Crystal structure of poly(octamethylene terephthalate) determined by X-ray fiber diffraction and molecular modeling

2008 ◽  
Vol 47 (3) ◽  
pp. 276-283 ◽  
Author(s):  
Young Gyu Jeong ◽  
Sang Cheol Lee ◽  
Kyusoon Shin
Keyword(s):  
Crystal Structure ◽  
Molecular Modeling ◽  
X Ray ◽  
Fiber Diffraction

Structure Analysis of a Rodlike Macromolecule: Poly(2,2'-(p,p'-Biphenyl)−6,6'-bis(4-Phenylquinoline))

1988 ◽  
Vol 134 ◽  
Author(s):  
Craig W. Burkhart ◽  
Jerome B. Lando ◽  
John K. Stille
Keyword(s):  
Crystal Structure ◽  
Structure Analysis ◽  
Molecular Packing ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
X Ray ◽  
Fiber Diffraction ◽  
Herringbone Structure ◽  
Packing Analysis

ABSTRACTUniaxially oriented, crystalline fibers of poly(2,2'-(p,p'-biphenyl)- 6,6'-bis(4-phenylquinoline)) [PBPQ], were subjected to structure analysis via x-ray diffraction and molecular packing analysis. Packing analysis was required due to the sparse and diffuse nature of the fiber diffraction photographs. The combination of the two techniques allowed us to resolve the crystal structure. PBPQ packs in a syn conformation, in a modified herringbone structure. It has a unit cell of a = 16.2Å, b = 5.31Å, c = 21.4Å. There are two independent chains in the unit cell. An overview of the refinement of the crystal structure, the packing analysis and the crystallography are presented.

Characterization of d-glucaric acid using NMR, X-ray crystal structure, and mm3 molecular modeling analyses

2011 ◽  
Vol 346 (16) ◽  
pp. 2551-2557 ◽  
Author(s):  
Travis T. Denton ◽  
Kenneth I. Hardcastle ◽  
Michael K. Dowd ◽  
Donald E. Kiely
Keyword(s):  
Crystal Structure ◽  
Molecular Modeling ◽  
Glucaric Acid ◽  
X Ray

The crystal structure of mono-ethylenediamine β-chitin from synchrotron X-ray fiber diffraction

2013 ◽  
Vol 92 (2) ◽  
pp. 1737-1742 ◽  
Author(s):  
Daisuke Sawada ◽  
Satoshi Kimura ◽  
Yoshiharu Nishiyama ◽  
Paul Langan ◽  
Masahisa Wada
Keyword(s):  
Crystal Structure ◽  
X Ray ◽  
Fiber Diffraction

Molecular Modeling of the Aldose Reductase-Inhibitor Complex Based on the X-ray Crystal Structure and Studies with Single-Site-Directed Mutants

2000 ◽  
Vol 43 (6) ◽  
pp. 1062-1070 ◽  
Author(s):  
Suresh B. Singh ◽  
Michael S. Malamas ◽  
Thomas C. Hohman ◽  
Ramaswamy Nilakantan ◽  
Deborah A. Carper ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Molecular Modeling ◽  
Aldose Reductase ◽  
Reductase Inhibitor ◽  
Aldose Reductase Inhibitor ◽  
Single Site ◽  
X Ray ◽  
Inhibitor Complex
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