Pure and Applied Chemistry, 2010, Volume 82, No. 4, pp. 891-904, References

Pure Appl. Chem., 2010, Vol. 82, No. 4, pp. 891-904

http://dx.doi.org/10.1351/PAC-CON-09-09-04

Published online 2010-03-13

Toward carbyne: Synthesis and stability of really long polyynes

Rik R. Tykwinski^1,2*, Wesley Chalifoux¹, Sara Eisler³, Andrea Lucotti⁴, Matteo Tommasini⁴, Daniele Fazzi⁵, Mirella Del Zoppo⁴ and Giuseppe Zerbi⁴

¹ Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2, Canada
² Institute for Organic Chemistry, Friedrich-Alexander-University, Erlangen‑Nürnberg, Henkestrasse 42, 91054 Erlangen, Germany
³ Department of Chemistry, University of New Brunswick, Fredericton, New Brunswick, E3B 5A3, Canada
⁴ Department of Chemistry, Materials and Chemical Engineering “G. Natta”, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milan, Italy
⁵ Center for NanoScience and Technology CNST IIT@PoliMi, via Pascoli 70/3, 20133 Milan, Italy

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70. T. Luu, E. Elliott, A. D. Slepkov, S. Eisler, R. McDonald, F. A. Hegmann, R. R. Tykwinski. Org. Lett. 7, 51 (2005). (http://dx.doi.org/10.1021/ol047931q)
71. Crystallographic data for Tr*[4] (C₉₄H₁₂₆_0.5C₄H₁₀O), M_W = 1293.01; monoclinic crystal system; space group P2₁/n (an alternate setting of P2₁/c [No. 14]); a = 28.705(9), b = 10.621(3), c = 29.280(9) Å; β = 92.763(4)º; V = 8916(5) Å³; Z = 4; ρ_calcd = 0.963 g cm^–3; μ = 0.054 mm^–1; ? = 0.71 073 Å; T = –100 °C; 2θmax = 50.50º; total data collected = 61 984; R₁ = 0.0584 for 16 159 observed reflections with [F_o^₂ ≥ –2σ(F_o^₂)]; wR₂ = 0.1699 for 962 variables and 16 159 unique reflections with [F_o^₂ ≥ –3σ(F_o^₂)], and 14 restraints [The disordered diethylether solvent molecules had the following distance restraints applied: O–C restrained to be 1.430(2) Å; C–C, 1.530(2) Å; C···C, 2.340(4) Å; O···C, 2.420(4) Å]; residual electron density = 0.376 and –0.297 e Å^–3.
72. CCDC Nos: 745804 (Ph[4]), 729158 (tBu[4]), 660940 (Ad[4]), 265860 (TIPS[4]), and 745805 (Tr*[4]).

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