
TY  - JOUR
A1  - Wood, RA 
A1  - James, VJ 
A1  - Rae, AD 
A1  - Stevens, JD 
A1  - Moore, FH 
T1  - The crystal structure of 5-O-Acetyl-1,2 : 3,4-di-O-isopropylidene-&#945;-D-glucoseptanose, C<sub>14</sub>H<sub>22</sub>O<sub>7</sub>, by use of X-ray and neutrondiffraction data
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 1983
VL  - 36
IS  - 11
SP  - 2269
EP  - 2277
KW  - 
UR  - https://doi.org/10.1071/CH9832269 
N2  - The crystal structure of 5-O-acetyl-1,2:3,4-di-O-isopropylidene-&#945;-D-glucoseptanose [P212121, Z 8, a 14.329(5), b 22.075(5), c 10.012(5) Å] has been determined by X-ray and neutron diffraction analyses. For the neutron diffraction analysis, the acetate group and the trans-O-isopropylidene group were deuterated. Constrained refinement was used in the neutron diffraction analysis to counter over parameterization in the block-diagonal least-squares refinement. Final unweighted R-values were 0.038 [X-ray for 3070 reflections with [Fo > 2.58&#963; (Fo)] and 0.061 [neutron for 1118 reflections with Fo > 4&#963; ([Fo)]The neutron refinement revealed a disordering of the acetate methyl group in each of the two independent molecules in the asymmetric unit. The septanose ring in each molecule adopted the same twist-chair conformation but the dioxolan rings assumed different twist and envelope conformations. 
ER  -

