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1992 (1)
1Author    Gerhard Hägele, Peter Reinemer3, Michael Batzb, DietrichM. OotzRequires cookie*
 Title    Kristallstruktur und molekulare Dynamik eines  
 Abstract    Stereoisomeren von (P,P,P",P"-Tetraphenyl)-l,l,2,2-ethan-tetrakisphosphinsäuretetraisopropylester Crystal Structure and M olecular Dynamics of a Stereoisomer of (P,P',P",P'"-Tetraphenyl)-l,l,2,2-ethane-tetraphosphinic Acid Tetraisopropylester The crystal and molecular structure o f (P,P',P",P"'-tetraphenyl)-1,1,2,2-ethane-tetraphos-phinic acid tetraisopropylester has been determined from single-crystal M oK a diffractometer data. The crystals are monoclinic with space group C2/c, Z = 4, a = 2054.5(9), b = 1189.8(5), c = 1800.8(8) pm, ß = 110.07(3)°. The structure was solved by direct methods and refined to R -0.046. A 250 ps-vacuo-trajectory was calculated using the Molecular Dynamics program G R O M O S. Structural data and M D results are compared to N M R spectroscopic data. A Karplus-type relation was confirmed for coupling constants 3ypp. 
  Reference    Z. Naturforsch. 47b, 725—7 (1992); eingegangen am 31. Juli 1991 
  Published    1992 
  Keywords    Crystal Structure, Conformation, Configuration, M D Analysis, N M R Spectra 
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 TEI-XML for    default:Reihe_B/47/ZNB-1992-47b-0725.pdf 
 Identifier    ZNB-1992-47b-0725 
 Volume    47