| dc.contributor.author |
Mentzafos, D |
en |
| dc.contributor.author |
Mavridis, IM |
en |
| dc.contributor.author |
Yannakopoulou, K |
en |
| dc.date.accessioned |
2014-06-06T06:43:50Z |
|
| dc.date.available |
2014-06-06T06:43:50Z |
|
| dc.date.issued |
1999 |
en |
| dc.identifier.issn |
0923-0750 |
en |
| dc.identifier.uri |
http://62.217.125.90/xmlui/handle/123456789/1486 |
|
| dc.subject |
crystal structure |
en |
| dc.subject |
hexakis(2,3,6-tri-O-methyl)-alpha-cyclodextrin |
en |
| dc.subject |
(R)-(-)-1,7-dioxaspiro[5.5]undecane |
en |
| dc.subject |
chiral recognition |
en |
| dc.subject.classification |
Chemistry, Multidisciplinary |
en |
| dc.subject.classification |
Crystallography |
en |
| dc.subject.other |
CHIRAL RECOGNITION |
en |
| dc.subject.other |
CRYSTAL-STRUCTURES |
en |
| dc.subject.other |
BETA-CYCLODEXTRIN |
en |
| dc.subject.other |
GEOMETRY |
en |
| dc.title |
Structure of the 1 : 1 complex of hexakis (2,3,6-tri-O-methyl) alpha-cyclodextrin with (R)-(-)-1,7-dioxaspiro[5.5]undecane |
en |
| heal.type |
journalArticle |
en |
| heal.language |
English |
en |
| heal.publicationDate |
1999 |
en |
| heal.abstract |
The crystal structure of the 1 : 1 inclusion complex of hexakis(2,3,6-tri-O-methyl)-alpha-cyclodextrin (TM alpha CD) with 1,7-dioxaspiro[5.5]undecane (spiroacetal) is orthorhombic, space group C222(1), with a = 24.002(2), b = 14.812(1), c = 21.792(2) Angstrom, V = 7747.3(11) Angstrom(3) and Z = 8. The molecular six-fold axis of TM alpha CD coincides with the a two-fold crystallographic axis and the guest is located at the secondary methoxy group side, disordered over two positions related by that axis. The guest model used during the refinement is that of the (R)-enantiomer alone because trials to either refine a 1 : 1 mixture of (R)- and (S)-enantiomers or the (S)-enantiomer alone failed. The crystallographic evidence of enantioselectivity towards the (R)-enantiomer of spiroacetal was confirmed by independent experiments and may be attributed to numerous non bonding interactions between host and guest involving non conventional H-bonds. |
en |
| heal.publisher |
KLUWER ACADEMIC PUBL |
en |
| heal.journalName |
JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY |
en |
| dc.identifier.issue |
3 |
en |
| dc.identifier.volume |
33 |
en |
| dc.identifier.isi |
ISI:000080611300008 |
en |
| dc.identifier.spage |
321 |
en |
| dc.identifier.epage |
330 |
en |