6,7-cis-7,8-trans-3,3-Dimethyl-7-(5,5-dimethyl-3-oxo-1-cyclohexenyl)-6,8-diphenyl-1,2,3,4,5,6,7,8-octahydronaphthalen-1-one
✍ Scribed by Bates, Robert B. ;Bhatwadekar, S. V. ;Crane, Zackary D. ;Dicus, Christopher W. ;Paknikar, S. K. ;Selby, Hugh D. ;Sufi, Bilal A.
- Publisher
- International Union of Crystallography
- Year
- 2001
- Tongue
- English
- Weight
- 210 KB
- Volume
- 58
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 170 K Mean '(C±C) = 0.004 A Ê Disorder in main residue R factor = 0.047 wR factor = 0.139 Data-to-parameter ratio = 14.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 296 K Mean '(C±C) = 0.002 A Ê R factor = 0.038 wR factor = 0.101 Data-to-parameter ratio = 12.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title molecule, C 52 H 58 N 2 P 2 , has a non-crystallographic twofold axis. The bond lengths and angles are within expected ranges.
The asymmetric unit of (I), showing 30% probability displacement ellipsoids and the atom-numbering scheme. H atoms have been omitted.
The title compound, C 18 H 20 ClNO 2 , has been synthesized by the reaction of 4-chlorobenzaldehyde, Meldrum's acid, dimedone and CH 3 NH 3 Cl(NaOAc) in ethanol under microwave irradiation. The pyridone ring adopts a screw-boat conformation and the cyclohexenone ring an envelope conformation.