Murthy, G. S. ; Venkatesan, K. (1984) Structure of 7-methyl-1(2)a,1(6)a,3(4)a-trihomocubane-1(6)a,3(4)a-dione, C12H12O2. A case of enantiomeric and rotational disorder Acta Crystallographica Section C, 40 (9). pp. 1581-1584. ISSN 0108-2701
Full text not available from this repository.
Official URL: http://scripts.iucr.org/cgi-bin/paper?S01082701840...
Related URL: http://dx.doi.org/10.1107/S0108270184008787
Abstract
Mr=188.22, monoclinic, P21/n, a=6.219 (2), b=10.508 (2), c=7.339 (1) Å, β=107.64 (2)°, V=457 Å3, Z=2, Dm=1.360 (3), Dx =1.366 (2)Mg m-3, λ(Mo Kα)=0.7107 Å, μ=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.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to International Union of Crystallography. |
| ID Code: | 66635 |
| Deposited On: | 27 Oct 2011 04:09 |
| Last Modified: | 27 Oct 2011 04:09 |
Repository Staff Only: item control page
