1997

Phosphorus-oxygen bond formation on organo-capped tricobalt centres via phosphorus-hydrogen or phosphorus-phosphorus bond scission.

G.A.Acum, M.J.Mays, P.R.Raithby, H.R.Powell, G.A.Solan, J. Chem. Soc. ,Dalton Trans., 1997, 3427-3434, DOI: 10.1039/a702669b

Syntheses, structures and electrochemistry of [CuL1(L-R)]BF4[L-1=3-{2,5-dimethoxyphenyl) 1-(2-pyridyl)pyrazole; L-R=tris(3-arylpyrazolyl)hydroborate] and [CuL1;(2)][BF4](2). Effects of graphitic interactions on the stability of an aryl radical cation.

M.A.Halcrow, E.J.L.McInnes, F.E.Mabbs, I.J.Scowen, M.McPartlin, H.R.Powell, J.E.Davies, J. Chem. Soc. ,Dalton Trans., 1997, 4025-4035, DOI: 10.1039/a700317j

New ionophoric calix[4]diquinones: coordination chemistry, electrochemistry, and X-ray crystal structures.

P.D.Beer, P.A.Gale, Zheng Chen, M.G.B.Drew, J.A.Heath, M.I.Ogden, H.R.Powell, Inorg. Chem., 1997, 36 5880-5893, DOI: 10.1021/ic9704851

Representation and searching of carbohydrate structures using graph-theoretic techniques.

I. J. Bruno, N. M. Kemp, P. J. Artymiuk, P. Willet, Carbohydr. Res., 1997, 304 61-67, DOI: 10.1016/S0008-6215(97)00196-1

Investigation of the configurational stability of lithiated phosphine oxides using the Hoffmann test: X-ray structures of (2S(*),3S(*),4R(*))2-(N,N-dibenzylamino)-4-diphenylphosphinoyl-1-phenylpentan-3-ol and (2S(*),4S(*))-2-(N,N-dibenzylamino)-4-diphenylphinoyl-1-phenylpentan-3-one.

P.O'Brien, H.R.Powell, P.R.Raithby, S.Warren, J. Chem. Soc. ,Perkin Trans. 1, 1997, 1031-1039, DOI: 10.1039/a606720d

On the hydrogen bonding abilities of phenols and anisoles.

I. Nobeli, S. L. Yeoh, S. L. Price, R. Taylor, Chem. Phys. Lett., 1997, 280 196-202, DOI: 10.1016/S0009-2614(97)01117-2

IsoStar: A library of information about nonbonded interactions.

I. J. Bruno, J. C. Cole, J. P. M. Lommerse, R. S. Rowland, R. Taylor, M. L. Verdonk, J. Comput. -Aided Mol. Des., 1997, 11 525-537, DOI: 10.1023/A:1007934413448

Hydrogen bonding properties of oxygen and nitrogen acceptors in aromatic heterocycles.

I. Nobeli, S. L. Price, J. P. M. Lommerse, R. Taylor, J. Comput. Chem., 1997, 18 2060-2074, DOI: 3.0.CO;2-S target="_blank">10.1002/(SICI)1096-987X(199712)18:16<2060::AID-JCC10>3.0.CO;2-S

Conformational analysis of 14- and 16-membered unsaturated tetraoxa-, thia- and selena-macrocylic ligands.

P. R. Raithby, G. P. Shields, F. H. Allen, Struct. Chem., 1997, 8 385-407, DOI: 10.1007/BF02311698

Hydrogen bonding properties of nitro-O atoms: a combined crystallographic database andab initiomolecular orbital study.

F. H. Allen, C. A. Baalham, J. P. M. Lommerse, E. Sparr, P. R. Raithby, Acta Crystallogr. ,Sect. B:Struct. Sci., 1997, B53 1017-1024, DOI: 10.1107/S0108768197010239

Directional properties of nitro...halogen interactions: a combined database andab initiomolecular orbital study.

F. H. Allen, J. P. M. Lommerse, V. J. Hoy, J. A. K. Howard, G. R. Desiraju, Acta Crystallogr. ,Sect. B:Struct. Sci., 1997, B53 1006-1016, DOI: 10.1107/S0108768197010227

The bi-loop: a new general four-stranded DNA motif.

S. A. Salisbury, S. E. Wilson, H. R. Powell, O. Kennard, P. Lubini, G. M. Sheldrick, N. Escaja, E. Alazzouzi, A. Grandas, E. Pedroso, Proc. Nat. Acad. Sci. USA, 1997, 94 5515-5518, DOI: 10.1073/pnas.94.11.5515

Stability and structure of DNA oligonucleotides containing non-specific base analogues.

D.Loakes, F.Hill, D.M.Brown, S.A.Salisbury, J. Mol. Biol., 1997, 270 426-435, DOI: 10.1006/jmbi.1997.1129

Distribution of molecular centres in crystallographic unit cells.

W. D. S. Motherwell, Acta Crystallogr. ,Sect. B:Struct. Sci., 1997, B53 726-736, DOI: 10.1107/S0108768197005442

Crystal engineering and correspondence between molecular and crystal structures: Are 2- and 3-aminophenol anomalous?

F.H.Allen, V.J.Hoy, J.A.K.Howard, V.R.Thalladi, G.R.Desiraju, C.C.Wilson, G.J.McIntyre, J. Am. Chem. Soc., 1997, 119 3477-3480, DOI: 10.1021/ja964254p

Conformational analysis of macrocyclic ether ligands. II. 1,4,7,10,13-pentaoxacyclopentadecane and 1,4,7,10,13-pentathiacyclopentadecane.

P. R. Raithby, G. P. Shields, F. H. Allen, Acta Crystallogr. ,Sect. B:Struct. Sci., 1997, B53 476-489, DOI: 10.1107/S0108768196015303

Conformational analysis of macrocyclic ether ligands. I. 1,4,7,10-tetraoxacyclododecane and 1,4,7,10-tetrathiacyclododecane.

P. R. Raithby, G. P. Shields, F. H. Allen, Acta Crystallogr. ,Sect. B:Struct. Sci., 1997, B53 241-251, DOI: 10.1107/S0108768196013663

Hydrogen-bond acceptor and donor properties of divalent sulphur (Y-S-ZandR-S-H).

F. H. Allen, C. M. Bird, R. S. Rowland, P. R. Raithby, Acta Crystallogr. ,Sect. B:Struct. Sci., 1997, B53 696-701, DOI: 10.1107/S0108768197002644

Resonance-induced hydrogen-bonding at sulphur acceptors in R1,R2C=S and R1CS2-systems.

F. H. Allen, C. M. Bird, R. S. Rowland, P. R. Raithby, Acta Crystallogr. ,Sect. B:Struct. Sci., 1997, B53 680-695, DOI: 10.1107/S0108768197002656

The design of a SHG-active crystal, 4-iodo-4'-nitrobiphenyl. The role of supramolecular synthons.

J.A.R.P.Sarma, F.H.Allen, V.J.Hoy, J.A.K.Howard, R.Thaimattam, K.Biradha, G.R.Desiraju, Chem. Commun., 1997, 101-102, DOI: 10.1039/a605044a

Hydrogen bonding of carbonyl, ether and ester oxygen atoms with alkanol hydroxyl groups.

J. P. M.Lommerse, S. L. Price, R. Taylor, F. H. Allen, J. Comput. Chem., 1997, 18 757-780, DOI: 3.0.CO;2-R target="_blank">10.1002/(SICI)1096-987X(19970430)18:6<757::AID-JCC3>3.0.CO;2-R

Development and validation of a genetic algorithm for flexible docking.

G. Jones, P. Willett, R. C. Glen, A. R. Leach, R. Taylor, J. Mol. Biol., 1997, 267 727-748, DOI: 10.1006/jmbi.1996.0897

Characterising non-covalent interactions with the Cambridge Structural Database.

J. P. M. Lommerse, R. Taylor, J. Enzyme Inhib. Med. Chem., 1997, 11 223-229, DOI: 10.3109/14756369709027653

Organic fluorine hardly ever accepts hydrogen bonds.

J. D. Dunitz, R. Taylor, Chem. -Eur. J., 1997, 3 89-98, DOI: 10.1002/chem.19970030115

The Cambridge Structural Database: Current Status.

F. H. Allen, Trans. Am. Crystallogr. Assoc., 1997, 32 1-6

The nature and geometry of intermolecular interactions: combination of 3D database information with theoretical tools.

J.P.M.Lommerse, R.Taylor, F.H.Allen, S.L.Price, Computer-Assisted Lead Finding and Optimization, 1997,