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Volumn 42, Issue 18, 2003, Pages 2029-2032

Solving larger molecular crystal structures from powder diffraction data by exploiting anisotropic thermal expansion

Author keywords

Hydrogen bonds; Powder diffraction; Structure elucidation; Synchroton radiation; X ray diffraction

Indexed keywords

ANISOTROPY; CRYSTAL STRUCTURE; DIFFRACTION; SINGLE CRYSTALS; THERMAL EXPANSION;

EID: 0038025754     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200250607     Document Type: Article
Times cited : (48)

References (37)
  • 1
    • 84921552589 scopus 로고    scopus 로고
    • (Eds.: W. I. F. David, K. Shankland, L. B. McCusker, C. Baerlocher), Oxford University Press, Oxford
    • a) Structure Determination from Powder diffraction Data (Eds.: W. I. F. David, K. Shankland, L. B. McCusker, C. Baerlocher), Oxford University Press, Oxford, 2002;
    • (2002) Structure Determination from Powder Diffraction Data
  • 3
    • 0035805105 scopus 로고    scopus 로고
    • b) K. D. M. Harris, M. Tremayne, B. M. Kariuki, Angew. Chem. 2001, 113, 1674-1700; Angew. Chem. Int. Ed. 2001, 40, 1626-1651.
    • (2001) Angew. Chem. Int. Ed. , vol.40 , pp. 1626-1651
  • 13
  • 23
    • 0038601920 scopus 로고    scopus 로고
    • note
    • 3 indicates 32 molecules in the cell. Systematic absences of diffraction lines showed that the space group is Pbca and therefore there are four independent molecules to be found, comprising 48 non-hydrogen atoms. Attempts to solve the structure by direct methods failed.
  • 27
    • 0032544492 scopus 로고    scopus 로고
    • K. D. K. Knudsen, P. P. Pattison, A. N. Fitch, R. J. Cernik, Angew. Chem. 1998, 110, 2474-2478; Angew. Chem. Int. Ed. 1998, 37, 2340-2343.
    • (1998) Angew. Chem. Int. Ed. , vol.37 , pp. 2340-2343
  • 29
    • 0038601919 scopus 로고    scopus 로고
    • unpublished results
    • a) J. P. Wright, unpublished results;
    • Wright, J.P.1
  • 32
    • 0038263125 scopus 로고    scopus 로고
    • note
    • Accounting for the variation of the overall thermal factor with temperature was not necessary to obtain comparable Pawley fits at each temperature and a set of intensities that was good enough to solve the structure. The uncertainty in peak intensity introduced by neglecting this factor is small compared to the uncertainty resulting from peak overlap in a single pattern.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.