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Volumn 67, Issue 22, 2002, Pages 7688-7698

Conformations and threshold rotational mechanisms of C5Ar5 and C5Ar4X molecular propellers: A structure correlation and computational study

Author keywords

[No Author keywords available]

Indexed keywords

THRESHOLD ROTATIONAL MECHANISM;

EID: 0036827530     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo0201272     Document Type: Article
Times cited : (17)

References (72)
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    • note
    • n symmetry, may be invoked) but is implemented for the purpose of the stereochemical arguments advanced by Pepermans and co-workers.
  • 47
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    • Cambridge Crystallographic Data Center University Chemical Laboratory Cambridge England
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    • (2001) CSD, July Release V5.21
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    • note
    • For such purposes, the torsional angles were appropriately adjusted to be less than 90° (where 90° corresponds to the orthogonal conformation of a peripheral ring to the central plane) while still maintaining their sign. Published coordinates refer to an arbitrarily chosen sense of chirality; (180° - dihedral angle) generates the enantiomeric structure.
  • 54
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    • note
    • The symmetry operations of the molecular frame convert a given conformation (or representative point, p(φi,φ)) into a set of equivalent, isometric conformations (or points).
  • 55
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    • note
    • 4) - 3 where μ is the mean, σ is the standard deviation, and N is the number of data points. Kurtosis is based on the size of a distribution's tails, with values corresponding to a high peak (> 0), a flat-topped curve (< 0), or a normal distribution (= 0).
  • 60
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    • note
    • 5 array in one of its crystallographic forms.
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    • note
    • These fragments originate from the bent and linear metallocenes JEDPEN and SUHLEM, respectively.
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    • Among the numerous examples of statically geared systems, hexaisopropylbenzene is probably the most spectacular. See: (a) Arnett, E. M.; Bollinger, J. M. J. Am. Chem. Soc. 1964, 86, 4729-4731. (b) Siegel, J.; Gutiérrez, A.; Schweizer, W. B.; Ermer, O.; Mislow, K. J. Am. Chem. Soc. 1986, 108, 1569-1575. (c) Biali, S. E.; Gutiérrez, A.; Mislow, K. J. Org. Chem. 1988, 53, 1316-1318.
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    • Among the numerous examples of statically geared systems, hexaisopropylbenzene is probably the most spectacular. See: (a) Arnett, E. M.; Bollinger, J. M. J. Am. Chem. Soc. 1964, 86, 4729-4731. (b) Siegel, J.; Gutiérrez, A.; Schweizer, W. B.; Ermer, O.; Mislow, K. J. Am. Chem. Soc. 1986, 108, 1569-1575. (c) Biali, S. E.; Gutiérrez, A.; Mislow, K. J. Org. Chem. 1988, 53, 1316-1318.
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    • Among the numerous examples of statically geared systems, hexaisopropylbenzene is probably the most spectacular. See: (a) Arnett, E. M.; Bollinger, J. M. J. Am. Chem. Soc. 1964, 86, 4729-4731. (b) Siegel, J.; Gutiérrez, A.; Schweizer, W. B.; Ermer, O.; Mislow, K. J. Am. Chem. Soc. 1986, 108, 1569-1575. (c) Biali, S. E.; Gutiérrez, A.; Mislow, K. J. Org. Chem. 1988, 53, 1316-1318.
    • (1988) J. Org. Chem. , vol.53 , pp. 1316-1318
    • Biali, S.E.1    Gutiérrez, A.2    Mislow, K.3


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