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39049118380
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76449097367
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note
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2, chloroform/ethyl acetate) to give 2a (108 mg, 83%) as colorless cubes.
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16844363448
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Single crystals of 2a were obtained by recrystallization from hexane. Diffraction data were collected with a Rigaku AFC-8 CCD diffractometer using multi-layer confocal-mirror monochromated and focused MoKα radiation (λ, 0.71073 Å) at 90 K. The structure was solved by direct methods using the program SIR-2004 [Burla, M. C, Caliandro, R, Camalli, M, Carrozzini, B, Cascarano, G. L, De Caro, L, Giacovazzo, C, Polidori, G, Spagna, R, J. Appl. Crystallogr. 2005, 38, 381-388, Refinements were carried out by a least-squares method on F2 using the program shelxl-97 [Sheldrick, G. M. Acta Crystallogr. Sect. A, 2008, 64, 112-122, Crystal data are as follows: C9H12BF2N3O, M, 227.03, tetragonal, space group I41/a, a, 16.380(2, c, 16.240(3) Å, V, 4357.3(11) Å3, Z, 16, Dx, 1.384 Mg m-3, μ, 0.115 mm-1, 3199 unique data, final RF, 0.0390
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2) = 0.0976 for 2827 observed data [I > 2σ(I)]. The crystallographic data have been deposited at the CCDC, 12 Union Road, Cambridge CB2 1EZ, UK (CCDC 755766).
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76449102873
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-6 M for fluorescence measurements.
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76449112061
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note
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The authors thank a referee who pointed out that the data of excited state lifetime will increase the impact of this work. We unfortunately cannot obtain the data soon, because we do not have an instrument for fluorescence lifetime measurement. We would like to measure the data for preparing a full paper.
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Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, J. A, Jr, Vreven, T, Kudin, K. N, Burant, J. C, Millam, J. M, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Klene, M, Li, X, Knox, J. E, Hratchian, H. P, Cross, J. B, Bakken, V, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, Cioslowski, J, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Martin, R. L, Fox, D. J, Keit
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Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. gaussian 03, Revision C.02; Gaussian: Wallingford, CT, 2004.
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