Crystallography Open Database

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7150366 CIFC38 H26 O2P 1 21/n 15.8002; 14.4736; 15.751
90; 91.141; 90
1322.03Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin
Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.
Organic & biomolecular chemistry, 2004, 2, 2299-2304
7150367 CIFC54 H62 N4 O6P -110.2961; 14.9893; 17.8825
108.255; 91.524; 109.284
2447.71Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin
Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.
Organic & biomolecular chemistry, 2004, 2, 2299-2304
7150368 CIFC46 H44 N2 O4P -17.9629; 9.0266; 13.5092
77.015; 83.033; 84.212
936.47Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin
Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.
Organic & biomolecular chemistry, 2004, 2, 2299-2304
7150369 CIFC50 H50 O8P 1 21/c 113.1096; 12.8883; 12.0038
90; 92.247; 90
2026.61Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin
Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.
Organic & biomolecular chemistry, 2004, 2, 2299-2304
7150370 CIFC46 H42 O4P 1 21/n 17.7993; 21.9845; 21.0296
90; 94.552; 90
3594.44Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin
Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.
Organic & biomolecular chemistry, 2004, 2, 2299-2304
7150371 CIFC11 H19 N O6P 1 21/c 17.319; 21.573; 8.799
90; 108.02; 90
1321.2Griesbeck, Axel G.; Bondock, Samir; Lex, Johann
Stereoselective generation of vicinal stereogenic quaternary centers by photocycloaddition of 5-methoxy oxazoles to alpha-keto esters: synthesis of erythro beta-hydroxy dimethyl aspartates.
Organic & biomolecular chemistry, 2004, 2, 1113-1115
7150372 CIFC24 H32 Br N O5C 1 2/c 125.75; 11.464; 20.37
90; 125.61; 90
4889Williams, Craig M.; Heim, Ralf; Brecknell, Douglas J.; Bernhardt, Paul V.
Unprecedented photochemical induced cascading rearrangement of the 3-azabicyclo[3.3.1]nonane skeleton.
Organic & biomolecular chemistry, 2004, 2, 806-807
7150373 CIFC32 H39 N O8P -17.2889; 12.26; 16.917
99.24; 97.78; 90.4
1477.7Williams, Craig M.; Heim, Ralf; Brecknell, Douglas J.; Bernhardt, Paul V.
Unprecedented photochemical induced cascading rearrangement of the 3-azabicyclo[3.3.1]nonane skeleton.
Organic & biomolecular chemistry, 2004, 2, 806-807
7150374 CIFC27 H20 S2P 1 21/n 18.827; 21.647; 11.075
90; 100.493; 90
2080.8van Delden, Richard A.; ter Wiel, Matthijs K. J.; de Jong, Harmen; Meetsma, Auke; Feringa, Ben L.
Exploring the boundaries of a light-driven molecular motor design: new sterically overcrowded alkenes with preferred direction of rotation.
Organic & biomolecular chemistry, 2004, 2, 1531-1541
7150375 CIFC13 H17 N3 OC 1 c 115.582; 9.9509; 7.9189
90; 97.128; 90
1218.37Horsley, Helen T.; Holmes, Andrew B.; Davies, John E.; Goodman, Jonathan M.; Silva, María A; Pascu, Sofia I.; Collins, Ian
Investigation of conjugate addition/intramolecular nitrone dipolar cycloadditions and their use in the synthesis of dendrobatid alkaloid precursors.
Organic & biomolecular chemistry, 2004, 2, 1258-1265
7150376 CIFC13 H17 N3 OP -15.8416; 6.9482; 31.7123
86.981; 89.733; 68.635
1196.89Horsley, Helen T.; Holmes, Andrew B.; Davies, John E.; Goodman, Jonathan M.; Silva, María A; Pascu, Sofia I.; Collins, Ian
Investigation of conjugate addition/intramolecular nitrone dipolar cycloadditions and their use in the synthesis of dendrobatid alkaloid precursors.
Organic & biomolecular chemistry, 2004, 2, 1258-1265
7150377 CIFC13 H17 N3 OP 1 21/n 112.61; 12.464; 16.763
90; 107.01; 90
2519.4Horsley, Helen T.; Holmes, Andrew B.; Davies, John E.; Goodman, Jonathan M.; Silva, María A; Pascu, Sofia I.; Collins, Ian
Investigation of conjugate addition/intramolecular nitrone dipolar cycloadditions and their use in the synthesis of dendrobatid alkaloid precursors.
Organic & biomolecular chemistry, 2004, 2, 1258-1265
7150378 CIFC16 H33 N O5 SiP 1 21 17.575; 13.478; 10.641
90; 109.04; 90
1027Li, Hongqing; Blériot, Yves; Chantereau, Caroline; Mallet, Jean-Maurice; Sollogoub, Matthieu; Zhang, Yongmin; Rodríguez-García, Eliazar; Vogel, Pierre; Jiménez-Barbero, Jesús; Sinaÿ, Pierre
The first synthesis of substituted azepanes mimicking monosaccharides: a new class of potent glycosidase inhibitors.
Organic & biomolecular chemistry, 2004, 2, 1492-1499
7150379 CIFC32 H38.6 N2 O10.3P -111.431; 14.985; 10.19
92.1; 104.7; 70.09
1585Pasini, Dario; Righetti, Pier Paolo; Zema, Michele
C2 symmetrical double chromophores: cooperativity effects in lanthanide ion complexation.
Organic & biomolecular chemistry, 2004, 2, 1764-1769
7150380 CIFC36 H46 N2 O12P -18.186; 18.852; 6.057
96.7; 106.03; 80.81
884Pasini, Dario; Righetti, Pier Paolo; Zema, Michele
C2 symmetrical double chromophores: cooperativity effects in lanthanide ion complexation.
Organic & biomolecular chemistry, 2004, 2, 1764-1769
7150381 CIFC8 H4 I2 Se6P 1 21/c 16.9162; 21.895; 20.761
90; 91.611; 90
3142.6Shirahata, Takashi; Imakubo, Tatsuro
Synthesis of novel selenium-containing donors as selenium analogues of diiodo(ethylenedithio)diselenadithiafulvalene (DIETS).
Organic & biomolecular chemistry, 2004, 2, 1685-1687
7150382 CIFC14 H14 F3 N O2P -16.4271; 7.7669; 14.1095
95.29; 94.206; 111.866
646.44Hoffmann-Röder, Anja; Seiler, Paul; Diederich, François
Nucleophilic trifluoromethylation of cyclic imides using (trifluoromethyl)trimethylsilane CF3SiMe3.
Organic & biomolecular chemistry, 2004, 2, 2267-2269
7150383 CIFC14 H16 O8 SP 1 21 15.473; 11.0206; 12.9676
90; 100.877; 90
768.1Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Palomero, Maria A.; Polara, Alessandra; Rodriguez, Felix; Sheppard, Tom D.
Studies on the generation of enolate anions from butane-2,3-diacetal protected glycolic acid derivatives and subsequent highly diastereoselective coupling reactions with aldehydes and acid chlorides.
Organic & biomolecular chemistry, 2004, 2, 3618-3627
7151552 CIFC51 H70 O5P -112.5942; 18.0596; 22.178
97.231; 97.264; 104.726
4773.4Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.
Factors influencing solvent adduct formation by calixarenes in the solid state.
Organic & biomolecular chemistry, 2004, 2, 387-396
7151553 CIFC60 H91 N O35 Ru3 S4P n m a19.111; 19.764; 18.122
90; 90; 90
6844.9Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.
Factors influencing solvent adduct formation by calixarenes in the solid state.
Organic & biomolecular chemistry, 2004, 2, 387-396
7151554 CIFC29 H30 Cl3 N O4P -111.187; 12.038; 12.244
61.561; 69.877; 74.679
1351.3Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.
Factors influencing solvent adduct formation by calixarenes in the solid state.
Organic & biomolecular chemistry, 2004, 2, 387-396
7151555 CIFC50 H60 O4P 1 21/n 112.307; 31.192; 12.43
90; 112.518; 90
4407.8Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.
Factors influencing solvent adduct formation by calixarenes in the solid state.
Organic & biomolecular chemistry, 2004, 2, 387-396
7151556 CIFC46.5 H59.75 N1.25 O4P n a 2126.365; 12.614; 12.585
90; 90; 90
4185.4Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.
Factors influencing solvent adduct formation by calixarenes in the solid state.
Organic & biomolecular chemistry, 2004, 2, 387-396
7151557 CIFC55.5 H76 O8P -121.163; 21.401; 25.508
107.194; 108.912; 90.083
10380.1Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.
Factors influencing solvent adduct formation by calixarenes in the solid state.
Organic & biomolecular chemistry, 2004, 2, 387-396
7151558 CIFC51 H70 O5P -112.439; 13.78; 14.061
78.082; 88.428; 76.002
2287.6Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.
Factors influencing solvent adduct formation by calixarenes in the solid state.
Organic & biomolecular chemistry, 2004, 2, 387-396
7151575 CIFC92 H45 Cl6 D2 F15 O18P -114.2716; 17.0905; 17.5293
76.145; 74.066; 80.183
3966.45Burley, Glenn A.; Avent, Anthony G.; Gol'dt, Ilya V.; Hitchcock, Peter B.; Al-Matar, Hamad; Paolucci, Demis; Paolucci, Francesco; Fowler, Patrick W.; Soncini, Alessandro; Street, Joan M.; Taylor, Roger
Design and synthesis of multi-component 18 pi annulenic fluorofullerene ensembles suitable for donor-acceptor applications.
Organic & biomolecular chemistry, 2004, 2, 319-329
7151576 CIFC7 H9 F O4P 1 21/n 110.12; 7.299; 10.965
90; 98.76; 90
800.49Rosen, Thomas C.; De Clercq, Erik; Balzarini, Jan; Haufe, Günter
Synthesis and antiviral activity of monofluorinated cyclopropanoid nucleosides.
Organic & biomolecular chemistry, 2004, 2, 229-237
7151577 CIFC7 H10 N2 O5P 1 21 16.9444; 6.4862; 9.16
90; 99.437; 90
407.01Vogensen, Stine B.; Greenwood, Jeremy R.; Varming, Annemarie R.; Brehm, Lotte; Pickering, Darryl S.; Nielsen, Birgitte; Liljefors, Tommy; Clausen, Rasmus P.; Johansen, Tommy N.; Krogsgaard-Larsen, Povl
A stereochemical anomaly: the cyclised (R)-AMPA analogue (R)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid [(R)-5-HPCA] resembles (S)-AMPA at glutamate receptors.
Organic & biomolecular chemistry, 2004, 2, 206-213
7151589 CIFC2 H7 Cl F NP b c a7.621; 8.543; 14.83
90; 90; 90
965.5Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.
The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.
Organic & biomolecular chemistry, 2004, 2, 732-740
7151590 CIFC16 H19 Cl F NP -16.821; 10.177; 12.07
110.74; 90.8; 103.32
758.3Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.
The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.
Organic & biomolecular chemistry, 2004, 2, 732-740
7151591 CIFC6 H13 Cl F N OP 1 21/n 17.34; 9.302; 12.025
90; 92.072; 90
820.5Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.
The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.
Organic & biomolecular chemistry, 2004, 2, 732-740
7151592 CIFC4 H10 Cl F2 NP 1 21/n 17.335; 6.9524; 13.17
90; 93.567; 90
670.3Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.
The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.
Organic & biomolecular chemistry, 2004, 2, 732-740
7151593 CIFC19 H23 Cl F NP 21 21 219.21; 12.66; 14.89
90; 90; 90
1736Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.
The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.
Organic & biomolecular chemistry, 2004, 2, 732-740
7151594 CIFC10 H10 Cl I N4 OP 1 21/c 14.8021; 11.86; 21.79
90; 95.098; 90
1236.1Taddei, David; Kilian, Petr; Slawin, Alexandra M. Z.; Derek Woollins, J.
Synthesis and full characterisation of 6-chloro-2-iodopurine, a template for the functionalisation of purines.
Organic & biomolecular chemistry, 2004, 2, 665-670
7151595 CIFC5 H4 Cl I N4 OP 1 21/c 17.172; 16.732; 7.577
90; 115.863; 90
818.2Taddei, David; Kilian, Petr; Slawin, Alexandra M. Z.; Derek Woollins, J.
Synthesis and full characterisation of 6-chloro-2-iodopurine, a template for the functionalisation of purines.
Organic & biomolecular chemistry, 2004, 2, 665-670
7151596 CIFC15 H20 Br N O2P -110.841; 11.998; 12.157
103.14; 97.91; 103.65
1465.5Kodato, Shinichi; Linders, Joannes T. M.; Gu, Xiao-Hui; Yamada, Koichiro; Flippen-Anderson, Judith L; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.
Synthesis of rac-(1R,4aR,9aR)-2-methyl-1,3,4,9a-tetrahydro-2H-1,4a-propanobenzofuro[2,3-c]pyridin-6-ol. An unusual double rearrangement leading to the ortho- and para-f oxide-bridged phenylmorphan isomers.
Organic & biomolecular chemistry, 2004, 2, 330-336
7151597 CIFC17 H27 Cl2 N O3P 1 21 16.521; 8.187; 17.336
90; 92.72; 90
924.5Kodato, Shinichi; Linders, Joannes T. M.; Gu, Xiao-Hui; Yamada, Koichiro; Flippen-Anderson, Judith L; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.
Synthesis of rac-(1R,4aR,9aR)-2-methyl-1,3,4,9a-tetrahydro-2H-1,4a-propanobenzofuro[2,3-c]pyridin-6-ol. An unusual double rearrangement leading to the ortho- and para-f oxide-bridged phenylmorphan isomers.
Organic & biomolecular chemistry, 2004, 2, 330-336
7151598 CIFC15 H20 Cl N O2P 21 21 217.2507; 12.939; 15.788
90; 90; 90
1481.2Kodato, Shinichi; Linders, Joannes T. M.; Gu, Xiao-Hui; Yamada, Koichiro; Flippen-Anderson, Judith L; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.
Synthesis of rac-(1R,4aR,9aR)-2-methyl-1,3,4,9a-tetrahydro-2H-1,4a-propanobenzofuro[2,3-c]pyridin-6-ol. An unusual double rearrangement leading to the ortho- and para-f oxide-bridged phenylmorphan isomers.
Organic & biomolecular chemistry, 2004, 2, 330-336
7151599 CIFC20 H40 Cl4 O2 Sn4C 1 2/c 118.525; 10.4917; 15.695
90; 95.085; 90
3038.5Cunningham, Anthony; Mokal-Parekh, Vijaya; Wilson, Claire; Woodward, Simon
On the use of mixtures of organotin species for catalytic enantioselective ketone allylation‒a detective story.
Organic & biomolecular chemistry, 2004, 2, 741-748
7151600 CIFC25 H31 N O4P 21 21 2118.064; 13.961; 9.143
90; 90; 90
2305.8Urones, Julio G.; Garrido, Narciso M.; Díez, David; El Hammoumi, Mohamed M.; Dominguez, Sara H.; Antonio Casaseca, J.; Davies, Stephen G.; Smith, Andrew D.
Asymmetric synthesis of the stereoisomers of 2-amino-5-carboxymethyl-cyclopentane-1-carboxylate.
Organic & biomolecular chemistry, 2004, 2, 364-372
7151601 CIFC38 H28 N2 O2C 1 2/c 118.1633; 11.0249; 14.0928
90; 97.171; 90
2800Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong
Inclusion of quinolines by binaphthol: structures and selectivity.
Organic & biomolecular chemistry, 2004, 2, 655-659
7151602 CIFC40 H32 N2 O2C 1 2 114.8402; 10.5377; 9.7304
90; 99.443; 90
1501.04Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong
Inclusion of quinolines by binaphthol: structures and selectivity.
Organic & biomolecular chemistry, 2004, 2, 655-659
7151603 CIFC45 H36.5 N2.5 O2P -18.8396; 9.4695; 21.6106
94.652; 98.068; 103.822
1726.77Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong
Inclusion of quinolines by binaphthol: structures and selectivity.
Organic & biomolecular chemistry, 2004, 2, 655-659
7151604 CIFC40 H32 N2 O2C 1 2/c 114.4495; 11.0481; 19.6571
90; 105.1; 90
3029.7Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong
Inclusion of quinolines by binaphthol: structures and selectivity.
Organic & biomolecular chemistry, 2004, 2, 655-659
7151605 CIFC20 H24 N2 O5 SP 1 21/c 18.9072; 18.141; 12.9956
90; 94.949; 90
2092.1Scanlan, Eoin M.; Slawin, Alexandra M. Z.; Walton, John C.
Preparation of beta- and gamma-lactams from carbamoyl radicals derived from oxime oxalate amides.
Organic & biomolecular chemistry, 2004, 2, 716-724
7151606 CIFC16 H28 O6 SiP 1 21 112.626; 14.332; 20.971
90; 95.257; 90
3778.9Gathergood, Nicholas; Juhl, Karsten; Poulsen, Thomas B.; Thordrup, Karl; Jørgensen, Karl Anker
Direct catalytic asymmetric aldol reactions of pyruvates: scope and mechanism.
Organic & biomolecular chemistry, 2004, 2, 1077-1085
7151607 CIFC11 H19 N O5P 21 21 216.4668; 10.4584; 19.4553
90; 90; 90
1315.81Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.
Synthesis of (2S,3S)-3'-fluoroisoleucine.
Organic & biomolecular chemistry, 2004, 2, 797-802
7151608 CIFC27 H36 F N O4 SiP 1 21 19.811; 13.067; 11.121
90; 104.99; 90
1377.2Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.
Synthesis of (2S,3S)-3'-fluoroisoleucine.
Organic & biomolecular chemistry, 2004, 2, 797-802
7151609 CIFC22 H25 N O2 SeP 15.2672; 12.0311; 17.196
104.049; 98.288; 99.018
1025Bourland, T. Campbell; Carter, Rich G.; Yokochi, Alexandre F. T.
Vanadium-catalyzed selenide oxidation with in situ[2,3] sigmatropic rearrangement (SOS reaction): scope and asymmetric applications.
Organic & biomolecular chemistry, 2004, 2, 1315-1329
7151610 CIFC19 H19 N O2 SeP 1 21 19.055; 4.8997; 18.0554
90; 100.842; 90
786.76Bourland, T. Campbell; Carter, Rich G.; Yokochi, Alexandre F. T.
Vanadium-catalyzed selenide oxidation with in situ[2,3] sigmatropic rearrangement (SOS reaction): scope and asymmetric applications.
Organic & biomolecular chemistry, 2004, 2, 1315-1329
7151611 CIFC20 H14 O SP 1 21/m 110.2869; 6.7635; 11.4718
90; 111.162; 90
744.3Yamamura, Kimiaki; Houda, Yuuko; Hashimoto, Masao; Kimura, Takatomo; Kamezawa, Makoto; Otani, Takehiko
An efficient novel synthesis of beta-(azuleno[1,2-b]benzothienyl)- and beta-(azuleno[2,1-b]benzothienyl)-alpha,beta-unsaturated ketones by the tropylium ion-mediated intramolecular furan ring-opening reaction and X-ray investigation of methyl ketone derivative.
Organic & biomolecular chemistry, 2004, 2, 1413-1418
7151612 CIFC20 H14 O SP c a 2118.905; 4.7718; 33.799
90; 90; 90
3049Yamamura, Kimiaki; Houda, Yuuko; Hashimoto, Masao; Kimura, Takatomo; Kamezawa, Makoto; Otani, Takehiko
An efficient novel synthesis of beta-(azuleno[1,2-b]benzothienyl)- and beta-(azuleno[2,1-b]benzothienyl)-alpha,beta-unsaturated ketones by the tropylium ion-mediated intramolecular furan ring-opening reaction and X-ray investigation of methyl ketone derivative
Organic & Biomolecular Chemistry, 2004, 2, 1413-1418
7151613 CIFC27 H34 D3 N O4 SiP 1 21 19.767; 13.052; 11.178
90; 105.26; 90
1374.7Charrier, Jean-Damien; Hitchcock, Peter B.; Young, Douglas W.
Synthesis of (2S,3R)-[3',3',3'-2H3]-valine and (2S,3S)-4-fluorovaline.
Organic & biomolecular chemistry, 2004, 2, 1310-1314
7151614 CIFC23 H19 F2 N3 O2P -17.673; 11.394; 11.894
97.22; 106.92; 90.85
985.5Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François
A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.
Organic & biomolecular chemistry, 2004, 2, 1339-1352
7151615 CIFC23 H19 F2 N3 O2P -19.4926; 10.3004; 10.9831
93.68; 94.13; 115.22
963.64Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François
A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.
Organic & biomolecular chemistry, 2004, 2, 1339-1352
7151616 CIFC8 H3 F2 N OP 21 21 213.7369; 6.2036; 28.8526
90; 90; 90
668.87Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François
A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.
Organic & biomolecular chemistry, 2004, 2, 1339-1352
7151617 CIFC23 H21 Cl F3 N3 O3P 1 21/c 111.636; 6.9444; 26.6949
90; 98.983; 90
2130.6Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François
A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.
Organic & biomolecular chemistry, 2004, 2, 1339-1352
7151618 CIFC23 H18 F3 N3 O2P 1 21/n 14.889; 20.18; 19.844
90; 96.211; 90
1946.3Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François
A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.
Organic & biomolecular chemistry, 2004, 2, 1339-1352
7151619 CIFC21 H17 N OP 1 21 18.3987; 5.7449; 15.9653
90; 90.774; 90
770.25Yamamoto, Yoshihiko; Kinpara, Keisuke; Saigoku, Tomoaki; Nishiyama, Hisao; Itoh, Kenji
Synthesis of benzo-fused lactams and lactones via Ru(II)-catalyzed cycloaddition of amide- and ester-tethered alpha,omega-diynes with terminal alkynes: electronic directing effect of internal conjugated carbonyl group.
Organic & biomolecular chemistry, 2004, 2, 1287-1294
7151620 CIFC16 H26 F2 O8P 41 21 219.184; 19.184; 10.165
90; 90; 90
3741Frederickson, Martyn; Roszak, Aleksander W.; Coggins, John R.; Lapthorn, Adrian J.; Abell, Chris
(1R,4S,5R)-3-Fluoro-1,4,5-trihydroxy-2-cyclohexene-1-carboxylic acid: the fluoro analogue of the enolate intermediate in the reaction catalyzed by type II dehydroquinases.
Organic & biomolecular chemistry, 2004, 2, 1592-1596
7151621 CIFC18 H21 N O4P -19.2885; 9.7175; 10.1841
67.61; 83.86; 66.887
780.73Hermitage, Stephen; Howard, Judith A. K.; Jay, David; Pritchard, Robin G.; Probert, Michael R.; Whiting, Andrew
Mechanistic studies on the formal aza-Diels-Alder reactions of N-aryl imines: evidence for the non-concertedness under Lewis-acid catalysed conditions.
Organic & biomolecular chemistry, 2004, 2, 2451-2460
7151622 CIFC17 H19 N O5P 1 21/n 17.959; 16.44; 12.342
90; 90.01; 90
1615Hermitage, Stephen; Howard, Judith A. K.; Jay, David; Pritchard, Robin G.; Probert, Michael R.; Whiting, Andrew
Mechanistic studies on the formal aza-Diels-Alder reactions of N-aryl imines: evidence for the non-concertedness under Lewis-acid catalysed conditions.
Organic & biomolecular chemistry, 2004, 2, 2451-2460
7151623 CIFC10 H15 I N6 O2P 1 21/n 17.22; 8.7222; 11.6617
90; 98.271; 90
726.75Krüger, Thomas; Bruhn, Clemens; Steinborn, Dirk
Synthesis of [(MeCyt)2H]I-structure and stability of a dimeric threefold hydrogen-bonded 1-methylcytosinium 1-methylcytosine cation.
Organic & biomolecular chemistry, 2004, 2, 2513-2516
7151624 CIFC23 H18 N2P -19.287; 9.393; 10.735
81.726; 72.983; 71.805
849.25Elangovan, Arumugasamy; Chiu, Hsing-Hua; Yang, Shu-Wen; Ho, Tong-Ing
Arylethynylacridines: electrochemiluminescence and photophysical properties.
Organic & biomolecular chemistry, 2004, 2, 3113-3118
7151625 CIFC14 H25 N O5P 1 21/n 114.668; 5.7076; 18.373
90; 95.266; 90
1531.7Cren, Sylvaine; Gurcha, Sudagar S.; Blake, Alexander J.; Besra, Gurdyal S.; Thomas, Neil R.
Synthesis and biological evaluation of new inhibitors of UDP-Galf transferase–a key enzyme in M. tuberculosis cell wall biosynthesis.
Organic & biomolecular chemistry, 2004, 2, 2418-2420
7153515 CIFC22 H22 N2 O2P 1 21/a 114.9171; 12.9531; 19.9159
90; 107.734; 90
3665.33Faraoni, Raffaella; Blanzat, Muriel; Kubicek, Stefan; Braun, Christophe; Schweizer, W. Bernd; Gramlich, Volker; Diederich, Fran�ois
New Rebek imide-type receptors for adenine featuring acetylene-linked ?-stacking platformsElectronic supplementary information (ESI) available: synthetic protocols, binding studies and Job plot analysis. See http://www.rsc.org/suppdata/ob/b4/b404311a/.
Organic & Biomolecular Chemistry, 2004, 2, 1962-1964
7153516 CIFC42.5 H52 Cl1.5 N12 O4P -17.6166; 16.8616; 17.8082
88.088; 81.177; 77.664
2207.83Faraoni, Raffaella; Blanzat, Muriel; Kubicek, Stefan; Braun, Christophe; Schweizer, W. Bernd; Gramlich, Volker; Diederich, Fran�ois
New Rebek imide-type receptors for adenine featuring acetylene-linked ?-stacking platformsElectronic supplementary information (ESI) available: synthetic protocols, binding studies and Job plot analysis. See http://www.rsc.org/suppdata/ob/b4/b404311a/.
Organic & Biomolecular Chemistry, 2004, 2, 1962-1964
7153517 CIFC8 H16 N2 O5P 21 21 215.804; 11.033; 15.991
90; 90; 90
1024Davies, Stephen G.; Haggitt, Jane R.; Ichihara, Osamu; Kelly, Richard J.; Leech, Michael A.; Price Mortimer, Anne J.; Roberts, Paul M.; Smith, Andrew D.
Asymmetric total synthesis of sperabillins B and D via lithium amide conjugate addition
Organic & Biomolecular Chemistry, 2004, 2, 2630-2649
7153518 CIFC19 H26 I N O4P 21 21 218.2499; 13.392; 18.48
90; 90; 90
2041.7Davies, Stephen G.; Haggitt, Jane R.; Ichihara, Osamu; Kelly, Richard J.; Leech, Michael A.; Price Mortimer, Anne J.; Roberts, Paul M.; Smith, Andrew D.
Asymmetric total synthesis of sperabillins B and D via lithium amide conjugate addition
Organic & Biomolecular Chemistry, 2004, 2, 2630-2649
7153519 CIFC16 H16 N3 O6 TcP 21 21 219.0094; 13.0282; 15.5661
90; 90; 90
1827.1van Staveren, Dave R.; Mundwiler, Stefan; Hoffmanns, Ulrich; Pak, Jae Kyoung; Spingler, Bernhard; Metzler-Nolte, Nils; Alberto, Roger
Conjugation of a novel histidine derivative to biomolecules and labelling with [99mTc(OH2)3(CO)3]+Electronic supplementary information (ESI) available: complete 1H and 13C NMR spectra of 14, 15, 16 and 19. See http://www.rsc.org/suppdata/ob/b4/b405575f/
Organic & Biomolecular Chemistry, 2004, 2, 2593-2603
7153520 CIFC21 H28 O5P 1 21 19.685; 8.592; 23.185
90; 92.13; 90
1928Kino, Rie; Daikai, Kazuhiro; Kawanami, Toshio; Furuno, Hiroshi; Inanaga, Junji
Remarkable effect of tris(4-fluorophenyl)phosphine oxide on the stabilization of chiral lanthanum complex catalysts. A new and practical protocol for the highly enantioselective epoxidation of conjugated enonesElectronic supplementary information (ESI) available: HPLC analysis of 2, 1H NMR data for 3 and 4, and crystal data for 5. See http://www.rsc.org/suppdata/ob/b4/b405882h/
Organic & Biomolecular Chemistry, 2004, 2, 1822-1824
7153521 CIFC14 H21 N O4 SC 1 2 121.0458; 5.9725; 13.3797
90; 110.221; 90
1578.12Buchanan, David J.; Dixon, Darren J.; Hernandez-Juan, Felix A.
Highly stereoselective oxy-Michael additions to ?,?-disubstituted nitro olefins: asymmetric synthesis of pseudo-norephedrine derivatives and THP* protected ?-hydroxy ketones
Organic & Biomolecular Chemistry, 2004, 2, 2932-2934
7153522 CIFC15 H21 N O4C 1 2 119.5297; 5.7494; 13.7124
90; 105.224; 90
1485.65Buchanan, David J.; Dixon, Darren J.; Hernandez-Juan, Felix A.
Highly stereoselective oxy-Michael additions to ?,?-disubstituted nitro olefins: asymmetric synthesis of pseudo-norephedrine derivatives and THP* protected ?-hydroxy ketones
Organic & Biomolecular Chemistry, 2004, 2, 2932-2934
7153523 CIFC19.5 H19.5 Cl1.5 N3 O6P 1 21/c 112.342; 28.44; 13.777
90; 107.291; 90
4617Pearson, Russell J.; Kassianidis, Eleftherios; Slawin, Alexandra M. Z.; Philp, Douglas
Self-replication vs. reactive binary complexes?manipulating recognition-mediated cycloadditions by simple structural modifications
Organic & Biomolecular Chemistry, 2004, 2, 3434-3441
7153524 CIFC57 H51 N6 O10.5R 3 m :H31.0859; 31.0859; 4.6544
90; 90; 120
3895.12Hardie, Michaele J.; Mills, Rachael M.; Sumby, Christopher J.
Building blocks for cyclotriveratrylene-based coordination networks
Organic & Biomolecular Chemistry, 2004, 2, 2958-2964
7153525 CIFC58 H51 N5 O6P -112.036; 12.09; 18.469
104.18; 98.27; 109.89
2372.9Hardie, Michaele J.; Mills, Rachael M.; Sumby, Christopher J.
Building blocks for cyclotriveratrylene-based coordination networks
Organic & Biomolecular Chemistry, 2004, 2, 2958-2964
7153526 CIFC45 H74.5 B3 F12 N2 O8.25 PP -116.912; 21.522; 31.46
90.638; 102.614; 105.37
10746Georges, Norma; Loeb, Stephen J.; Tiburcio, Jorge; Wisner, James A.
[2]Rotaxanes containing pyridinium?phosphonium axles and 24-crown-8 ether wheels
Organic & Biomolecular Chemistry, 2004, 2, 2751-2756
7153527 CIFC24 H20 N4 OP 1 21/a 122.881; 6.314; 28.86
90; 109.86; 90
3921.4Hughes, Gregory; Kreher, David; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.
Ethynyl ?-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties
Organic & Biomolecular Chemistry, 2004, 2, 3363-3367
7153528 CIFC24 H20 N2 O SP -16.1665; 6.9748; 22.943
83.55; 84.09; 83.67
970.45Hughes, Gregory; Kreher, David; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.
Ethynyl ?-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties
Organic & Biomolecular Chemistry, 2004, 2, 3363-3367
7153529 CIFC26 H20 N2 O SP -16.345; 6.985; 23.672
94.24; 91.96; 91.93
1045Hughes, Gregory; Kreher, David; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.
Ethynyl ?-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties
Organic & Biomolecular Chemistry, 2004, 2, 3363-3367
7153530 CIFC23 H19 Cl3 N4 O SP 1 21/c 16.1798; 26.851; 13.65
90; 92.26; 90
2263.2Hughes, Gregory; Kreher, David; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.
Ethynyl ?-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties
Organic & Biomolecular Chemistry, 2004, 2, 3363-3367
7153531 CIFC17 H23 N O4 SP 21 21 218.23; 9.09; 22.57
90; 90; 90
1688Wang, Libo; Nakamura, Shuichi; Toru, Takeshi
Highly enantioselective reaction of lithiated N-Boc-thiazolidine: a new chiral formyl anion equivalent
Organic & Biomolecular Chemistry, 2004, 2, 2168-2169
7153532 CIFC23 H34 N2 OP 1 21 19.1902; 14.444; 15.8727
90; 94.398; 90
2100.8Whitby, Richard J.; Gustaf Saluste, C.; Furber, Mark
Synthesis of ?-iminoimidates by palladium catalysed double isonitrile insertion
Organic & Biomolecular Chemistry, 2004, 2, 1974-1976
7153533 CIFC30 H36 N4 O3P 21 21 2111.1668; 11.7777; 20.32
90; 90; 90
2672.47El Drubi Vega, Ismael; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.
Anion binding properties of 5,5?-dicarboxamido-dipyrrolylmethanes
Organic & Biomolecular Chemistry, 2004, 2, 2935-2941
7153534 CIFC23 H35 N3 O3P 1 21/c 113.788; 17.251; 9.9242
90; 107.786; 90
2247.7El Drubi Vega, Ismael; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.
Anion binding properties of 5,5?-dicarboxamido-dipyrrolylmethanes
Organic & Biomolecular Chemistry, 2004, 2, 2935-2941
7153535 CIFC25.17 H40.5 N4.17 O2.33P -113.0112; 17.31; 17.729
88.46; 81.647; 88.021
3947.3El Drubi Vega, Ismael; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.
Anion binding properties of 5,5?-dicarboxamido-dipyrrolylmethanes
Organic & Biomolecular Chemistry, 2004, 2, 2935-2941
7153536 CIFC28 H41 N3 O5 S2P 21 21 217.476; 14.31; 26.388
90; 90; 90
2823.03Scheuermann, J. Erik W.; Sibbons, Kevin F.; Benoit, David M.; Motevalli, Majid; Watkinson, Michael
The synthesis of unsymmetrically N-substituted chiral 1,4,7-triazacyclononanesElectronic supplementary information (ESI) available: Molecular modelling methodology. Figs. S1?S4: Lowest energy conformation calculated for the protonated form of 6b, 6b�HOAc, the protonated form of 6a and 6a�HOAc. Figs. S5 and S6: Charge distribution calculated for the protonated forms of 6a and 6b. See http://www.rsc.org/suppdata/ob/b4/b409259g/
Organic & Biomolecular Chemistry, 2004, 2, 2664-2670
7153537 CIFC24 H37 N3 O4 S2P 21 21 2110.752; 11.183; 21.829
90; 90; 90
2624.7Scheuermann, J. Erik W.; Sibbons, Kevin F.; Benoit, David M.; Motevalli, Majid; Watkinson, Michael
The synthesis of unsymmetrically N-substituted chiral 1,4,7-triazacyclononanesElectronic supplementary information (ESI) available: Molecular modelling methodology. Figs. S1?S4: Lowest energy conformation calculated for the protonated form of 6b, 6b�HOAc, the protonated form of 6a and 6a�HOAc. Figs. S5 and S6: Charge distribution calculated for the protonated forms of 6a and 6b. See http://www.rsc.org/suppdata/ob/b4/b409259g/
Organic & Biomolecular Chemistry, 2004, 2, 2664-2670
7153538 CIFC19 H20 B F4 N O2P b c a14.1926; 14.1055; 18.319
90; 90; 90
3667.3Moncada, Margarida C.; Fern�ndez, Dami�n; Lima, Jo�o C.; Parola, A. Jorge; Lodeiro, Carlos; Folgosa, Filipe; Melo, M. Jo�o; Pina, Fernando
Multistate properties of 7-(N,N-diethylamino)-4?-hydroxyflavylium. An example of an unidirectional reaction cycle driven by pH
Organic & Biomolecular Chemistry, 2004, 2, 2802-2808
7153539 CIFC31 H31 N O4P -110.259; 16.12; 8.654
104.45; 105.78; 96.235
1309.5Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kunitomo, Jun-ichi; Yamashita, Masayuki; Ohta, Shunsaku; Nabe, Takeshi; Kohno, Shigekatsu; Yokomizo, Takehiko; Shimizu, Takao; Ohishi, Yoshitaka
Preparation of 2- and 4-(2-alkylcarbamoyl-1-methylvinyl)-7-alkyloxybenzo[b]furans having potent antagonistic activity against human leukotriene B4 BLT1 and/or BLT2 receptors
Organic & Biomolecular Chemistry, 2004, 2, 3427-3431
7153540 CIFC17 H19 N O4P 1 21/a 17.309; 15.546; 13.8909
90; 104.34; 90
1529.2Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kunitomo, Jun-ichi; Yamashita, Masayuki; Ohta, Shunsaku; Nabe, Takeshi; Kohno, Shigekatsu; Yokomizo, Takehiko; Shimizu, Takao; Ohishi, Yoshitaka
Preparation of 2- and 4-(2-alkylcarbamoyl-1-methylvinyl)-7-alkyloxybenzo[b]furans having potent antagonistic activity against human leukotriene B4 BLT1 and/or BLT2 receptors
Organic & Biomolecular Chemistry, 2004, 2, 3427-3431
7153541 CIFC44 H70 F12 N8 O12 P2P -110.818; 11.701; 12.827
105.1; 101.25; 115.44
1325Cruz, Carla; Delgado, Rita; Drew, Michael G. B.; F�lix, V�tor
Supramolecular aggregates between carboxylate anions and an octaaza macrocyclic receptor
Organic & Biomolecular Chemistry, 2004, 2, 2911-2918
7153542 CIFC56 H78 F12 N8 O12 P2P 1 21/c 18.04; 28.57; 13.42
90; 93.41; 90
3077Cruz, Carla; Delgado, Rita; Drew, Michael G. B.; F�lix, V�tor
Supramolecular aggregates between carboxylate anions and an octaaza macrocyclic receptor
Organic & Biomolecular Chemistry, 2004, 2, 2911-2918
7153543 CIFC68 H62 N4P -110.785; 14.2; 17.438
94.857; 102.039; 90.567
2601.4Shen, Zhen; Uno, Hidemitsu; Shimizu, Yusuke; Ono, Noboru
Controlling conformations and physical properties of meso-tetrakis(phenylethynyl)porphyrins by ring fusion: synthesis, properties and structural characterizations
Organic & Biomolecular Chemistry, 2004, 2, 3442-3447
7153544 CIFC78 H60 N4 O2 ZnC 1 2/c 130.864; 11.647; 18.709
90; 117.893; 90
5944Shen, Zhen; Uno, Hidemitsu; Shimizu, Yusuke; Ono, Noboru
Controlling conformations and physical properties of meso-tetrakis(phenylethynyl)porphyrins by ring fusion: synthesis, properties and structural characterizations
Organic & Biomolecular Chemistry, 2004, 2, 3442-3447
7153545 CIFC74 H42 Cl3 N5 ZnP -112.6459; 15.6657; 16.2904
92.816; 111.014; 109.678
2783.2Shen, Zhen; Uno, Hidemitsu; Shimizu, Yusuke; Ono, Noboru
Controlling conformations and physical properties of meso-tetrakis(phenylethynyl)porphyrins by ring fusion: synthesis, properties and structural characterizations
Organic & Biomolecular Chemistry, 2004, 2, 3442-3447
7153546 CIFC24 H18 O2P c a 217.7959; 20.639; 11.0953
90; 90; 90
1785.2Pathak, Rakhi; Vandayar, Kantharuby; van Otterlo, Willem A. L.; Michael, Joseph P.; Fernandes, Manuel A.; de Koning, Charles B.
The synthesis of angularly fused polyaromatic compounds by using a light-assisted, base-mediated cyclization reaction
Organic & Biomolecular Chemistry, 2004, 2, 3504-3509
7203907 CIFC18 H16 O3P 1 21/n 16.9104; 15.8694; 13.2342
90; 103.602; 90
1410.61Raston, Colin L.; Scott, Janet L.
Chemoselective, solvent-free aldol condensation reaction
Green Chemistry, 2000, 2, 49
7203908 CIFC18 H14 OP -17.272; 7.5704; 12.3802
77.14; 89.263; 69.134
619.23Raston, Colin L.; Scott, Janet L.
Chemoselective, solvent-free aldol condensation reaction
Green Chemistry, 2000, 2, 49
7203909 CIFC21 H20 OP 1 21/c 112.2718; 7.8706; 16.1076
90; 102.299; 90
1520.07Raston, Colin L.; Scott, Janet L.
Chemoselective, solvent-free aldol condensation reaction
Green Chemistry, 2000, 2, 49

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