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First discovered in 2,2′-dinitro-6,6′-dicarboxylic acid-biphenyl: Christie, G. H.; Kenner, J. H. J. Chem. Soc. 1922, 121, 614.
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First discovered in 2,2′-dinitro-6,6′-dicarboxylic acid-biphenyl: Christie, G. H.; Kenner, J. H. J. Chem. Soc. 1922, 121, 614.
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28
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50149106742
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A brief attempt to resolve the stereodynamics of neutral bicorannulenyl and to study its reduction pattern appears in: Shabtai, E. From cyclophanes to fullerenes: Three dimensional carbon rich anions. Ph.D. dissertation, The Hebrew University of Jerusalem, Israel, 1999
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A brief attempt to resolve the stereodynamics of neutral bicorannulenyl and to study its reduction pattern appears in: Shabtai, E. From cyclophanes to fullerenes: Three dimensional carbon rich anions. Ph.D. dissertation, The Hebrew University of Jerusalem, Israel, 1999.
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31
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50149086292
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See Supporting Information for more details
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See Supporting Information for more details.
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32
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50149091932
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An alternative definition of the torsion angle in 2 designates ω as the angle between the calculated mean planes of the two bowls
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An alternative definition of the torsion angle in 2 designates ω as the angle between the calculated mean planes of the two bowls.
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33
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0002305877
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34
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50149103529
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180 provide reasonable lower limit estimations for the respective barriers.
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180 provide reasonable lower limit estimations for the respective barriers.
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35
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50149091279
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Gaussian '03, Revision B.05; 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
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Gaussian '03, Revision B.05; 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, Inc.: Wallingford, CT, 2003.
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36
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50149122580
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The calculated difference in energy between S.PP and S.MM is too small to assign them to (a) or (b) unequivocally. The implications of this vagueness on the actual stereochemical picture are negligible.
-
The calculated difference in energy between S.PP and S.MM is too small to assign them to (a) or (b) unequivocally. The implications of this vagueness on the actual stereochemical picture are negligible.
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37
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50149106964
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The bowl depth is defined as the average distance between the 10 rim carbons and the plane defined by the central pentagon
-
The bowl depth is defined as the average distance between the 10 rim carbons and the plane defined by the central pentagon.
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41
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14844289548
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