TY - JOUR
T1 - The crystal structures and phase behaviour of cyclohexene oxide
AU - Ibberson, Richard M.
AU - Yamamuro, Osamu
AU - Tsukushi, Itaru
PY - 2006/6/1
Y1 - 2006/6/1
N2 - The phase II crystal structure of perdeuterated cyclohexene oxide has been solved from neutron powder diffraction data at 5 K utilising a simulated annealing method. The structure is triclinic, space group P over(1, ̄), with a unit cell volume of 268 Å3. The refined molecular conformation is shown to be in close agreement with recent ab initio calculations. The p-T phase diagram determined using DTA and details of the phase I structure are also reported.
AB - The phase II crystal structure of perdeuterated cyclohexene oxide has been solved from neutron powder diffraction data at 5 K utilising a simulated annealing method. The structure is triclinic, space group P over(1, ̄), with a unit cell volume of 268 Å3. The refined molecular conformation is shown to be in close agreement with recent ab initio calculations. The p-T phase diagram determined using DTA and details of the phase I structure are also reported.
UR - http://www.scopus.com/inward/record.url?scp=33646722131&partnerID=8YFLogxK
U2 - 10.1016/j.cplett.2006.04.004
DO - 10.1016/j.cplett.2006.04.004
M3 - Article
AN - SCOPUS:33646722131
SN - 0009-2614
VL - 423
SP - 454
EP - 458
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 4-6
ER -