The crystal structures and phase behaviour of cyclohexene oxide

Richard M. Ibberson; Osamu Yamamuro; Itaru Tsukushi

doi:10.1016/j.cplett.2006.04.004

The crystal structures and phase behaviour of cyclohexene oxide

Richard M. Ibberson
, Osamu Yamamuro
, Itaru Tsukushi

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	454-458
Number of pages	5
Journal	Chemical Physics Letters
Volume	423
Issue number	4-6
DOIs	https://doi.org/10.1016/j.cplett.2006.04.004
State	Published - Jun 1 2006
Externally published	Yes

Access to Document

10.1016/j.cplett.2006.04.004

Cite this

@article{24112ea00c0040fda6e7f358d38712a5,

title = "The crystal structures and phase behaviour of cyclohexene oxide",

abstract = "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 {\AA}3. 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.",

author = "Ibberson, \{Richard M.\} and Osamu Yamamuro and Itaru Tsukushi",

year = "2006",

month = jun,

day = "1",

doi = "10.1016/j.cplett.2006.04.004",

language = "English",

volume = "423",

pages = "454--458",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier",

number = "4-6",

}

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 - https://www.scopus.com/pages/publications/33646722131

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 -

The crystal structures and phase behaviour of cyclohexene oxide

Abstract

Access to Document

Other files and links

Fingerprint

Cite this