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Volumn 120, Issue 41, 1998, Pages 10715-10720

Conformational study of cyclodecane and substituted cyclodecanes by dynamic NMR spectroscopy and computational methods

Author keywords

[No Author keywords available]

Indexed keywords

CYCLODECANE; DECANE; UNCLASSIFIED DRUG;

EID: 0032556232     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja973116c     Document Type: Article
Times cited : (28)

References (41)
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    • (1968) Perspectives in Structural Chemistry , vol.2
    • Dunitz, J.D.1
  • 2
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    • American Chemical Society: Washington, DC
    • Summaries of work in this area include (a) Dunitz, J. D. In Perspectives in Structural Chemistry; Dunitz, J. D., Ibers, J. A., Ed.; Wiley: New York, 1968; Vol. II. (b) Burkert, V.; Allinger, N. L. Molecular Mechanics; American Chemical Society: Washington, DC, 1982; pp 105, 106. (c) Dale, J. Stereochemistry and Conformational Analysis; Verlag Chemie: New York, 1978, pp 50, 207-213.
    • (1982) Molecular Mechanics , pp. 105
    • Burkert, V.1    Allinger, N.L.2
  • 3
    • 0004069354 scopus 로고
    • Verlag Chemie: New York
    • Summaries of work in this area include (a) Dunitz, J. D. In Perspectives in Structural Chemistry; Dunitz, J. D., Ibers, J. A., Ed.; Wiley: New York, 1968; Vol. II. (b) Burkert, V.; Allinger, N. L. Molecular Mechanics; American Chemical Society: Washington, DC, 1982; pp 105, 106. (c) Dale, J. Stereochemistry and Conformational Analysis; Verlag Chemie: New York, 1978, pp 50, 207-213.
    • (1978) Stereochemistry and Conformational Analysis , pp. 50
    • Dale, J.1
  • 4
    • 3643074731 scopus 로고
    • Doctoral Thesis, Universitat Freiburg, West Germany
    • (a) Drotloff, H.-O., Doctoral Thesis, Universitat Freiburg, West Germany, 1987.
    • (1987)
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  • 11
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    • Reference Ib, p 106
    • Reference Ib, p 106.
  • 18
    • 3643084072 scopus 로고    scopus 로고
    • Reference 1c, pp 50 and 208. On p 50, the ratio is given as 4:2:2
    • Reference 1c, pp 50 and 208. On p 50, the ratio is given as 4:2:2.
  • 19
    • 84986519245 scopus 로고
    • Saunders: M. J. Comput. Chem. 1991, 12, 645. Free energies for several conformations have been calculated recently: Senderowitz, H.; Guarnieri, F.; Still, W. C. J. Am. Chem. Soc. 1995, 117, 8211.
    • (1991) J. Comput. Chem. , vol.12 , pp. 645
    • Saunders, M.1
  • 20
    • 0000167458 scopus 로고
    • Saunders: M. J. Comput. Chem. 1991, 12, 645. Free energies for several conformations have been calculated recently: Senderowitz, H.; Guarnieri, F.; Still, W. C. J. Am. Chem. Soc. 1995, 117, 8211.
    • (1995) J. Am. Chem. Soc. , vol.117 , pp. 8211
    • Senderowitz, H.1    Guarnieri, F.2    Still, W.C.3
  • 25
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    • 1: Traficante, D. D. Concepts Magn. Reson. 1992, 4, 153. See also: Traficante, D. D.; Steward, L. R. Concepts Magn. Reson. 1994, 6, 131.
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    • Spartan version 3.0 from Wavefunction, Inc., Irvine, CA
    • Spartan version 3.0 from Wavefunction, Inc., Irvine, CA.
  • 29
    • 3643132969 scopus 로고    scopus 로고
    • note
    • Version MM3 (94) was used. The latest version of the MM3 program, which is referred to as MM3 (96), is available to academic users from the Quantum Chemistry Program Exchange and to commercial users from Tripos Associates, 1699 South Hanley St., St. Louis, MO 63144.
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    • + groups (3e or 2a): (a) Huber-Buser, E.; Dunitz, J. D. Helv. Chim. Acta 1960, 43, 760. (b) Huber-Buser, E.; Dunitz, J. D. Helv. Chim. Acta 1961, 44, 2027. (c) Huber-Buser, E.; Dunitz, J. D. Helv. Chim. Acta 1966, 49, 1821.
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    • Huber-Buser, E.1    Dunitz, J.D.2
  • 36
    • 3643120502 scopus 로고
    • + groups (3e or 2a): (a) Huber-Buser, E.; Dunitz, J. D. Helv. Chim. Acta 1960, 43, 760. (b) Huber-Buser, E.; Dunitz, J. D. Helv. Chim. Acta 1961, 44, 2027. (c) Huber-Buser, E.; Dunitz, J. D. Helv. Chim. Acta 1966, 49, 1821.
    • (1961) Helv. Chim. Acta , vol.44 , pp. 2027
    • Huber-Buser, E.1    Dunitz, J.D.2
  • 37
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    • + groups (3e or 2a): (a) Huber-Buser, E.; Dunitz, J. D. Helv. Chim. Acta 1960, 43, 760. (b) Huber-Buser, E.; Dunitz, J. D. Helv. Chim. Acta 1961, 44, 2027. (c) Huber-Buser, E.; Dunitz, J. D. Helv. Chim. Acta 1966, 49, 1821.
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    • Huber-Buser, E.1    Dunitz, J.D.2
  • 39
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    • note
    • The OH groups of trans-1,6-cyclodecanediol in a 2:1 molecular compound with cis-1,6-cyclodecanediol are in the 2e positions: ref 11.
  • 40
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    • trans-1,6-Cyclodecanediol: (a) Ermer, O.; Dunitz, J. D. Chem. Commun. 1971, 178. (b) Ermer, O.; Dunitz, J. D.; Bernai, I. Acta Crystallogr. 1973, B29, 2278.
    • (1971) Chem. Commun. , pp. 178
    • Ermer, O.1    Dunitz, J.D.2
  • 41
    • 0343355991 scopus 로고
    • trans-1,6-Cyclodecanediol: (a) Ermer, O.; Dunitz, J. D. Chem. Commun. 1971, 178. (b) Ermer, O.; Dunitz, J. D.; Bernai, I. Acta Crystallogr. 1973, B29, 2278.
    • (1973) Acta Crystallogr. , vol.B29 , pp. 2278
    • Ermer, O.1    Dunitz, J.D.2    Bernai, I.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.