Abstract
The title molecule, C60H70N2O4Si8, lies on an inversion center. In the asymmetric unit, one of the phenyl rings is disordered over two sets of sites with refined occupancies 0.58 (2) and 0.42 (2). In addition, in two substitution sites of the terminal dimethyl(vinyl)silyl unit, a methyl group and the vinyl group are disordered over the same site with refined occupancies 0.523 (13) and 0.477 (13).
Highlights
One of the phenyl rings is disordered over two sets of sites with refined occupancies 0.58 (2) and
In two substitution sites of the terminal dimethyl(vinyl)silyl unit, a methyl group and the vinyl group are disordered over the same site with refined occupancies
R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger
Summary
Key indicators: single-crystal X-ray study; T = 173 K; mean (C–C) = 0.006 Å; disorder in main residue; R factor = 0.072; wR factor = 0.169; data-to-parameter ratio = 16.3. The title molecule, C60H70N2O4Si8, lies on an inversion center. One of the phenyl rings is disordered over two sets of sites with refined occupancies 0.58 (2) and. In two substitution sites of the terminal dimethyl(vinyl)silyl unit, a methyl group and the vinyl group are disordered over the same site with refined occupancies. Data collection: CrystalClear (Rigaku, 2007); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXL97
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have