Structure of 7-methyl-1(2)a,1(6)a,3(4)a-trihomocubane-1(6)a,3(4)a-dione,star-c12h12o2- a case of enantiomeric and rotational disorder
Data(s) |
1984
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Resumo |
M r = 188.22, monoclinic, P21/n, a = 6.219 (2), b= 10.508 (2), c=7.339 (1)A, t= 107.64 (2) °, V= 457 ,/k 3, Z = 2, D m - - 1.360 (3), D x = 1.366 (2)Mgm -3, ~,(MoKa) = 0.7107/~, #= 0.053 mm -I, F(000) = 200, T= 293 K. Final R = 5.8% for 614 significant reflections. The molecule, which does not possess a centre of symmetry, occupies a crystallographic centre of symmetry because of the statistical enantiomeric and rotational disorder. Latticeenergy calculations, based on van der Waals attractive and repulsive potentials, clearly show minima at the observed disordered positions. |
Formato |
application/pdf |
Identificador |
http://eprints.iisc.ernet.in/20719/1/a23884.pdf Murthy, GS and Venkatesan, K (1984) Structure of 7-methyl-1(2)a,1(6)a,3(4)a-trihomocubane-1(6)a,3(4)a-dione,star-c12h12o2- a case of enantiomeric and rotational disorder. In: Acta crystallographica section c-crystal structure communications, 40 (Sep). pp. 1581-1584. |
Publicador |
International Union of Crystallography |
Relação |
http://journals.iucr.org/c/issues/1984/09/00/issconts.html http://eprints.iisc.ernet.in/20719/ |
Palavras-Chave | #Organic Chemistry |
Tipo |
Journal Article PeerReviewed |