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(4aS,4bR,7R,10aS)-3,7-Dimethyl-10a-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-decahydrophenanthrene-1,4-dione
In the title compound, C(19)H(26)O(2), the A ring adopts a chair conformation, whereas the B and C rings both adopt distorted half-chair conformations with the quaternary C atom common to both rings lying 0.577 (3) and 0.648 (3) Å out of the approximate plane defined by the remaining five C atoms (r...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2011
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238859/ https://www.ncbi.nlm.nih.gov/pubmed/22199712 http://dx.doi.org/10.1107/S160053681104517X |
| _version_ | 1782219070976819200 |
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| author | Caracelli, Ignez Zukerman-Schpector, Julio Machado, André T. Lousada Brocksom, Timothy J. Ferreira, M. Lúcia Tiekink, Edward R. T. |
| author_facet | Caracelli, Ignez Zukerman-Schpector, Julio Machado, André T. Lousada Brocksom, Timothy J. Ferreira, M. Lúcia Tiekink, Edward R. T. |
| author_sort | Caracelli, Ignez |
| collection | PubMed |
| description | In the title compound, C(19)H(26)O(2), the A ring adopts a chair conformation, whereas the B and C rings both adopt distorted half-chair conformations with the quaternary C atom common to both rings lying 0.577 (3) and 0.648 (3) Å out of the approximate plane defined by the remaining five C atoms (r.m.s. deviations = 0.1386 and 0.1156 Å) for the B and C rings, respectively. Molecules are assembled in the crystal through C—H⋯O interactions involving both carbonyl O atoms, which lead to supramolecular chains aligned along the b axis. |
| format | Online Article Text |
| id | pubmed-3238859 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2011 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-32388592011-12-23 (4aS,4bR,7R,10aS)-3,7-Dimethyl-10a-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-decahydrophenanthrene-1,4-dione Caracelli, Ignez Zukerman-Schpector, Julio Machado, André T. Lousada Brocksom, Timothy J. Ferreira, M. Lúcia Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(19)H(26)O(2), the A ring adopts a chair conformation, whereas the B and C rings both adopt distorted half-chair conformations with the quaternary C atom common to both rings lying 0.577 (3) and 0.648 (3) Å out of the approximate plane defined by the remaining five C atoms (r.m.s. deviations = 0.1386 and 0.1156 Å) for the B and C rings, respectively. Molecules are assembled in the crystal through C—H⋯O interactions involving both carbonyl O atoms, which lead to supramolecular chains aligned along the b axis. International Union of Crystallography 2011-11-05 /pmc/articles/PMC3238859/ /pubmed/22199712 http://dx.doi.org/10.1107/S160053681104517X Text en © Caracelli et al. 2011 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 | Organic Papers Caracelli, Ignez Zukerman-Schpector, Julio Machado, André T. Lousada Brocksom, Timothy J. Ferreira, M. Lúcia Tiekink, Edward R. T. (4aS,4bR,7R,10aS)-3,7-Dimethyl-10a-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-decahydrophenanthrene-1,4-dione |
| title | (4aS,4bR,7R,10aS)-3,7-Dimethyl-10a-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-decahydrophenanthrene-1,4-dione |
| title_full | (4aS,4bR,7R,10aS)-3,7-Dimethyl-10a-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-decahydrophenanthrene-1,4-dione |
| title_fullStr | (4aS,4bR,7R,10aS)-3,7-Dimethyl-10a-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-decahydrophenanthrene-1,4-dione |
| title_full_unstemmed | (4aS,4bR,7R,10aS)-3,7-Dimethyl-10a-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-decahydrophenanthrene-1,4-dione |
| title_short | (4aS,4bR,7R,10aS)-3,7-Dimethyl-10a-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-decahydrophenanthrene-1,4-dione |
| title_sort | (4as,4br,7r,10as)-3,7-dimethyl-10a-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-decahydrophenanthrene-1,4-dione |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238859/ https://www.ncbi.nlm.nih.gov/pubmed/22199712 http://dx.doi.org/10.1107/S160053681104517X |
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