In the paper by Zeller, Hunter, Sampson & Chumachenko [Acta Cryst. (2006), E62, o368-o369], the stereochemical descriptors are given incorrectly in the title. The correct title is '(4aSR,7RS,9aSR)-7-tert-Butyl-9a-methyl-5,5-dioxo-1,2,4a,9atetrahydro-8-oxa-5 6 -thiabenzocycloheptan-9-one'.
(4aSR,7SR,9aSR)-7-tert-Butyl-9a-methyl-5,5-dioxo-1,2,4a,9a-tetrahydro-8-oxa-5λ6-thiabenzocycloheptan-9-one
✍ Scribed by Zeller, Matthias ;Hunter, Allen D. ;Sampson, Paul ;Chumachenko, Nataliya
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 191 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The molecular structure of (I), showing 50% probability displacement ellipsoids.
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The molecular structure of (I), showing 50% probability displacement ellipsoids.
In the paper by Zeller, Hunter, Sampson & Chumachenko [Acta Cryst. (2006), E62, o370-o371], the stereochemical descriptors are given incorrectly in the title. The correct title is '(4aRS,7SR,9aRS)-7-tert-Butyl-5,5-dioxo-1,2,4a,9a-tetrahydro-8-oxa-5 6 -thiabenzocycloheptan-9-one'.
In the paper by Zeller, Hunter, Sampson & Chumachenko [Acta Cryst. (2006), E62, o366-o367], the stereochemical descriptors are given incorrectly in the title. The correct title is '(4aRS,7RS,9aSR)-7-tert-Butyl-9a-methyl-5,5-dioxo-1,2,4a,9atetrahydro-8-oxa-5 6 -thiabenzocycloheptan-9-one'.
Single-crystal X-ray study T = 100 K Mean '(C±C) = 0.002 A Ê R factor = 0.038 wR factor = 0.102 Data-to-parameter ratio = 14.5 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.