Crystallography Open Database

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7150129 CIFC10 H10 N2 O5P 1 21 15.6; 24.29; 7.74
90; 96.24; 90
1046.6Cwik, Agnieszka; Fuchs, Aliz; Hell, Zoltán; Böjtös, Ildikó; Halmai, Dóra; Bombicz, Petra
Modified Mg : Al hydrotalcite in the synthesis of oxazolidin-2-ones.
Organic & biomolecular chemistry, 2005, 3, 967-969
7150130 CIFC13 H13 N3 O2P 1 21/c 19.891; 10.066; 11.732
90; 96.743; 90
1160Coogan, Michael P.; Ooi, Li-ling; Pertusati, Fabrizio
Synthesis of unsymmetrical 3,3'-biquinazoline-2,2'-diones by condensation of 3-aminoquinazolinones with benzoxazinones; fortuitous discovery, and further syntheses of 4-H-3-oxo-1,9a,10-triazaanthracen-9-ones.
Organic & biomolecular chemistry, 2005, 3, 1134-1139
7150131 CIFC19 H31 N O2P -110.6747; 12.0073; 15.319
101.634; 99.209; 90.717
1896.34Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu
Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.
Organic & biomolecular chemistry, 2005, 3, 1453-1459
7150132 CIFC11 H15 N O2P 1 21/c 114.266; 12.599; 19.587
90; 100.86; 90
3457Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu
Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.
Organic & biomolecular chemistry, 2005, 3, 1453-1459
7150133 CIFC19 H36 N2 O3P -110.0678; 12.211; 9.0829
97.147; 92.285; 109.753
1038.7Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu
Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.
Organic & biomolecular chemistry, 2005, 3, 1453-1459
7150134 CIFC16 H24 N2 O3P -112.233; 13.207; 11.841
105.46; 109.07; 90.81
1731.8Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu
Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.
Organic & biomolecular chemistry, 2005, 3, 1453-1459
7150135 CIFC20 H35 N3 O3C m c 2113.2912; 13.0775; 12.1094
90; 90; 90
2104.8Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu
Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.
Organic & biomolecular chemistry, 2005, 3, 1453-1459
7150136 CIFC16 H15 F2 N3 O3 SP 1 21/c 110.5772; 17.2951; 9.394
90; 109.781; 90
1617.08Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.
New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.
Organic & biomolecular chemistry, 2005, 3, 1844-1849
7150137 CIFC16 H12 F3 N3 O2 SC 1 2/c 131.208; 5.051; 21.756
90; 110.08; 90
3221Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.
New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.
Organic & biomolecular chemistry, 2005, 3, 1844-1849
7150138 CIFC16 H13 F2 N3 O2 SP 1 21/c 110.614; 7.484; 20.523
90; 96.25; 90
1620.6Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.
New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.
Organic & biomolecular chemistry, 2005, 3, 1844-1849
7150139 CIFC16 H17 N3 O3 SP 1 21/c 115.9809; 9.4557; 10.5313
90; 90.471; 90
1591.34Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.
New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.
Organic & biomolecular chemistry, 2005, 3, 1844-1849
7150140 CIFC16 H14 F3 N3 O3 SP 1 21/n 18.3741; 19.8459; 10.4665
90; 108.845; 90
1646.2Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.
New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.
Organic & biomolecular chemistry, 2005, 3, 1844-1849
7150141 CIFC16 H11 F3 N2P 1 21/n 18.46; 16.282; 10.706
90; 107.52; 90
1406.3Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.
New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.
Organic & biomolecular chemistry, 2005, 3, 1844-1849
7150142 CIFC25 H37 N2 O4 S2P -15.0885; 15.5224; 16.5379
102.839; 95.947; 94.025
1260.9Marsman, Albert W.; van Poecke, Bart L. A.; Jenneskens, Leonardus W.; Spek, Anthony L.; Lutz, Egbertus T. G.; van der Maas, Joop H.
4-(Tetrahydro-4H-thiopyran-1-oxide-4-ylidene)-cyclohexanone oxime in the solid-state. A two-dimensional network of enantiomorphous chains interconnected by weak hydrogen bonds.
Organic & biomolecular chemistry, 2005, 3, 1402-1409
7150143 CIFC27 H34 N2 O4P 1 21 113.383; 7.0716; 13.9236
90; 110.93; 90
1230.77Davies, Stephen G.; Rodriguez-Solla, Humberto; Tamayo, Juan A.; Cowley, Andrew R.; Concellon, Carmen; Garner, A. Christopher; Parkes, Alastair L.; Smith, Andrew D.
Asymmetric conjugate reductions with samarium diiodide: asymmetric synthesis of (2S,3R)- and (2S,3S)-[2-2H,3-2H]-leucine-(S)-phenylalanine dipeptides and (2S,3R)-[2-(2)H,3-2H]-phenylalanine methyl ester.
Organic & biomolecular chemistry, 2005, 3, 1435-1447
7150144 CIFC12 H18 N2 O6P 1 21/n 16.2236; 9.575; 10.455
90; 92.63; 90
622.4Giovenzana, Giovanni B.; Palmisano, Giovanni; Del Grosso, Erika; Giovannelli, Lorella; Penoni, Andrea; Pilati, Tullio
Polycyclic compounds from aminopolyols and alpha-dicarbonyls: structure and application in the synthesis of exoditopic ligands.
Organic & biomolecular chemistry, 2005, 3, 1489-1494
7150145 CIFC18 H19 N O4C 1 c 115.63; 12.6665; 7.9832
90; 93.946; 90
1576.7Giovenzana, Giovanni B.; Palmisano, Giovanni; Del Grosso, Erika; Giovannelli, Lorella; Penoni, Andrea; Pilati, Tullio
Polycyclic compounds from aminopolyols and alpha-dicarbonyls: structure and application in the synthesis of exoditopic ligands.
Organic & biomolecular chemistry, 2005, 3, 1489-1494
7150146 CIFC37 H41 N3 O7P 1 21/n 112.47; 15.549; 16.864
90; 98.63; 90
3233Banthia, Sandip; Samanta, Anunay
Calix[4]azacrown and 4-aminophthalimide-appended calix[4]azacrown: synthesis, structure, complexation and fluorescence signaling behaviour.
Organic & biomolecular chemistry, 2005, 3, 1428-1434
7150147 CIFC72 H86 Cl2 N6 O25P -112.7722; 15.865; 20.138
78.132; 71.638; 69.81
3613.3Banthia, Sandip; Samanta, Anunay
Calix[4]azacrown and 4-aminophthalimide-appended calix[4]azacrown: synthesis, structure, complexation and fluorescence signaling behaviour.
Organic & biomolecular chemistry, 2005, 3, 1428-1434
7150148 CIFC25 H26 O8P 21 21 216.622; 8.534; 39.364
90; 90; 90
2224.5Boyd, Derek R.; Sharma, Narain D.; Llamas, Nuria M.; Malone, John F.; O'Dowd, Colin R; Allen, Christopher C. R.
Chemoenzymatic synthesis of carbasugars from iodobenzene.
Organic & biomolecular chemistry, 2005, 3, 1953-1963
7150149 CIFC16 H22 O10P 15.871; 9.395; 16.257
87.588; 86.434; 81.819
885.4Boyd, Derek R.; Sharma, Narain D.; Llamas, Nuria M.; Malone, John F.; O'Dowd, Colin R; Allen, Christopher C. R.
Chemoenzymatic synthesis of carbasugars from iodobenzene.
Organic & biomolecular chemistry, 2005, 3, 1953-1963
7150150 CIFC17 H12 O2 TeP 1 21/n 111.8427; 6.0131; 20.0259
90; 90.914; 90
1425.89Fry, Fiona H.; Holme, Andrea L.; Giles, Niroshini M.; Giles, Gregory I.; Collins, Catriona; Holt, Kim; Pariagh, Sandra; Gelbrich, Thomas; Hursthouse, Michael B.; Gutowski, Nick J.; Jacob, Claus
Multifunctional redox catalysts as selective enhancers of oxidative stress.
Organic & biomolecular chemistry, 2005, 3, 2579-2587
7150151 CIFC16 H21 Br O4P 1 21/n 19.3004; 14.8301; 11.6244
90; 108.528; 90
1520.2Buttler, Thomas; Fleming, Ian; Gonsior, Sabine; Kim, Bo-Hye; Sung, A-Young; Woo, Hee-Gweon
A synthesis of (+/-)-sparteine.
Organic & biomolecular chemistry, 2005, 3, 1557-1567
7150152 CIFC17 H24 O4P -19.6393; 9.6637; 17.7208
78.728; 79.019; 76.781
1557.5Buttler, Thomas; Fleming, Ian; Gonsior, Sabine; Kim, Bo-Hye; Sung, A-Young; Woo, Hee-Gweon
A synthesis of (+/-)-sparteine.
Organic & biomolecular chemistry, 2005, 3, 1557-1567
7150153 CIFC10 H15 Cl N2 O3P 21 21 216.4839; 12.5501; 13.7734
90; 90; 90
1120.79Duggan, Heather M. E.; Hitchcock, Peter B.; Young, Douglas W.
Synthesis of 5/7-, 5/8- and 5/9-bicyclic lactam templates as constraints for external beta-turns.
Organic & biomolecular chemistry, 2005, 3, 2287-2295
7150154 CIFC20 H21 N3 O5 SP 21 21 216.0476; 10.1799; 32.0263
90; 90; 90
1971.67Fox, David J.; Morley, Thomas J.; Taylor, Sarah; Warren, Stuart
Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions.
Organic & biomolecular chemistry, 2005, 3, 1369-1371
7150155 CIFC20 H25 N O2 S2P c a 2115.717; 6.1884; 39.42
90; 90; 90
3834.1Fox, David J.; Morley, Thomas J.; Taylor, Sarah; Warren, Stuart
Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions.
Organic & biomolecular chemistry, 2005, 3, 1369-1371
7150156 CIFC13 H20 Cl N SP b c a8.5638; 14.0302; 23.1201
90; 90; 90
2777.92Fox, David J.; Morley, Thomas J.; Taylor, Sarah; Warren, Stuart
Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions.
Organic & biomolecular chemistry, 2005, 3, 1369-1371
7150157 CIFC25 H30 N2 O2C 1 2 124.525; 8.188; 26.609
90; 116.853; 90
4767.2Koepler, Oliver; Mazzini, Stefania; Bellucci, Maria Cristina; Mondelli, Rosanna; Baro, Angelika; Laschat, Sabine; Hotfilder, Marc; Viseur, Christophle; Frey, Wolfgang
Synthesis and DNA binding properties of novel benzo[b]isoquino[2,3-h]-naphthyridines.
Organic & biomolecular chemistry, 2005, 3, 2848-2858
7150158 CIFC3 F9 K N2 O5 S3P b c n22.385; 16.653; 7.093
90; 90; 90
2644.1Garlyauskayte, Romute Yu; Chernega, Alexander N.; Michot, Christophe; Armand, Michel; Yagupolskii, Yurii L.; Yagupolskii, Lev M.
Synthesis of new organic super acids-N-(trifluoromethylsulfonyl)imino derivatives of trifluoromethanesulfonic acid and bis(trifluoromethylsulfonyl)imide.
Organic & biomolecular chemistry, 2005, 3, 2239-2243
7150159 CIFC4 F12 K N3 O6 S4P b c a13.479; 11.203; 24.545
90; 90; 90
3706Garlyauskayte, Romute Yu; Chernega, Alexander N.; Michot, Christophe; Armand, Michel; Yagupolskii, Yurii L.; Yagupolskii, Lev M.
Synthesis of new organic super acids-N-(trifluoromethylsulfonyl)imino derivatives of trifluoromethanesulfonic acid and bis(trifluoromethylsulfonyl)imide.
Organic & biomolecular chemistry, 2005, 3, 2239-2243
7150160 CIFC14 H25 N O2P 1 21/c 117.354; 9.797; 17.737
90; 104.153; 90
2924.06Feuillet, Fred J. P.; Cheeseman, Matt; Mahon, Mary F.; Bull, Steven D.
Stereoselective synthesis of (E)-trisubstituted alpha,beta-unsaturated amides and acids.
Organic & biomolecular chemistry, 2005, 3, 2976-2989
7150161 CIFC12 H14 Cl3 N3 O5P b c a11.4775; 11.1987; 24.918
90; 90; 90
3202.8Aburel, Pompiliu S.; Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker
Catalytic and enantioselective aza-ene and hetero-Diels-Alder reactions of alkenes and dienes with azodicarboxylates.
Organic & biomolecular chemistry, 2005, 3, 2344-2349
7150162 CIFC11 H22 N6 O4P 21 21 212.9893; 22.218; 5.2165
90; 90; 90
1505.5Hysell, Michelle; Siegel, Jay S.; Tor, Yitzhak
Synthesis and stability of exocyclic triazine nucleosides.
Organic & biomolecular chemistry, 2005, 3, 2946-2952
7150163 CIFC16 H27 N O6 SP 1 21/c 115.095; 10.338; 11.718
90; 97.582; 90
1812.6Spivey, Alan C.; Colley, Jacqueline; Sprigens, Lindsey; Hancock, Susan M.; Cameron, D. Stuart; Chigboh, Kordi I.; Veitch, Gemma; Frampton, Christopher S.; Adams, Harry
The synthesis of water soluble decalin-based thiols and S-nitrosothiols‒model systems for studying the reactions of nitric oxide with protein thiols.
Organic & biomolecular chemistry, 2005, 3, 1942-1952
7150164 CIFC14 H22 O5 SP -16.8076; 9.3008; 12.201
96.4; 105.284; 92.286
738.62Spivey, Alan C.; Colley, Jacqueline; Sprigens, Lindsey; Hancock, Susan M.; Cameron, D. Stuart; Chigboh, Kordi I.; Veitch, Gemma; Frampton, Christopher S.; Adams, Harry
The synthesis of water soluble decalin-based thiols and S-nitrosothiols‒model systems for studying the reactions of nitric oxide with protein thiols.
Organic & biomolecular chemistry, 2005, 3, 1942-1952
7150165 CIFC12 H18 N O4 SP 1 21 110.927; 8.372; 14.62
90; 96.444; 90
1329Spivey, Alan C.; Colley, Jacqueline; Sprigens, Lindsey; Hancock, Susan M.; Cameron, D. Stuart; Chigboh, Kordi I.; Veitch, Gemma; Frampton, Christopher S.; Adams, Harry
The synthesis of water soluble decalin-based thiols and S-nitrosothiols‒model systems for studying the reactions of nitric oxide with protein thiols.
Organic & biomolecular chemistry, 2005, 3, 1942-1952
7150166 CIFC24 H34 N2 O10 P2P -16.9456; 8.5692; 12.8364
95.764; 92.302; 113.556
694.09Siu, Jason; Baxendale, Ian R.; Lewthwaite, Russell A.; Ley, Steven V.
A phase-switch purification approach for the expedient removal of tagged reagents and scavengers following their application in organic synthesis.
Organic & biomolecular chemistry, 2005, 3, 3140-3160
7150167 CIFC21 H20 O4P b c a22.3809; 17.2516; 9.034
90; 90; 90
3488.1Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku
Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.
Organic & biomolecular chemistry, 2005, 3, 2296-2304
7150168 CIFC20 H18 O4P n a 218.471; 11.811; 16.531
90; 90; 90
1653.9Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku
Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.
Organic & biomolecular chemistry, 2005, 3, 2296-2304
7150169 CIFC18 H20 O6P -19.275; 13.425; 7.83
106.14; 114.52; 71.4
828.6Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku
Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.
Organic & biomolecular chemistry, 2005, 3, 2296-2304
7150170 CIFC20 H18 O4P 1 21/n 111.759; 9.091; 15.774
90; 103.766; 90
1637.8Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku
Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.
Organic & biomolecular chemistry, 2005, 3, 2296-2304
7150171 CIFC123 H193.5 O35.5P 21 21 2116.378; 27.7666; 30.3256
90; 90; 90
13790.9Armspach, Dominique; Poorters, Laurent; Matt, Dominique; Benmerad, Belkacem; Balegroune, Fadila; Toupet, Loic
A new approach to A,B-difunctionalisation of cyclodextrins using bulky 1,3-bis[bis(aryl)chloromethyl]benzenes as capping reagents.
Organic & biomolecular chemistry, 2005, 3, 2588-2592
7150172 CIFC16 H22 N2 O5P 15.108; 5.71; 14.903
79.659; 81.128; 89.62
422.4Dutt, Anita; Drew, Michael G. B.; Pramanik, Animesh
beta-Sheet mediated self-assembly of dipeptides of omega-amino acids and remarkable fibrillation in the solid state.
Organic & biomolecular chemistry, 2005, 3, 2250-2254
7150173 CIFC17 H24 N2 O5P -15.448; 11.674; 14.81
79.936; 79.89; 85.346
911.8Dutt, Anita; Drew, Michael G. B.; Pramanik, Animesh
beta-Sheet mediated self-assembly of dipeptides of omega-amino acids and remarkable fibrillation in the solid state.
Organic & biomolecular chemistry, 2005, 3, 2250-2254
7150174 CIFC22 H26 O6P 21 21 216.565; 8.698; 34.72
90; 90; 90
1983Cases, Manuel; Gonzalez-Lopez de Turiso, Felix; Hadjisoteriou, Maria S.; Pattenden, Gerald
Synthetic studies towards furanocembrane diterpenes. A total synthesis of bis-deoxylophotoxin.
Organic & biomolecular chemistry, 2005, 3, 2786-2804
7150175 CIFC18 H23 N O6P 21 21 2110.816; 16.904; 19.35
90; 90; 90
3537.8Cases, Manuel; Gonzalez-Lopez de Turiso, Felix; Hadjisoteriou, Maria S.; Pattenden, Gerald
Synthetic studies towards furanocembrane diterpenes. A total synthesis of bis-deoxylophotoxin.
Organic & biomolecular chemistry, 2005, 3, 2786-2804
7150176 CIFC24 H38 Na2 O14 PP 21 21 219.408; 11.05; 31.83
90; 90; 90
3309Babu, Ponnusamy; Chopra, D.; Row, T. N. Guru; Maitra, Uday
Micellar aggregates and hydrogels from phosphonobile salts.
Organic & biomolecular chemistry, 2005, 3, 3695-3700
7150177 CIFC54 H101 N9 O14 P2P 21 21 2117.059; 19.498; 19.657
90; 90; 90
6538Amendola, Valeria; Boiocchi, Massimo; Esteban-Gómez, David; Fabbrizzi, Luigi; Monzani, Enrico
Chiral receptors for phosphate ions.
Organic & biomolecular chemistry, 2005, 3, 2632-2639
7150178 CIFC22 H20 N4 O4 S2P 1 21/c 111.9376; 14.0036; 13.9101
90; 107.916; 90
2212.6Zahra, Jalal A.; Abu Thaher, Bassam A.; El-Abadelah, Mustafa M; Boese, Roland
3-Mercaptopropionic acid-nitrile imine adducts. An unprecedented cyclization into 1,3,4-thiadiazol-2(3H)-ones and -2(3H)-thiones.
Organic & biomolecular chemistry, 2005, 3, 2599-2603

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