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0001724970
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0033963566
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The cyclic planar; See
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12
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0036000421
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The chair conformation; See
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21
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34948838597
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1·2H2O: Anal. Calcdfor C5H 5N3O3: C, 37.26; H, 6.88; N, 26.07, Found: C, 37.31; H, 6.82; N, 26.14, Crystal data: C5H11N 3O3, Mτ, 161.16, triclinic, P1 (no. 2, a, 4.9585(3, b, 7.5475(4, c, 10.443(1) Å. α, 83.622(4, β= 87.979(3, γ, 84.641(2, U, 386.58(5) Å3, Z, 2, 113 K, Dcalcd, 1.384g cm-3 μ (MoKα, 1.14cm-1, 2θmax, 55.0°, 3422 reflections collected of which 1707 were unique, 152 parameters, GOF, 1.83, R1, 0.039 (I > 2(σ)I, wR2, 0.121 (I > 2(σ)I, CCDC 615777
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2 = 0.121 (I > 2(σ)I). CCDC 615777.
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22
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34948903996
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Supporting Information is available electronically on the CSJ-Journal Web site, http://www.csj.jp/journals/chem-lett/index.html.
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Supporting Information is available electronically on the CSJ-Journal Web site, http://www.csj.jp/journals/chem-lett/index.html.
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34948824085
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14 the observed motif is classified as L6(6)6(6). Professor M. Mascal searched for this class of water aggregates in the CSD and found eleven matches. CSD refcodes are as follows; BIKVIA10, BUSJII, ECOVAT, EKETET, FUMVIS, HOSHIG, IMIPID, SUGBAX01, WINGBIG, ZUXBUP, and ZUXBUP01. However, the observed conformations of the water hexamer are different from all eleven structures.
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14 the observed motif is classified as L6(6)6(6). Professor M. Mascal searched for this class of water aggregates in the CSD and found eleven matches. CSD refcodes are as follows; BIKVIA10, BUSJII, ECOVAT, EKETET, FUMVIS, HOSHIG, IMIPID, SUGBAX01, WINGBIG, ZUXBUP, and ZUXBUP01. However, the observed conformations of the water hexamer are different from all eleven structures.
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24
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M. Mascal. L. Infantes, J. Chisholm, Angew. Chem., Int. Ed. 2006, 45, 32.
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Angew. Chem., Int. Ed
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Mascal, M.1
Infantes, L.2
Chisholm, J.3
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