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Volumn 36, Issue 17, 1997, Pages 3666-3675

Cis Effects in the Cobalt Corrins. 1. Crystal Structures of 10-Chloroaquacobalamin Perchlorate, 10-Chlorocyanocobalamin, and 10-Chloromethylcobalamin

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EID: 0000094059     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic9615077     Document Type: Article
Times cited : (64)

References (90)
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    • Dolphin, D., Ed.; Wiley: New York
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    • (1982) 12 , vol.1 , pp. 23
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    • Ph.D. Thesis, Oxford University; quoted in ref 45
    • Edmond, E. D. Ph.D. Thesis, Oxford University, 1970; quoted in ref 45.
    • (1970)
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    • note
    • 27 are used as a model for the minor conformation of 10Cl-CNCbl, those of CNCbl itself are used as a model for the major conformation, and solution populations of the conformers are assumed equal to the site occupancies of 10-Cl-CNCbl in the solid state, then, assuming chemical shift averaging, the calculated chemical shifts for C46 (31.25 ppm) and C47 (24.23 ppm) are remarkably close to those observed for 10-Cl-CNCbl (31.58 and 24.70 ppm. respectively) and the calculated difference in chemical shift between C46 and C47 (7.0 ppm) is essentially the same as the observed difference (6.9 ppm). These simple calculations suggest that CN- 13-epi-Cbl is indeed a good model for the minor conformation seen in the solid state for the 10Cl-XCbl's, and that the C ring does undergo a rapid conformational equilibrium in the 10-Cl-XCbl's in solution.
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    • 12; Academic Press: London, 1972.
    • (1972) 12
    • Pratt, J.M.1
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    • Lipkowski, K. B., Boyd, D. B., Eds.; VCH Publishers; New York
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    • (1994) Reviews in Computational Chemistry , vol.5 , pp. 171
    • Bachrach, S.M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.