0.0224(9) 0.0257(9) 0.0211(8) -0.0005(8) -<br />
0.0001(8) -0.0026(8)<br />
C21 0.0189(8) 0.0179(8) 0.0171(8) 0.0008(7) -<br />
0.0006(7) -0.0048(7)<br />
C22 0.0278(10) 0.0197(8) 0.0213(8) 0.0002(7)<br />
0.0022(8) 0.0007(8)<br />
C23 0.0381(11) 0.0268(10) 0.0166(8) 0.0002(7)<br />
0.0036(8) -0.0027(10)<br />
C24 0.0356(11) 0.0263(9) 0.0221(9) 0.0100(8) -<br />
0.0019(8) -0.0037(9)<br />
C25 0.0279(10) 0.0216(9) 0.0326(10) 0.0045(8)<br />
0.0012(8) 0.0021(9)<br />
C26 0.0246(10) 0.0225(9) 0.0217(9) -0.0013(7)<br />
0.0046(8) 0.0000(8)<br />
_geom_special_details<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 />
O1 C1 1.365(2) . ?<br />
O1 C3 1.456(2) . ?<br />
O2 C6 1.366(2) . ?<br />
O2 C14 1.434(2) . ?<br />
N1 C1 1.269(2) . ?<br />
N1 C2 1.473(2) . ?<br />
C1 C4 1.514(2) . ?<br />
C2 C15 1.511(2) . ?<br />
C2 C3 1.564(2) . ?<br />
301
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