Crystallography Open Database

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7151908 CIFC50 H66 O6P -112.6769; 12.8446; 14.6153
91.343; 94.061; 106.217
2277.06Fischer, Conrad; Gruber, Tobias; Seichter, Wilhelm; Weber, Edwin
Bridge-substituted calix[4]arenes: syntheses, conformations and application.
Organic & biomolecular chemistry, 2011, 9, 4347-4352
7151909 CIFC52 H70 O6P 1 21/n 111.5457; 24.1928; 17.0958
90; 96.098; 90
4748.23Fischer, Conrad; Gruber, Tobias; Seichter, Wilhelm; Weber, Edwin
Bridge-substituted calix[4]arenes: syntheses, conformations and application.
Organic & biomolecular chemistry, 2011, 9, 4347-4352
7151910 CIFC14 H11 N O2P n a 217.168; 15.046; 9.688
90; 90; 90
1044.8Wang, Ren; Lu, Shen-Ci; Zhang, Yi-Ming; Shi, Zong-Jun; Zhang, Wei
One-pot synthesis of benzo[f]quinolin-3-ones and benzo[a]phenanthridein-5-ones by the photoanuulation of 6-chloropyridin-2-ones and 3-chloroisoquinolin-1-ones to phenylacetylene.
Organic & biomolecular chemistry, 2011, 9, 5802-5808
7151911 CIFC20 H14 Cl N OP 21 21 217.272; 11.909; 17.041
90; 90; 90
1475.8Wang, Ren; Lu, Shen-Ci; Zhang, Yi-Ming; Shi, Zong-Jun; Zhang, Wei
One-pot synthesis of benzo[f]quinolin-3-ones and benzo[a]phenanthridein-5-ones by the photoanuulation of 6-chloropyridin-2-ones and 3-chloroisoquinolin-1-ones to phenylacetylene.
Organic & biomolecular chemistry, 2011, 9, 5802-5808
7151912 CIFC12 H14 B F4 N3 OI b a 210.628; 34.498; 7.374
90; 90; 90
2703.6Campbell, Craig D.; Collett, Christopher J.; Thomson, Jennifer E.; Slawin, Alexandra M. Z.; Smith, Andrew D.
Organic base effects in NHC promoted O- to C-carboxyl transfer; chemoselectivity profiles, mechanistic studies and domino catalysis.
Organic & biomolecular chemistry, 2011, 9, 4205-4218
7151913 CIFC11 H12 B F4 N3P 21 21 216.7538; 10.5562; 17.047
90; 90; 90
1215.4Campbell, Craig D.; Collett, Christopher J.; Thomson, Jennifer E.; Slawin, Alexandra M. Z.; Smith, Andrew D.
Organic base effects in NHC promoted O- to C-carboxyl transfer; chemoselectivity profiles, mechanistic studies and domino catalysis.
Organic & biomolecular chemistry, 2011, 9, 4205-4218
7151914 CIFC11 H7 B F9 N3P 1 21 18.2061; 7.6948; 10.792
90; 101.725; 90
667.2Campbell, Craig D.; Collett, Christopher J.; Thomson, Jennifer E.; Slawin, Alexandra M. Z.; Smith, Andrew D.
Organic base effects in NHC promoted O- to C-carboxyl transfer; chemoselectivity profiles, mechanistic studies and domino catalysis.
Organic & biomolecular chemistry, 2011, 9, 4205-4218
7151915 CIFC11 H10 Cl N3 OP -15.5353; 6.5391; 15.0596
85.657; 81.972; 89.189
538.2Zeghada, Sarah; Bentabed-Ababsa, Ghenia; Derdour, Aïcha; Abdelmounim, Safer; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Nassar, Ekhlass; Mongin, Florence
A combined experimental and theoretical study of the thermal cycloaddition of aryl azides with activated alkenes.
Organic & biomolecular chemistry, 2011, 9, 4295-4305
7151916 CIFC11 H10 Br N3 OP -15.6105; 6.4884; 15.2886
86.338; 81.785; 89.249
549.71Zeghada, Sarah; Bentabed-Ababsa, Ghenia; Derdour, Aïcha; Abdelmounim, Safer; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Nassar, Ekhlass; Mongin, Florence
A combined experimental and theoretical study of the thermal cycloaddition of aryl azides with activated alkenes.
Organic & biomolecular chemistry, 2011, 9, 4295-4305
7151917 CIFC11 H10 Cl N3 O2P b c 213.8164; 12.722; 46.6476
90; 90; 90
2264.85Zeghada, Sarah; Bentabed-Ababsa, Ghenia; Derdour, Aïcha; Abdelmounim, Safer; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Nassar, Ekhlass; Mongin, Florence
A combined experimental and theoretical study of the thermal cycloaddition of aryl azides with activated alkenes.
Organic & biomolecular chemistry, 2011, 9, 4295-4305
7151918 CIFC21 H14 N4 O3C 1 2/c 128.52; 8.754; 14.701
90; 110.802; 90
3431Zeghada, Sarah; Bentabed-Ababsa, Ghenia; Derdour, Aïcha; Abdelmounim, Safer; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Nassar, Ekhlass; Mongin, Florence
A combined experimental and theoretical study of the thermal cycloaddition of aryl azides with activated alkenes.
Organic & biomolecular chemistry, 2011, 9, 4295-4305
7151919 CIFC96 H124 O10 P4 S2P 1 21/c 114.338; 34.567; 18.529
90; 106.02; 90
8826.7Vachon, Jérôme; Harthong, Steven; Jeanneau, Erwann; Aronica, Christophe; Vanthuyne, Nicolas; Roussel, Christian; Dutasta, Jean-Pierre
Inherently chiral phosphonatocavitands as artificial chemo- and enantio-selective receptors of natural ammoniums.
Organic & biomolecular chemistry, 2011, 9, 5086-5091
7151920 CIFC87 H123 Cl3 O11 P2P -111.9557; 15.3805; 22.8398
95.81; 95.876; 90.902
4154.9Vachon, Jérôme; Harthong, Steven; Jeanneau, Erwann; Aronica, Christophe; Vanthuyne, Nicolas; Roussel, Christian; Dutasta, Jean-Pierre
Inherently chiral phosphonatocavitands as artificial chemo- and enantio-selective receptors of natural ammoniums.
Organic & biomolecular chemistry, 2011, 9, 5086-5091
7151921 CIFC17 H12 O3 SP 1 21/n 19.713; 11.179; 13.663
90; 109.59; 90
1397.7da Rocha, David R.; de Souza, Ana C. G.; Resende, Jackson A. L. C.; Santos, Wilson C.; dos Santos, Evelyne A.; Pessoa, Cláudia; de Moraes, Manoel O.; Costa-Lotufo, Letícia V; Montenegro, Raquel C.; Ferreira, Vitor F.
Synthesis of new 9-hydroxy-α- and 7-hydroxy-β-pyran naphthoquinones and cytotoxicity against cancer cell lines.
Organic & biomolecular chemistry, 2011, 9, 4315-4322
7151922 CIFC17 H12 O3 SP 1 21/c 18.9234; 8.6499; 17.8425
90; 103.821; 90
1337.33da Rocha, David R.; de Souza, Ana C. G.; Resende, Jackson A. L. C.; Santos, Wilson C.; dos Santos, Evelyne A.; Pessoa, Cláudia; de Moraes, Manoel O.; Costa-Lotufo, Letícia V; Montenegro, Raquel C.; Ferreira, Vitor F.
Synthesis of new 9-hydroxy-α- and 7-hydroxy-β-pyran naphthoquinones and cytotoxicity against cancer cell lines.
Organic & biomolecular chemistry, 2011, 9, 4315-4322
7151923 CIFC18 H19 N O2 SP 1 21/c 110.879; 8.725; 17.898
90; 92.108; 90
1698Zhou, Wei; An, Guanghui; Zhang, Guangqian; Han, Jianlin; Pan, Yi
Ligand-free palladium-catalyzed intramolecular Heck reaction of secondary benzylic bromides.
Organic & biomolecular chemistry, 2011, 9, 5833-5837
7151924 CIFC20.5 H26.5 N4 O11.75 OsP 1 21 118.6624; 6.6549; 19.1657
90; 105.704; 90
2291.46Sugizaki, Kaori; Ikeda, Shuji; Yanagisawa, Hiroyuki; Okamoto, Akimitsu
Facile synthesis of hydroxymethylcytosine-containing oligonucleotides and their reactivity upon osmium oxidation.
Organic & biomolecular chemistry, 2011, 9, 4176-4181
7151925 CIFC23 H25 F N4 O2 SP 1 21/c 111.4682; 19.7219; 9.6293
90; 103.607; 90
2116.8Chowdhury, Chinmay; Mukherjee, Sanjukta; Chakraborty, Biswajit; Achari, Basudeb
A rapid and facile method for the general synthesis of 3-aryl substituted 4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazines and their ring fused analogues.
Organic & biomolecular chemistry, 2011, 9, 5856-5862
7151926 CIFC18 H15 F3 N4P 1 21 17.9258; 16.4316; 12.9933
90; 105.595; 90
1629.87Chowdhury, Chinmay; Mukherjee, Sanjukta; Chakraborty, Biswajit; Achari, Basudeb
A rapid and facile method for the general synthesis of 3-aryl substituted 4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazines and their ring fused analogues.
Organic & biomolecular chemistry, 2011, 9, 5856-5862
7151927 CIFC22 H19 N5 O2P 21 21 214.8025; 11.5872; 33.05
90; 90; 90
1839.15Gemma, Sandra; Colombo, Laura; Forloni, Gianluigi; Savini, Luisa; Fracasso, Claudia; Caccia, Silvio; Salmona, Mario; Brindisi, Margherita; Joshi, Bhupendra P.; Tripaldi, Pierangela; Giorgi, Gianluca; Taglialatela-Scafati, Orazio; Novellino, Ettore; Fiorini, Isabella; Campiani, Giuseppe; Butini, Stefania
Pyrroloquinoxaline hydrazones as fluorescent probes for amyloid fibrils.
Organic & biomolecular chemistry, 2011, 9, 5137-5148
7151928 CIFC22.42 H17 N5 O2C 1 2/c 124.252; 9.3398; 17.6282
90; 102.784; 90
3894Gemma, Sandra; Colombo, Laura; Forloni, Gianluigi; Savini, Luisa; Fracasso, Claudia; Caccia, Silvio; Salmona, Mario; Brindisi, Margherita; Joshi, Bhupendra P.; Tripaldi, Pierangela; Giorgi, Gianluca; Taglialatela-Scafati, Orazio; Novellino, Ettore; Fiorini, Isabella; Campiani, Giuseppe; Butini, Stefania
Pyrroloquinoxaline hydrazones as fluorescent probes for amyloid fibrils.
Organic & biomolecular chemistry, 2011, 9, 5137-5148
7151929 CIFC11 H10 O2P -16.352; 7.033; 10.437
83.301; 77.06; 77.613
442.7Nair, Vijay; Sinu, C. R.; Rejithamol, R.; Seetha Lakshmi, K. C.; Suresh, Eringathodi
A novel NHC-catalyzed transformation of 2H-chromene-3-carboxaldehydes to 3-methyl-2H-chromen-2-ones.
Organic & biomolecular chemistry, 2011, 9, 5511-5514
7151930 CIFC11 H5 Cl3 N4P 1 21/n 17.3206; 19.054; 8.7032
90; 99.593; 90
1197Niu, Hong-Ying; Xia, Chao; Qu, Gui-Rong; Zhang, Qian; Jiang, Yi; Mao, Run-Ze; Li, De-Yang; Guo, Hai-Ming
CuBr Catalyzed C-N cross coupling reaction of purines and diaryliodonium salts to 9-arylpurines.
Organic & biomolecular chemistry, 2011, 9, 5039-5042
7151931 CIFC23 H17 F N2P 1 21/c 17.4524; 19.81; 11.805
90; 90.816; 90
1742.6Chen, Zixian; Zhu, Jiangtao; Xie, Haibo; Li, Shan; Wu, Yongming; Gong, Yuefa
Selective synthesis of poly-substituted fluorine-containing pyridines and dihydropyrimidines via cascade C-F bond cleavage protocol.
Organic & biomolecular chemistry, 2011, 9, 5682-5691
7151932 CIFC23 H18 F2 N2C 1 2/c 123.699; 10.1868; 17.9095
90; 123.02; 90
3625.3Chen, Zixian; Zhu, Jiangtao; Xie, Haibo; Li, Shan; Wu, Yongming; Gong, Yuefa
Selective synthesis of poly-substituted fluorine-containing pyridines and dihydropyrimidines via cascade C-F bond cleavage protocol.
Organic & biomolecular chemistry, 2011, 9, 5682-5691
7151933 CIFC21 H19 N O4C 1 c 119.404; 8.0536; 11.589
90; 102.32; 90
1769.3Jiang, Huanfeng; Ji, Xiaochen; Li, Yibiao; Chen, Zhengwang; Wang, Azhong
Palladium-assisted multicomponent cyclization of aromatic aldehydes, arylamines and terminal olefins under molecular oxygen: an assembly of 1,4-dihydropyridines.
Organic & biomolecular chemistry, 2011, 9, 5358-5361
7151934 CIFC19 H13 N3P 1 21/n 113.657; 8.1149; 13.751
90; 94.69; 90
1518.9Jiang, Huanfeng; Ji, Xiaochen; Li, Yibiao; Chen, Zhengwang; Wang, Azhong
Palladium-assisted multicomponent cyclization of aromatic aldehydes, arylamines and terminal olefins under molecular oxygen: an assembly of 1,4-dihydropyridines.
Organic & biomolecular chemistry, 2011, 9, 5358-5361
7151935 CIFC18 H19 F3 O3P 1 21/n 15.935; 23.843; 11.898
90; 93.864; 90
1679.8Wang, Tong; Ye, Song
Phosphine-catalyzed [3 + 2] cycloaddition of allenoates with trifluoromethylketones: synthesis of dihydrofurans and tetrahydrofurans.
Organic & biomolecular chemistry, 2011, 9, 5260-5265
7151936 CIFC12 H16 O3P 21 21 2110.396; 10.88; 19.224
90; 90; 90
2174.4Iqbal, Mudassar; Black, Richard J. G.; Winn, Joby; Reeder, Andrew T.; Blake, Alexander J.; Clarke, Paul A.
Studies on transannulation reactions across a nine-membered ring: the synthesis of natural product-like structures.
Organic & biomolecular chemistry, 2011, 9, 5062-5078
7151937 CIFC12 H16 O3C 1 2 124.17; 7.6936; 12.38
90; 112.922; 90
2120.3Iqbal, Mudassar; Black, Richard J. G.; Winn, Joby; Reeder, Andrew T.; Blake, Alexander J.; Clarke, Paul A.
Studies on transannulation reactions across a nine-membered ring: the synthesis of natural product-like structures.
Organic & biomolecular chemistry, 2011, 9, 5062-5078
7151938 CIFC18 H16 O4P 1 21/c 111.6786; 14.5262; 8.7114
90; 103.82; 90
1435.07Rahn, Thomas; Bendrath, Franziska; Hein, Martin; Baumann, Wolfgang; Jiao, Haijun; Börner, Armin; Villinger, Alexander; Langer, Peter
Synthesis and characterization of bis-cyclopropanated 1,3,5-tricarbonyl compounds. A combined synthetic, spectroscopic and theoretical study.
Organic & biomolecular chemistry, 2011, 9, 5172-5184
7151939 CIFC17 H18 O5P 1 21/c 19.4464; 8.3079; 19.3443
90; 94.272; 90
1513.92Rahn, Thomas; Bendrath, Franziska; Hein, Martin; Baumann, Wolfgang; Jiao, Haijun; Börner, Armin; Villinger, Alexander; Langer, Peter
Synthesis and characterization of bis-cyclopropanated 1,3,5-tricarbonyl compounds. A combined synthetic, spectroscopic and theoretical study.
Organic & biomolecular chemistry, 2011, 9, 5172-5184
7151940 CIFC19 H22 O5 SP 1 21 17.8373; 8.6462; 13.3583
90; 94.152; 90
902.82Ren, Qiao; Gao, Yaojun; Wang, Jian
Chiral indane skeleton based thiourea catalyzed highly stereoselective cascade Michael-enolation-cyclization reaction.
Organic & biomolecular chemistry, 2011, 9, 5297-5302
7151941 CIFC56 H34 N6 O2P 1 21/m 111.543; 19.853; 12.183
90; 97.935; 90
2765.2Hu, Shu-Zhen; Chen, Chuan-Feng
Hg(2+) recognition by triptycene-derived heteracalixarenes: selectivity tuned by bridging heteroatoms and macrocyclic cavity.
Organic & biomolecular chemistry, 2011, 9, 5838-5844
7151942 CIFC10 H7 Br2 N O2P -17.128; 7.3609; 10.9238
90.492; 98.609; 112.463
522.34Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.
Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.
Organic & biomolecular chemistry, 2011, 9, 5021-5023
7151943 CIFC15 H15 Br2 N O4P -17.0596; 10.693; 11.4729
96.062; 94.194; 106.037
822.95Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.
Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.
Organic & biomolecular chemistry, 2011, 9, 5021-5023
7151944 CIFC8 H5 Br2 NP b c a11.0874; 7.5403; 18.872
90; 90; 90
1577.74Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.
Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.
Organic & biomolecular chemistry, 2011, 9, 5021-5023
7151945 CIFC8 H4 Br3 NP 1 21/c 18.8688; 6.0886; 16.8852
90; 91.443; 90
911.49Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.
Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.
Organic & biomolecular chemistry, 2011, 9, 5021-5023
7151946 CIFC9 H6 Br3 NP -17.6033; 8.0327; 9.661
68.061; 66.835; 73.873
497.24Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.
Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.
Organic & biomolecular chemistry, 2011, 9, 5021-5023
7151947 CIFC46 H64 N6 O7 Si2P 1 21 116.4115; 8.1684; 17.6258
90; 96.614; 90
2347.1Sacchetti, Alessandro; Silvani, Alessandra; Gatti, Francesco G.; Lesma, Giordano; Pilati, Tullio; Trucchi, Beatrice
Addition of TMSCN to chiral ketimines derived from isatin. Synthesis of an oxindole-based peptidomimetic and a bioactive spirohydantoin.
Organic & biomolecular chemistry, 2011, 9, 5515-5522
7151948 CIFC12 H15 Cl N2 OP 1 21/c 111.18; 9.4995; 12.049
90; 111.894; 90
1187.4Jiang, Ran; Xu, Hai-Yan; Xu, Xiao-Ping; Chu, Xue-Qiang; Ji, Shun-Jun
Direct alkylation of indoles and amines by tert-enamides: facile access to pharmaceutically active 2-oxo-1-pyrrolidine analogues.
Organic & biomolecular chemistry, 2011, 9, 5659-5669
7151949 CIFC21 H39 N5 O8P 21 21 219.0917; 9.8531; 29.228
90; 90; 90
2618.3Srinivas, Deekonda; Vijayadas, Kuruppanthara N.; Gonnade, Rajesh; Phalgune, Usha D.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.
Concurrent display of both α- and β-turns in a model peptide.
Organic & biomolecular chemistry, 2011, 9, 5762-5765
7151950 CIFC18 H24 N4 O4P 1 21 14.7957; 19.605; 9.913
90; 100.076; 90
917.6Srinivas, Deekonda; Vijayadas, Kuruppanthara N.; Gonnade, Rajesh; Phalgune, Usha D.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.
Concurrent display of both α- and β-turns in a model peptide.
Organic & biomolecular chemistry, 2011, 9, 5762-5765
7151951 CIFC21 H39 N5 O8P 21 21 219.056; 9.842; 29.153
90; 90; 90
2598Srinivas, Deekonda; Vijayadas, Kuruppanthara N.; Gonnade, Rajesh; Phalgune, Usha D.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.
Concurrent display of both α- and β-turns in a model peptide.
Organic & biomolecular chemistry, 2011, 9, 5762-5765
7151952 CIFC19 H14 Cl2 O3P 1 21 18.1115; 5.6573; 18.0697
90; 92.887; 90
828.15Zhang, Qi; Xiao, Xiao; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming
Highly enantioselective synthesis of γ-substituted butenolides via the vinylogous Mukaiyama-Michael reaction catalyzed by a chiral scandium(iii)-N,N'-dioxide complex.
Organic & biomolecular chemistry, 2011, 9, 5748-5754
7151953 CIFC23 H43 N O8 SiP 21 21 219.0593; 15.3579; 19.9706
90; 90; 90
2778.55Kobayashi, Kenichi; Okamoto, Iwao; Morita, Nobuyoshi; Kiyotani, Tamiko; Tamura, Osamu
Synthesis of the proposed structure of phaeosphaeride A.
Organic & biomolecular chemistry, 2011, 9, 5825-5832
7151954 CIFC30 H28 Cl2 N2P 1 21/n 19.4142; 16.609; 16.8295
90; 105.173; 90
2539.7Yang, Yan-Fang; Shu, Xing-Zhong; Wei, Hai-Long; Luo, Jian-Yi; Ali, Shaukat; Liu, Xue-Yuan; Liang, Yong-Min
FeCl(3)-Mediated synthesis of polysubstituted tetrahydroquinolines via domino Mannich/Friedel-Crafts reactions of aldehydes and amines.
Organic & biomolecular chemistry, 2011, 9, 5028-5033
7151955 CIFC10 H16 Cl3 N5 O ZnP 1 21/c 111.4767; 9.9382; 14.0372
90; 92.646; 90
1599.34Trávníček, Zdeněk; Novotná, Radka; Marek, Jaromír; Popa, Igor; Sipl, Michal
Transformations of the natural cytokinin N6-isopentenyladenine in aqueous acidic media: structural aspects.
Organic & biomolecular chemistry, 2011, 9, 5703-5713
7151956 CIFC20 H28 Cl8 N10 Zn3P -18.3518; 10.0642; 21.5006
96.082; 94.259; 112.541
1646.72Trávníček, Zdeněk; Novotná, Radka; Marek, Jaromír; Popa, Igor; Sipl, Michal
Transformations of the natural cytokinin N6-isopentenyladenine in aqueous acidic media: structural aspects.
Organic & biomolecular chemistry, 2011, 9, 5703-5713
7151957 CIFC9 H21 Cl2 N5 O2P 1 21/n 17.0591; 15.6552; 13.2731
90; 98.24; 90
1451.69Trávníček, Zdeněk; Novotná, Radka; Marek, Jaromír; Popa, Igor; Sipl, Michal
Transformations of the natural cytokinin N6-isopentenyladenine in aqueous acidic media: structural aspects.
Organic & biomolecular chemistry, 2011, 9, 5703-5713

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