Cargando…
Redetermination and absolute configuration of berkeleydione
The crystal structure of the title compound, berkeleydione [systematic name; (5aS,7R,9S,11R,11aS)-methyl 9-hydroxy-1,1,5,7,9,11a-hexamethyl-14-methylidene-3,8,10-trioxo-1,3,4,5a,6,7,8,9,10,11,11a,12-dodecahydro-7,11-methanocycloocta[4,5]cyclohepta[1,2-c]pyran-11-carboxylate], C(26)H(32)O(7)...
Autores principales: | , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4438833/ https://www.ncbi.nlm.nih.gov/pubmed/26029438 http://dx.doi.org/10.1107/S2056989015003965 |
_version_ | 1782372399388295168 |
---|---|
author | Stierle, Andrea Stierle, Donald Decato, Daniel |
author_facet | Stierle, Andrea Stierle, Donald Decato, Daniel |
author_sort | Stierle, Andrea |
collection | PubMed |
description | The crystal structure of the title compound, berkeleydione [systematic name; (5aS,7R,9S,11R,11aS)-methyl 9-hydroxy-1,1,5,7,9,11a-hexamethyl-14-methylidene-3,8,10-trioxo-1,3,4,5a,6,7,8,9,10,11,11a,12-dodecahydro-7,11-methanocycloocta[4,5]cyclohepta[1,2-c]pyran-11-carboxylate], C(26)H(32)O(7), has been reported previously [Stierle et al. (2004 ▸). Org. Lett. 6, 1049–1052]. However, the absolute configuration could not be determined from the data collected with Mo Kα radiation and has now been determined by refinement of the Flack parameter with data collected using Cu Kα radiation. It is in agreement with the previous circular dichroism assignment, and the crystal packing is similar to that described previously. |
format | Online Article Text |
id | pubmed-4438833 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-44388332015-05-30 Redetermination and absolute configuration of berkeleydione Stierle, Andrea Stierle, Donald Decato, Daniel Acta Crystallogr E Crystallogr Commun Data Reports The crystal structure of the title compound, berkeleydione [systematic name; (5aS,7R,9S,11R,11aS)-methyl 9-hydroxy-1,1,5,7,9,11a-hexamethyl-14-methylidene-3,8,10-trioxo-1,3,4,5a,6,7,8,9,10,11,11a,12-dodecahydro-7,11-methanocycloocta[4,5]cyclohepta[1,2-c]pyran-11-carboxylate], C(26)H(32)O(7), has been reported previously [Stierle et al. (2004 ▸). Org. Lett. 6, 1049–1052]. However, the absolute configuration could not be determined from the data collected with Mo Kα radiation and has now been determined by refinement of the Flack parameter with data collected using Cu Kα radiation. It is in agreement with the previous circular dichroism assignment, and the crystal packing is similar to that described previously. International Union of Crystallography 2015-03-21 /pmc/articles/PMC4438833/ /pubmed/26029438 http://dx.doi.org/10.1107/S2056989015003965 Text en © Stierle et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Data Reports Stierle, Andrea Stierle, Donald Decato, Daniel Redetermination and absolute configuration of berkeleydione |
title | Redetermination and absolute configuration of berkeleydione |
title_full | Redetermination and absolute configuration of berkeleydione |
title_fullStr | Redetermination and absolute configuration of berkeleydione |
title_full_unstemmed | Redetermination and absolute configuration of berkeleydione |
title_short | Redetermination and absolute configuration of berkeleydione |
title_sort | redetermination and absolute configuration of berkeleydione |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4438833/ https://www.ncbi.nlm.nih.gov/pubmed/26029438 http://dx.doi.org/10.1107/S2056989015003965 |
work_keys_str_mv | AT stierleandrea redeterminationandabsoluteconfigurationofberkeleydione AT stierledonald redeterminationandabsoluteconfigurationofberkeleydione AT decatodaniel redeterminationandabsoluteconfigurationofberkeleydione |