Crystallography Open Database

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7150029 CIFC27 H20 O SP 21 21 216.4273; 15.6636; 18.992
90; 90; 90
1912.01ter Wiel, Matthijs K. J.; Vicario, Javier; Davey, Stephen G.; Meetsma, Auke; Feringa, Ben L.
New procedure for the preparation of highly sterically hindered alkenes using a hypervalent iodine reagent.
Organic & biomolecular chemistry, 2005, 3, 28-30
7150030 CIFC11 H14 O2 SP 1 21/n 110.5744; 9.1217; 11.7111
90; 115.825; 90
1016.8Bedford, Simon T.; Grainger, Richard S.; Steed, Jonathan W.; Tisselli, Patrizia
Stereoselective synthesis of 2,5-disubstituted-1,4-oxathiane S-oxides.
Organic & biomolecular chemistry, 2005, 3, 404-406
7150031 CIFC11 H14 O2 SP 1 21 17.5387; 6; 11.4544
90; 91.308; 90
517.97Bedford, Simon T.; Grainger, Richard S.; Steed, Jonathan W.; Tisselli, Patrizia
Stereoselective synthesis of 2,5-disubstituted-1,4-oxathiane S-oxides.
Organic & biomolecular chemistry, 2005, 3, 404-406
7150032 CIFC12 H19 N O2 SI 41/a :220.9699; 20.9699; 11.2756
90; 90; 90
4958.3Bedford, Simon T.; Grainger, Richard S.; Steed, Jonathan W.; Tisselli, Patrizia
Stereoselective synthesis of 2,5-disubstituted-1,4-oxathiane S-oxides.
Organic & biomolecular chemistry, 2005, 3, 404-406
7150033 CIFC8 H12 N2 O5P -17.4377; 8.3035; 9.2515
73.265; 67.994; 71.219
492.34Hibbs, David E.; Overgaard, Jacob; Howard, Siân T; Nguyen, Thanh Ha
Experimental charge density of a potential DHO synthetase inhibitor: dimethyl-trans-2-oxohexahydro-pyrimidine-4,6-dicarboxylate.
Organic & biomolecular chemistry, 2005, 3, 441-447
7150034 CIFC12 H13 I O2P 21 21 216.6491; 6.8227; 25.8973
90; 90; 90
1174.83Allin, Steven M.; Essat, Munira; Pita, Catarina Horro; Baird, Robert D.; McKee, Vickie; Elsegood, Mark; Edgar, Mark; Andrews, David M.; Shah, Pritom; Aspinall, Ian
Applications of the amino-Cope rearrangement: synthesis of tetrahydropyran, delta-lactone and piperidine targets.
Organic & biomolecular chemistry, 2005, 3, 809-815
7150035 CIFC21 H25 N OP 21 21 214.9818; 9.4157; 37.792
90; 90; 90
1772.7Allin, Steven M.; Essat, Munira; Pita, Catarina Horro; Baird, Robert D.; McKee, Vickie; Elsegood, Mark; Edgar, Mark; Andrews, David M.; Shah, Pritom; Aspinall, Ian
Applications of the amino-Cope rearrangement: synthesis of tetrahydropyran, delta-lactone and piperidine targets.
Organic & biomolecular chemistry, 2005, 3, 809-815
7150036 CIFC19 H30 N O8 P SP 1 21 17.997; 12.221; 11.812
90; 100.647; 90
1134.5Kjaersgaard, Anne; Jørgensen, Karl Anker
Catalytic asymmetric addition of beta-keto phosphonates to an activated imine‒formation of optically active functionalized phosphonate alpha-amino acid derivatives.
Organic & biomolecular chemistry, 2005, 3, 804-808
7150037 CIFC24 H21 O3P -18.3773; 9.1657; 12.7261
94.81; 96.374; 108.948
910.99Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin
Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.
Organic & biomolecular chemistry, 2005, 3, 1319-1322
7150038 CIFC24 H21 O3P -18.3762; 9.1588; 12.7193
94.893; 96.401; 108.872
909.89Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin
Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.
Organic & biomolecular chemistry, 2005, 3, 1319-1322
7150039 CIFC23 H19 O3P -18.3719; 9.1093; 12.6935
97.482; 103.946; 109.425
862.3Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin
Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.
Organic & biomolecular chemistry, 2005, 3, 1319-1322
7150040 CIFC23 H19 O3P -18.3763; 9.0965; 12.6943
97.485; 104.164; 109.388
860.68Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin
Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.
Organic & biomolecular chemistry, 2005, 3, 1319-1322
7150041 CIFC23 H19 O3P -18.3757; 9.1004; 12.6928
97.541; 104.053; 109.405
861.14Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin
Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.
Organic & biomolecular chemistry, 2005, 3, 1319-1322
7150042 CIFC24 H21 O3P -18.3654; 9.0652; 12.873
96.696; 94.048; 109.717
906.38Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin
Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.
Organic & biomolecular chemistry, 2005, 3, 1319-1322
7150043 CIFC24 H21 O3P -18.4902; 9.1923; 12.9946
95.62; 94.84; 109.66
942.97Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin
Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.
Organic & biomolecular chemistry, 2005, 3, 1319-1322
7150044 CIFC48 H42 O6P -18.415; 18.2852; 12.7741
95.637; 94.919; 109.717
1826.48Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin
Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.
Organic & biomolecular chemistry, 2005, 3, 1319-1322
7150045 CIFC35 H36 N2 O4P 1 21 110.197; 16.139; 10.043
90; 114.16; 90
1508Kawabata, Takeo; Majumdar, Swapan; Tsubaki, Kazunori; Monguchi, Daiki
Memory of chirality in intramolecular conjugate addition of enolates: a novel access to nitrogen heterocycles with contiguous quaternary and tertiary stereocenters.
Organic & biomolecular chemistry, 2005, 3, 1609-1611
7150046 CIFC18 H12 N2P 1 21/n 18.964; 6.265; 11.241
90; 107.109; 90
603.4Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.
Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.
Organic & biomolecular chemistry, 2005, 3, 498-502
7150047 CIFC16 H10 N4P 1 21/n 18.557; 6.33; 11.841
90; 106.689; 90
614.4Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.
Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.
Organic & biomolecular chemistry, 2005, 3, 498-502
7150048 CIFC16 H10 N4P 1 21/n 15.779; 5.35; 18.906
90; 91.466; 90
584.3Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.
Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.
Organic & biomolecular chemistry, 2005, 3, 498-502
7150049 CIFC16 H10 N4C 1 2 122.523; 3.912; 6.979
90; 106.14; 90
590.7Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.
Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.
Organic & biomolecular chemistry, 2005, 3, 498-502
7150050 CIFC14 H8 N2 O2P 1 21/n 14.627; 16.48; 7.004
90; 94.34; 90
532.54Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.
Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.
Organic & biomolecular chemistry, 2005, 3, 498-502
7150051 CIFC14 H8 N2 S2P 1 21/c 18.993; 5.988; 11.445
90; 110.87; 90
575.88Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.
Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.
Organic & biomolecular chemistry, 2005, 3, 498-502
7150052 CIFC12 H8 N6P 21 21 217.277; 7.639; 19.94
90; 90; 90
1108.4Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.
Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.
Organic & biomolecular chemistry, 2005, 3, 498-502
7150053 CIFC29 H50 O11P 1 21 113.3374; 7.6406; 15.5158
90; 98.311; 90
1564.5Okuzumi, Keiko; Hara, Noriyuki; Uekusa, Hidehiro; Fujimoto, Yoshinori
Structure elucidation of cyasterone stereoisomers isolated from Cyathula officinalis.
Organic & biomolecular chemistry, 2005, 3, 1227-1232
7150054 CIFC32 H56 O11P 1 21 113.6542; 7.7755; 15.7636
90; 100.215; 90
1647.1Okuzumi, Keiko; Hara, Noriyuki; Uekusa, Hidehiro; Fujimoto, Yoshinori
Structure elucidation of cyasterone stereoisomers isolated from Cyathula officinalis.
Organic & biomolecular chemistry, 2005, 3, 1227-1232
7150055 CIFC23 H19 N3 O2 SP c a 2122.845; 11.858; 7.188
90; 90; 90
1947.2Bogza, Sergei L.; Kobrakov, Konstantin I.; Malienko, Anna A.; Perepichka, Igor F.; Sujkov, Sergei Yu; Bryce, Martin R.; Lyubchik, Svetlana B.; Batsanov, Andrei S.; Bogdan, Natalya M.
A versatile synthesis of pyrazolo[3,4-c]isoquinoline derivatives by reaction of 4-aryl-5-aminopyrazoles with aryl/heteroaryl aldehydes: the effect of the heterocycle on the reaction pathways.
Organic & biomolecular chemistry, 2005, 3, 932-940
7150056 CIFC21 H20 N4 O2P -17.086; 10.791; 12.85
104.16; 105.87; 95.86
901.2Bogza, Sergei L.; Kobrakov, Konstantin I.; Malienko, Anna A.; Perepichka, Igor F.; Sujkov, Sergei Yu; Bryce, Martin R.; Lyubchik, Svetlana B.; Batsanov, Andrei S.; Bogdan, Natalya M.
A versatile synthesis of pyrazolo[3,4-c]isoquinoline derivatives by reaction of 4-aryl-5-aminopyrazoles with aryl/heteroaryl aldehydes: the effect of the heterocycle on the reaction pathways.
Organic & biomolecular chemistry, 2005, 3, 932-940
7150057 CIFC35 H34 N4 O2P -18.944; 12.945; 13.918
64.13; 73.04; 81
1386.1Bogza, Sergei L.; Kobrakov, Konstantin I.; Malienko, Anna A.; Perepichka, Igor F.; Sujkov, Sergei Yu; Bryce, Martin R.; Lyubchik, Svetlana B.; Batsanov, Andrei S.; Bogdan, Natalya M.
A versatile synthesis of pyrazolo[3,4-c]isoquinoline derivatives by reaction of 4-aryl-5-aminopyrazoles with aryl/heteroaryl aldehydes: the effect of the heterocycle on the reaction pathways.
Organic & biomolecular chemistry, 2005, 3, 932-940
7150058 CIFC40 H36 O2P 21 21 2110.113; 10.206; 29.277
90; 90; 90
3021.8Huang, Jin-Wen; Shi, Min
Carbolithiation of gem-aryl disubstituted methylenecyclopropanes.
Organic & biomolecular chemistry, 2005, 3, 399-400
7150059 CIFC17 H16 O2C 1 2/c 119.3595; 8.8441; 16.7833
90; 115.701; 90
2589.3Foot, Jonathan S.; Giblin, Gerard M. P.; Whitwood, A. C.; Taylor, R. J. K.
Unexpected Z-stereoselectivity in the Ramberg-Bäcklund reaction of diarylsulfones leading to cis-stilbenes: the effect of aryl substituents and application in the synthesis of the integrastatin nucleus.
Organic & biomolecular chemistry, 2005, 3, 756-763
7150060 CIFC17 H14 O3P -19.2508; 9.313; 15.5363
100.325; 90.36; 99.592
1297.5Foot, Jonathan S.; Giblin, Gerard M. P.; Whitwood, A. C.; Taylor, R. J. K.
Unexpected Z-stereoselectivity in the Ramberg-Bäcklund reaction of diarylsulfones leading to cis-stilbenes: the effect of aryl substituents and application in the synthesis of the integrastatin nucleus.
Organic & biomolecular chemistry, 2005, 3, 756-763
7150061 CIFC9 H12 N6 O4P 32 2 19.7754; 9.7754; 20.3627
90; 90; 120
1685.1Lin, Wenqing; Li, Hong; Ming, Xin; Seela, Frank
1,N6-Etheno-7-deaza-2,8-diazaadenosine: syntheses, properties and conversion to 7-deaza-2,8-diazaadenosine.
Organic & biomolecular chemistry, 2005, 3, 1714-1718
7150062 CIFC18 H22 O4P 1 21 110.0036; 27.0011; 12.1811
90; 95.159; 90
3276.9Lemiègre, Loïc; Stevens, Richard L.; Combret, Jean-Claude; Maddaluno, Jacques
Ring fission of chiral cyclic acetals plus intramolecular [4 + 2] cycloaddition: a sequential access to medium-size lactones. Application to the synthesis of carbasugars.
Organic & biomolecular chemistry, 2005, 3, 1308-1318
7150063 CIFC22 H18 Br N3 OP -19.3969; 10.5034; 10.5516
71.075; 88.902; 81.541
973.97Simůnek, Petr; Bertolasi, Valerio; Pesková, Markéta; Machácek, Vladimír; Lycka, Antonín
Solution and solid state structure and tautomerism of azo coupled enaminone derivatives of benzoylacetone.
Organic & biomolecular chemistry, 2005, 3, 1217-1226
7150064 CIFC21.5 H24 N4 OC 1 2/c 125.8225; 10.7493; 15.627
90; 117.694; 90
3840.74Simůnek, Petr; Bertolasi, Valerio; Pesková, Markéta; Machácek, Vladimír; Lycka, Antonín
Solution and solid state structure and tautomerism of azo coupled enaminone derivatives of benzoylacetone.
Organic & biomolecular chemistry, 2005, 3, 1217-1226
7150065 CIFC17 H17 N3 OP 1 21/n 15.7502; 29.873; 9.1184
90; 101.11; 90
1536.97Simůnek, Petr; Bertolasi, Valerio; Pesková, Markéta; Machácek, Vladimír; Lycka, Antonín
Solution and solid state structure and tautomerism of azo coupled enaminone derivatives of benzoylacetone.
Organic & biomolecular chemistry, 2005, 3, 1217-1226
7150066 CIFC41 H56 Cu N4 O6P 21 21 2111.48; 12.8012; 28.1994
90; 90; 90
4144.1Gottschaldt, Michael; Koth, Daniel; Görls, Helmar
Synthesis and crystal structure of a salen-type copper(II) complex derived from 3,5'-O-dimethyl-2',3'-diamino-2',3'-dideoxy-beta-D-xylo-uridine.
Organic & biomolecular chemistry, 2005, 3, 1170-1171
7150067 CIFC19 H33 N O6P 21 21 215.7388; 9.4909; 38.243
90; 90; 90
2082.96Woodhall, Thomas; Williams, Gavin; Berry, Alan; Nelson, Adam
Synthesis of screening substrates for the directed evolution of sialic acid aldolase: towards tailored enzymes for the preparation of influenza A sialidase inhibitor analogues.
Organic & biomolecular chemistry, 2005, 3, 1795-1800
7150068 CIFC17 H31 N O7P 1 21 18.7774; 8.3066; 13.4961
90; 96.211; 90
978.23Woodhall, Thomas; Williams, Gavin; Berry, Alan; Nelson, Adam
Synthesis of screening substrates for the directed evolution of sialic acid aldolase: towards tailored enzymes for the preparation of influenza A sialidase inhibitor analogues.
Organic & biomolecular chemistry, 2005, 3, 1795-1800
7150069 CIFC13 H16 S5P 1 21 16.3217; 13.4551; 17.512
90; 93.06; 90
1487.43Griffiths, Jon-Paul; Nie, Hui; Brown, R. James; Day, Peter; Wallis, John D.
Synthetic strategies to chiral organosulfur donors related to bis(ethylenedithio)tetrathiafulvalene.
Organic & biomolecular chemistry, 2005, 3, 2155-2166
7150070 CIFC13 H16 S5P 1 21 17.2322; 9.3635; 11.3961
90; 106.405; 90
740.31Griffiths, Jon-Paul; Nie, Hui; Brown, R. James; Day, Peter; Wallis, John D.
Synthetic strategies to chiral organosulfur donors related to bis(ethylenedithio)tetrathiafulvalene.
Organic & biomolecular chemistry, 2005, 3, 2155-2166
7150071 CIFC13 H16 S5P 21 21 217.609; 9.789; 20.1711
90; 90; 90
1502.43Griffiths, Jon-Paul; Nie, Hui; Brown, R. James; Day, Peter; Wallis, John D.
Synthetic strategies to chiral organosulfur donors related to bis(ethylenedithio)tetrathiafulvalene.
Organic & biomolecular chemistry, 2005, 3, 2155-2166
7150072 CIFC42.26 H53.06 F6 N O12.27 PC 1 2/c 114.324; 22.806; 26.47
90; 97.2; 90
8579Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E.
Regioselective routes to disubstituted dibenzo crown ethers and their complexations.
Organic & biomolecular chemistry, 2005, 3, 2114-2121
7150073 CIFC28 H36 F6 K O12 PP -110.3429; 12.6823; 13.1381
83.774; 72.711; 77.938
1607.17Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E.
Regioselective routes to disubstituted dibenzo crown ethers and their complexations.
Organic & biomolecular chemistry, 2005, 3, 2114-2121
7150074 CIFC28 H36 O12P 1 21/c 113.8926; 12.4235; 8.2043
90; 105.243; 90
1366.2Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E.
Regioselective routes to disubstituted dibenzo crown ethers and their complexations.
Organic & biomolecular chemistry, 2005, 3, 2114-2121
7150075 CIFC28 H36 F6 K O12 PC 1 2/c 116.84; 19.447; 19.41
90; 91.429; 90
6354.6Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E.
Regioselective routes to disubstituted dibenzo crown ethers and their complexations.
Organic & biomolecular chemistry, 2005, 3, 2114-2121
7150076 CIFC18 H17 Br O TiP -17.7237; 9.8885; 11.0929
81.444; 70.937; 89.529
791.12Han, Zhenfu; Fujioka, Takuma; Usugi, Shin-Ichi; Yorimitsu, Hideki; Shinokubo, Hiroshi; Oshima, Koichiro
A new method for the synthesis of acyltitanium complexes and their application to copper-mediated acylmetallation of carbon-carbon multiple bonds in aqueous media.
Organic & biomolecular chemistry, 2005, 3, 1622-1623
7150077 CIFC14 H15 N O4P 1 21/n 16.9505; 28.848; 7.3706
90; 116.961; 90
1317.2Fifer, Nathan L.; White, Jonathan M.
Determining the sigma-donor ability of the cyclopropane C-C bond.
Organic & biomolecular chemistry, 2005, 3, 1776-1780
7150078 CIFC10 H10 N2 O5 SP 1 21/c 15.1517; 11.726; 18.705
90; 94.289; 90
1126.8Fifer, Nathan L.; White, Jonathan M.
Determining the sigma-donor ability of the cyclopropane C-C bond.
Organic & biomolecular chemistry, 2005, 3, 1776-1780

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