Crystallography Open Database

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7151138 CIFC42 H54 B2 F8 N6 O12P -18.9189; 11.0803; 12.0622
81.66; 79.928; 77.557
1138.93Castillo, Dolores; Astudillo, Pablo; Mares, Jennifer; González, Felipe J; Vela, Alberto; Tiburcio, Jorge
Chemically controlled self-assembly of [2]pseudorotaxanes based on 1,2-bis(benzimidazolium)ethane cations and 24-crown-8 macrocycles.
Organic & biomolecular chemistry, 2007, 5, 2252-2256
7151139 CIFC19 H21 N O6P b c n14.913; 15.95; 14.25
90; 90; 90
3389.5Boyd, Derek R.; Sharma, Narain D.; Loke, Pui L.; Malone, John F.; McRoberts, W. Colin; Hamilton, John T. G.
Synthesis, structure and stereochemistry of quinoline alkaloids from Choisya ternata.
Organic & biomolecular chemistry, 2007, 5, 2983-2991
7151140 CIFC18 H20 Cl N O5P 17.3052; 13.9881; 17.435
70.603; 87.747; 84.239
1672Boyd, Derek R.; Sharma, Narain D.; Loke, Pui L.; Malone, John F.; McRoberts, W. Colin; Hamilton, John T. G.
Synthesis, structure and stereochemistry of quinoline alkaloids from Choisya ternata.
Organic & biomolecular chemistry, 2007, 5, 2983-2991
7151141 CIFC11 H12 O4P 1 21/c 16.9224; 13.7063; 10.2746
90; 99.149; 90
962.46Goh, Yit Wooi; White, Jonathan M.
Structures of oxygenated cyclohexa-1,3-diene-maleic anyhydride cycloadducts. Structural evidence suggests a stepwise retro-Diels-Alder reaction.
Organic & biomolecular chemistry, 2007, 5, 2354-2356
7151142 CIFC12 H14 O5P 1 21/c 17.6323; 8.5174; 17.502
90; 97.041; 90
1129.2Goh, Yit Wooi; White, Jonathan M.
Structures of oxygenated cyclohexa-1,3-diene-maleic anyhydride cycloadducts. Structural evidence suggests a stepwise retro-Diels-Alder reaction.
Organic & biomolecular chemistry, 2007, 5, 2354-2356
7151143 CIFC11 H17 N O3C m c 219.304; 8.6876; 12.6963
90; 90; 90
1026.23Goh, Yit Wooi; White, Jonathan M.
Structures of oxygenated cyclohexa-1,3-diene-maleic anyhydride cycloadducts. Structural evidence suggests a stepwise retro-Diels-Alder reaction.
Organic & biomolecular chemistry, 2007, 5, 2354-2356
7151144 CIFC26 H34 N2 O3P 1 21 114.118; 6.1198; 14.4072
90; 108.441; 90
1180.85Beddow, James E.; Davies, Stephen G.; Ling, Kenneth B.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E.
Asymmetric synthesis of beta2-amino acids: 2-substituted-3-aminopropanoic acids from N-acryloyl SuperQuat derivatives.
Organic & biomolecular chemistry, 2007, 5, 2812-2825
7151145 CIFC32 H38 N2 O4P 21 21 218.6876; 14.8422; 22.3552
90; 90; 90
2882.55Beddow, James E.; Davies, Stephen G.; Ling, Kenneth B.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E.
Asymmetric synthesis of beta2-amino acids: 2-substituted-3-aminopropanoic acids from N-acryloyl SuperQuat derivatives.
Organic & biomolecular chemistry, 2007, 5, 2812-2825
7151146 CIFC29 H40 N2 O4P 21 21 2111.5661; 12.049; 20.5677
90; 90; 90
2866.31Beddow, James E.; Davies, Stephen G.; Ling, Kenneth B.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E.
Asymmetric synthesis of beta2-amino acids: 2-substituted-3-aminopropanoic acids from N-acryloyl SuperQuat derivatives.
Organic & biomolecular chemistry, 2007, 5, 2812-2825
7151147 CIFC22 H31 N O6 SP 1 21/a 110.2895; 10.2232; 22.4956
90; 94.284; 90
2359.7Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S.
Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes.
Organic & biomolecular chemistry, 2007, 5, 2925-2931
7151148 CIFC27 H35 N O10 SP 1 21/c 111.0618; 17.0577; 16.0387
90; 105.509; 90
2916.13Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S.
Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes.
Organic & biomolecular chemistry, 2007, 5, 2925-2931
7151149 CIFC17 H23 N O4 SP 1 21/a 16.1394; 21.563; 13.0265
90; 102.48; 90
1683.8Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S.
Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes.
Organic & biomolecular chemistry, 2007, 5, 2925-2931
7151150 CIFC16 H21 N O4 SP 1 21/n 17.6072; 12.0948; 17.8368
90; 96.33; 90
1631.12Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S.
Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes.
Organic & biomolecular chemistry, 2007, 5, 2925-2931
7151151 CIFC21 H27 Cl3 N2 O5 SP -16.0833; 9.5865; 22.1903
81.993; 86.709; 78.059
1253.19Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S.
Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes.
Organic & biomolecular chemistry, 2007, 5, 2925-2931
7151152 CIFC25 H24 O4P 1 21/a 113.9345; 8.792; 16.3108
90; 96.0142; 90
1987.27Tripoli, Regis; Cayzer, Tory N.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.
Stereocontrol of intramolecular Diels‒Alder reactions by an allylic diphenylcyclopropyl group
Organic & Biomolecular Chemistry, 2007, 5, 2606
7151153 CIFC27 H26 O6P b c a15.0402; 15.3235; 19.7863
90; 90; 90
4560.12Tripoli, Regis; Cayzer, Tory N.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.
Stereocontrol of intramolecular Diels‒Alder reactions by an allylic diphenylcyclopropyl group
Organic & Biomolecular Chemistry, 2007, 5, 2606
7151154 CIFC25 H24 O4P 1 21 111.019; 7.6264; 12.1306
90; 91.3965; 90
1019.1Tripoli, Regis; Cayzer, Tory N.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.
Stereocontrol of intramolecular Diels‒Alder reactions by an allylic diphenylcyclopropyl group
Organic & Biomolecular Chemistry, 2007, 5, 2606
7151155 CIFC11 H15 Cl2 N O2P 1 21 17.3431; 6.158; 14.2504
90; 90.828; 90
644.32Spiess, Stephanie; Berthold, Carola; Weihofen, Robert; Helmchen, Günter
Synthesis of alpha,beta-unsaturated gamma-lactams via asymmetric iridium-catalysed allylic substitution.
Organic & biomolecular chemistry, 2007, 5, 2357-2360
7151156 CIFC22 H17 Cu N5 O6P 1 21/c 112.996; 9.9631; 17.8565
90; 116.763; 90
2064.4Bertrand, Hélène; Monchaud, David; De Cian, Anne; Guillot, Régis; Mergny, Jean-Louis; Teulade-Fichou, Marie-Paule
The importance of metal geometry in the recognition of G-quadruplex-DNA by metal-terpyridine complexes
Organic & Biomolecular Chemistry, 2007, 5, 2555
7151157 CIFC15 H17 N3 O2P -17.6411; 8.4172; 12.521
71.402; 85.487; 63.189
679.18Kumarn, Sirirat; Oelke, Alexander J.; Shaw, David M.; Longbottom, Deborah A.; Ley, Steven V.
A sequential enantioselective, organocatalytic route to chiral 1,2-oxazines and chiral pyridazines
Organic & Biomolecular Chemistry, 2007, 5, 2678
7151158 CIFC20 H24 Cl3 N O5 SP 1 21/c 110.716; 20.066; 10.835
90; 91.767; 90
2328.7Baylis, Alison M.; Davies, Michael P. H.; Thomas, Eric J.
Synthetic approaches to the polycyclic alkaloid stemofoline.
Organic & biomolecular chemistry, 2007, 5, 3139-3155
7151159 CIFC12 H12 Br N O2 SP b c n16.5525; 10.1393; 14.0826
90; 90; 90
2363.49Harling, John D.; Steel, Patrick G.; Woods, Tom M.; Yufit, Dmitry S.
One-pot synthesis of benzothiazolines and napthathiazolines via cascade ortho-lithiation, cyclisation and elimination of N-arylsulfonyl lactams.
Organic & biomolecular chemistry, 2007, 5, 3472-3476
7151160 CIFC28 H23 N7 O3P 110.79; 10.8; 13.163
96.79; 106; 105.9
1386.6Vrábel, Milan; Pohl, Radek; Klepetárová, Blanka; Votruba, Ivan; Hocek, Michal
Synthesis of 2'-deoxyadenosine nucleosides bearing bipyridine-type ligands and their Ru-complexes in position 8 through cross-coupling reactions.
Organic & biomolecular chemistry, 2007, 5, 2849-2857
7151161 CIFC48 H38 F12 N11 O3 P2 Ru2P 113.291; 13.669; 16.242
89.02; 71.32; 89.82
2794.9Vrábel, Milan; Pohl, Radek; Klepetárová, Blanka; Votruba, Ivan; Hocek, Michal
Synthesis of 2'-deoxyadenosine nucleosides bearing bipyridine-type ligands and their Ru-complexes in position 8 through cross-coupling reactions.
Organic & biomolecular chemistry, 2007, 5, 2849-2857
7151162 CIFC20 H30 O2P 1 21/c 116.9623; 9.9591; 11.0721
90; 96.287; 90
1859.15Hughes, Nicholas J.; Pullin, Robert D. C.; Sanganee, Mahesh J.; Sellars, Jonathan D.; Steel, Patrick G.; Turner, Michael J.
Hosomi-Sakurai reactions of silacyclohexenes.
Organic & biomolecular chemistry, 2007, 5, 2841-2848
7151163 CIFC15 H20 O4 S5P 21 21 219.3614; 10.3321; 20.0889
90; 90; 90
1943.1Brown, R. James; Brooks, Andrew C.; Griffiths, Jon-Paul; Vital, Betrand; Day, Peter; Wallis, John D.
Synthesis of bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) derivatives functionalised with two, four or eight hydroxyl groups.
Organic & biomolecular chemistry, 2007, 5, 3172-3182
7151164 CIFC12 H13 N O3 SP 1 21 19.243; 5.497; 12.258
90; 95.177; 90
620.3Evans, Lyndsay Ann; Adams, Harry; Barber, Christopher G.; Caggiano, Lorenzo; Jackson, Richard F. W.
Stereoselective synthesis of 2,3-difunctionalised thioesters using nucleophilic epoxidation of 1-arylthio-1-nitroalkenes.
Organic & biomolecular chemistry, 2007, 5, 3156-3163
7151165 CIFC12 H12 O4 SP 21 21 217.5636; 10.4554; 15.375
90; 90; 90
1215.9Evans, Lyndsay Ann; Adams, Harry; Barber, Christopher G.; Caggiano, Lorenzo; Jackson, Richard F. W.
Stereoselective synthesis of 2,3-difunctionalised thioesters using nucleophilic epoxidation of 1-arylthio-1-nitroalkenes.
Organic & biomolecular chemistry, 2007, 5, 3156-3163
7151166 CIFC16 H22 Br N O3 SP 1 21 18.587; 5.2659; 19.647
90; 95.641; 90
884.1Evans, Lyndsay Ann; Adams, Harry; Barber, Christopher G.; Caggiano, Lorenzo; Jackson, Richard F. W.
Stereoselective synthesis of 2,3-difunctionalised thioesters using nucleophilic epoxidation of 1-arylthio-1-nitroalkenes.
Organic & biomolecular chemistry, 2007, 5, 3156-3163
7151167 CIFC12 H13 N O3 SP 1 21 15.249; 5.794; 20.357
90; 94.212; 90
617.4Evans, Lyndsay Ann; Adams, Harry; Barber, Christopher G.; Caggiano, Lorenzo; Jackson, Richard F. W.
Stereoselective synthesis of 2,3-difunctionalised thioesters using nucleophilic epoxidation of 1-arylthio-1-nitroalkenes.
Organic & biomolecular chemistry, 2007, 5, 3156-3163
7151168 CIFC13 H15 I N4 OP 1 21/n 17.4415; 21.445; 8.9163
90; 104.154; 90
1379.7Pérez-Castro, Isabel; Caamaño, Olga; Fernández, Franco; García, Marcos D; López, Carmen; De Clercq, Erik
Synthesis of 4-substituted-1,2,3-triazole carbanucleoside analogues of ribavirin via click chemistry.
Organic & biomolecular chemistry, 2007, 5, 3805-3813
7151169 CIFC44 H56 N8 O8P 1 21/a 111.0274; 8.9869; 21.255
90; 91.304; 90
2105.87Wilson, Jennifer M.; Giordani, Federica; Farrugia, Louis J.; Barrett, Michael P.; Robins, David J.; Sutherland, Andrew
Synthesis, characterisation and anti-protozoal activity of carbamate-derived polyazamacrocycles.
Organic & biomolecular chemistry, 2007, 5, 3651-3656
7151170 CIFC42 H34 Cl2 N2 O6 P2 PtP 21 21 2111.1024; 13.8168; 26.9261
90; 90; 90
4130.5Eberhardt, Luc; Armspach, Dominique; Matt, Dominique; Oswald, Benoît; Toupet, Loic
Efficient asymmetric hydrogenation of olefins with hydrazine-derived diphosphoramidites.
Organic & biomolecular chemistry, 2007, 5, 3340-3346
7151171 CIFC14 H12 Cl N2 O2.5 SeP -17.944; 9.7; 11.001
81.649; 74.131; 67.241
751.2Kuzma, Dusan; Parvez, Masood; Back, Thomas George
Formation of a spirodiazaselenurane and its corresponding azaselenonium derivatives from the oxidation of 2,2'-selenobis(benzamide). Structure, properties and glutathione peroxidase activity.
Organic & biomolecular chemistry, 2007, 5, 3213-3217
7151172 CIFC14 H18 N2 O6 SeP 1 21 14.554; 18.386; 9.912
90; 102.57; 90
810Kuzma, Dusan; Parvez, Masood; Back, Thomas George
Formation of a spirodiazaselenurane and its corresponding azaselenonium derivatives from the oxidation of 2,2'-selenobis(benzamide). Structure, properties and glutathione peroxidase activity.
Organic & biomolecular chemistry, 2007, 5, 3213-3217
7151173 CIFC21 H24 N2 OP 1 21 112.3636; 5.2242; 13.3704
90; 97.482; 90
856.24Mikata, Yuji; Aida, Shiho; Inaba, Yoko; Yano, Shigenobu
Consideration of molecular arrangements in regio- and enantioselective reduction of an NAD model compound controlled by carbonyl oxygen orientation.
Organic & biomolecular chemistry, 2007, 5, 3834-3841
7151174 CIFC21 H24 N2 OP 21 21 215.3478; 13.519; 23.99
90; 90; 90
1734.4Mikata, Yuji; Aida, Shiho; Inaba, Yoko; Yano, Shigenobu
Consideration of molecular arrangements in regio- and enantioselective reduction of an NAD model compound controlled by carbonyl oxygen orientation.
Organic & biomolecular chemistry, 2007, 5, 3834-3841
7151175 CIFC10 H11 Fe N O4P b c a11.3721; 9.835; 20.671
90; 90; 90
2311.9Williams, Iwan; Reeves, Keith; Kariuki, Benson M.; Cox, Liam R.
Stereoselective synthesis of 2-dienyl-substituted piperidines using an eta4-dienetricarbonyliron complex as the stereocontrolling element in a double reductive amination cascade.
Organic & biomolecular chemistry, 2007, 5, 3325-3329
7151176 CIFC17 H22 Br Fe N O3P -17.6829; 10.9941; 12.0958
69.757; 78.689; 89.592
937.92Williams, Iwan; Reeves, Keith; Kariuki, Benson M.; Cox, Liam R.
Stereoselective synthesis of 2-dienyl-substituted piperidines using an eta4-dienetricarbonyliron complex as the stereocontrolling element in a double reductive amination cascade.
Organic & biomolecular chemistry, 2007, 5, 3325-3329
7151177 CIFC15 H22 F3 N O6 S2P 41 21 29.905; 9.905; 39.488
90; 90; 90
3874.1Chen, Yue-Lei; Redlich, Hartmut; Bergander, Klaus; Fröhlich, Roland
D-glucosamine trimethylene dithioacetal derivatives: formation of six- and seven-membered ring amino carbasugars. Synthesis of (-)-calystegine B3.
Organic & biomolecular chemistry, 2007, 5, 3330-3339
7151178 CIFC10 H14 O3P 21 c n7.119; 10.6793; 12.0216
90; 90; 90
913.95Davies, Stephen G.; Russell, Angela J.; Sheppard, Ruth L.; Smith, Andrew D.; Thomson, James E.
Evaluating beta-amino acids as enantioselective organocatalysts of the Hajos-Parrish-Eder-Sauer-Wiechert reaction.
Organic & biomolecular chemistry, 2007, 5, 3190-3200
7151179 CIFC11 H16 O3P 1 21/c 16.9811; 7.5933; 19.5994
90; 94.874; 90
1035.2Davies, Stephen G.; Russell, Angela J.; Sheppard, Ruth L.; Smith, Andrew D.; Thomson, James E.
Evaluating beta-amino acids as enantioselective organocatalysts of the Hajos-Parrish-Eder-Sauer-Wiechert reaction.
Organic & biomolecular chemistry, 2007, 5, 3190-3200
7151180 CIFC6 H9 Br O5P 1 21/c 111.412; 5.887; 12.379
90; 93.337; 90
830.24Pirinççioğlu, Necmettin; Robinson, James J.; Mahon, Mary F.; Buchanan, J. Grant; Williams, Ian H.
Experimental and computational evidence for alpha-lactone intermediates in the addition of aqueous bromine to disodium dimethyl-maleate and -fumarate.
Organic & biomolecular chemistry, 2007, 5, 4001-4009
7151181 CIFC6 H10 Br O6P -16.239; 7.228; 11.171
85.342; 82.801; 69.105
466.56Pirinççioğlu, Necmettin; Robinson, James J.; Mahon, Mary F.; Buchanan, J. Grant; Williams, Ian H.
Experimental and computational evidence for alpha-lactone intermediates in the addition of aqueous bromine to disodium dimethyl-maleate and -fumarate.
Organic & biomolecular chemistry, 2007, 5, 4001-4009
7151182 CIFC13 H16 N2 O5 SP 21 21 217.7577; 17.7377; 20.872
90; 90; 90
2872.1Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip
Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors.
Organic & biomolecular chemistry, 2007, 5, 3544-3553
7151183 CIFC13 H16 N2 O5 SP 1 21 111.501; 6.2268; 19.785
90; 91.192; 90
1416.6Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip
Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors.
Organic & biomolecular chemistry, 2007, 5, 3544-3553
7151184 CIFC12 H16 Br N O4 SP 21 21 217.5443; 10.6588; 17.4366
90; 90; 90
1402.1Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip
Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors.
Organic & biomolecular chemistry, 2007, 5, 3544-3553
7151185 CIFC12 H16 N4 O4 SP 1 21 17.539; 17.643; 11.223
90; 100.446; 90
1468Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip
Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors.
Organic & biomolecular chemistry, 2007, 5, 3544-3553
7151186 CIFC13 H15 N2 O5 SP 21 21 215.6923; 15.7807; 33.089
90; 90; 90
2972.3Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip
Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors.
Organic & biomolecular chemistry, 2007, 5, 3544-3553
7151187 CIFC14 H14 O6 S2P 1 21/c 15.098; 14.076; 20.831
90; 92.82; 90
1493Hergué, Noémie; Frère, Pierre
Synthesis of 3,4-alkoxythieno[2,3-b]thiophene derivatives. The first block copolymer associating the 3,4-ethylenedioxythieno[2,3-b]thiophene (EDOThT) unit with 3,4-ethylenedioxythiophene (EDOT) moieties.
Organic & biomolecular chemistry, 2007, 5, 3442-3449

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