the inside of the channel structure was probed by one molecule
Rissanen, Eur. J. Inorg. Chem., 2001, 1515; U. Ziener, E. Breuning,
J.-M. Lehn, E. Wegelius, K. Rissanen, G. Baum, D. Fenske and G.
Vaughan, Chem.–Eur. J., 2000, 6, 4132.
of 1b by energy minimising it from variable starting orientations
32
and positions inside the channel, using the MMFF force field.
1
1
2 Janus was the Roman god of change and transition. He had two faces
looking in opposite directions, hence the analogy with 1.
CSD search
3 F. Leroy, P. Despr e´ s, M. Bigan and D. Blondeau, Synth. Commun.,
1
996, 26, 2257.
The search was conducted using CSD version 5.25 (November
1
1
1
4 J. Ohmori and H. Kubota, J. Med. Chem., 1996, 39, 1331.
5 R. Trosch u¨ tz and A. Karger, J. Heterocycl. Chem., 1996, 33, 1815.
6 Macromodel V6.0. F. Mohamadi, N. G. J. Richards, W. C. Guide, R.
Liskamp, M. Lipton, C. Caulfield, G. Chang, T. Hendrickson and
W. C. Still, J. Comput. Chem., 1990, 11, 440.
18
2
003). A query consisting of the parent phenanthroline struc-
ture resulted in 86 crystal structures of purely organic, nonionic
composition. Entries containing N-substitution or chelation by
alkali metals (24) were eliminated by hand, as well as those
missing a 3D structure (8), leaving 54 structures to be analysed.
ꢀ
1
7 For a discussion on Z and crystal packing frequencies see: T. Steiner,
Acta Crystallogr., Sect. B, 2000, 56, 673; C. P. Brock, Chem. Mater.,
1
994, 6, 1118.
Acknowledgements
18 CCDC, Cambridge Structural Database CSD 1.6. University of
Cambridge, UK, 2003.
We thank the Swedish Research Council as well as the Crafoord
Foundation, the Lars-Johan Hjerta Foundation, the Magn.
Bergvall Foundation and the Royal Physiographic Society for
generous grants. The faculty exchange program between Lund
University and the University of California is acknowledged for
a scholarship to K. W.
19 T. Steiner, J. van der Maas and B. Lutz, J. Chem. Soc., Perkin Trans. 2,
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2
0 For selected hydrogen bonded structures see: D. Paul, F. Melin, C.
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999, 55, 751; E. Garc ´ı a-Mart ´ı nez, E. M. V a´ zquez-L o´ pez and D. G.
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