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2O (0.18 g, 0.50 mmol) instead of BuSnO(OH). Colorless crystals of compound 2 were collected with 35% yield (based on Sn).
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2O (0.18 g, 0.50 mmol) instead of BuSnO(OH). Colorless crystals of compound 2 were collected with 35% yield (based on Sn).
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43149122599
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13e Non-H atoms were refined anisotropically. Selected bond lengths and bond angles are given in Table S1 in the Supporting Information,
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13e Non-H atoms were refined anisotropically. Selected bond lengths and bond angles are given in Table S1 in the Supporting Information,
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43149103542
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Crystal data for 1: hexagonal, space group P6 3, Mr, 3652.27, a, 20.300(19) Å, b, 20.300 Å, c, 27.112(3) Å, α, 90°, β, 90°, γ, 120°, V, 9675.7(13) Å3, Z, 2, μ, 0.356 mm-1, Dc, 1.254 Mg m-3, F(000, 3816, T, 293(2) K, 61 355 reflections collected, 15 253 unique with Rint, 0.0476, R1, 0.0524, wR2, 0.1340 [I > 2σ(I, GOF, 1.005. Crystal data for 2: trigonal, space group R3, Mr, 3634.26, a, 19.9000(11) Å, b, 19.9000(11) Å, c, 43.051(1) Å, α, 90°, β, 90°, γ, 120°, V, 14764.5(12) Å3, Z, 3, μ, 0.350 mm-1, Dc, 1.226 Mg m-3, F000, 5694, T
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int = 0.0352, R1 = 0.0595, wR2 = 0.1472 [I > 2σ(I)], GOF = 1.016. The data were corrected for absorption by the multiscan.
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The channel dimensions are estimated from the van der Waals radii for carbon (1.70 Å), nitrogen (1.55 Å), and oxygen (1.52 Å) in the analysis.
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The channel dimensions are estimated from the van der Waals radii for carbon (1.70 Å), nitrogen (1.55 Å), and oxygen (1.52 Å) in the analysis.
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Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian98, revision A.7; Gaussian Inc.: Pittsburgh, PA, 1998.
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