Crystallography Open Database

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7151808 CIFC14 H10 Cl2 N4 SC 1 2/c 129.6523; 5.863; 17.344
90; 108.649; 90
2857Yella, Ramesh; Khatun, Nilufa; Rout, Saroj Kumar; Patel, Bhisma K.
Tandem regioselective synthesis of tetrazoles and related heterocycles using iodine.
Organic & biomolecular chemistry, 2011, 9, 3235-3245
7151809 CIFC20 H30 N2 O5P 21 21 215.1057; 10.2051; 40.956
90; 90; 90
2134Maity, Sibaprasad; Kumar, Pankaj; Haldar, Debasish
An amyloid-like fibril-forming supramolecular cross-β-structure of a model peptide: a crystallographic insight.
Organic & biomolecular chemistry, 2011, 9, 3787-3791
7151810 CIFC13 H14 Cl N O2P 1 21/n 113.0021; 7.2565; 14.3625
90; 111.335; 90
1262.2Gallego, Gary; Ariafard, Alireza; Tran, Kiet; Sandoval, David; Choi, Leera; Chen, Yi-Hsun; Yates, Brian F.; Tao, Fu-Ming; Hyland, Christopher J. T.
Titanium-mediated rearrangement of cyclopropenylmethyl acetates to (E)-halodienes.
Organic & biomolecular chemistry, 2011, 9, 3359-3363
7151811 CIFC25 H25 Cl N4 O3P 1 21 15.4217; 20.2401; 40.725
90; 91.593; 90
4467.3Tuccinardi, Tiziano; Zizzari, Alessandra Tania; Brullo, Chiara; Daniele, Simona; Musumeci, Francesca; Schenone, Silvia; Trincavelli, Maria Letizia; Martini, Claudia; Martinelli, Adriano; Giorgi, Gianluca; Botta, Maurizio
Substituted pyrazolo[3,4-b]pyridines as human A1 adenosine antagonists: Developments in understanding the receptor stereoselectivity
Organic & Biomolecular Chemistry, 2011, 9, 4448
7151812 CIFC42 H49 N O3 SiP -110.4285; 12.4428; 14.7188
86.41; 72.131; 86.886
1813Findley, Thomas J. K.; Sucunza, David; Miller, Laura C.; Helm, Matthew D.; Helliwell, Madeleine; Davies, David T.; Procter, David J.
A stereoselective, Sm(II)-mediated approach to decorated cis-hydrindanes: synthetic studies on faurinone and pleuromutilin.
Organic & biomolecular chemistry, 2011, 9, 2433-2451
7151813 CIFC18 H17 N OC 1 c 111.96; 16.344; 7.655
90; 109.03; 90
1414.6Gruner, Konstanze K.; Hopfmann, Thomas; Matsumoto, Kazuhiro; Jäger, Anne; Katsuki, Tsutomu; Knölker, Hans-Joachim
Efficient iron-mediated approach to pyrano[3,2-a]carbazole alkaloids–first total syntheses of O-methylmurrayamine A and 7-methoxymurrayacine, first asymmetric synthesis and assignment of the absolute configuration of (-)-trans-dihydroxygirinimbine.
Organic & biomolecular chemistry, 2011, 9, 2057-2061
7151814 CIFC13 H25 I O2 SiP 21 21 2111.5224; 11.6757; 12.5624
90; 90; 90
1690Qi, Xian-Liang; Zhang, Jun-Tao; Feng, Jian-Peng; Cao, Xiao-Ping
Total synthesis and absolute configuration of malyngamide W.
Organic & biomolecular chemistry, 2011, 9, 3817-3824
7151815 CIFC23 H19 N3 O4P -16.7967; 12.1325; 12.4682
69.546; 81.774; 85.665
953.04Lin, Po-Tsung; Salunke, Deepak B.; Chen, Li-Hsun; Sun, Chung-Ming
Soluble polymer supported divergent synthesis of tetracyclic benzene-fused pyrazino/diazepino indoles: an advanced synthetic approach to bioactive scaffolds.
Organic & biomolecular chemistry, 2011, 9, 2925-2937
7151816 CIFC19 H18 N2 O2P 1 c 110.1275; 19.1023; 8.0831
90; 106.182; 90
1501.79Lin, Po-Tsung; Salunke, Deepak B.; Chen, Li-Hsun; Sun, Chung-Ming
Soluble polymer supported divergent synthesis of tetracyclic benzene-fused pyrazino/diazepino indoles: an advanced synthetic approach to bioactive scaffolds.
Organic & biomolecular chemistry, 2011, 9, 2925-2937
7151817 CIFC18 H20 O3P -16.6572; 9.8399; 12.3209
102.795; 99.112; 105.356
738.47Bradley, Stephen A.; Bresnan, Brian J.; Draper, Sylvia M.; Geraghty, Niall W. A.; Jeffares, Mark; McCabe, Thomas; McMurry, T Brian H; O'Brien, John E
Photochemical [2 + 2] cycloaddition reactions of 6-alkenyl-3-phenylcyclohex-2-en-1-ones: using biradical conformation control to account for exceptions to the "rule of five".
Organic & biomolecular chemistry, 2011, 9, 2959-2968
7151818 CIFC19 H22 O3P -16.6266; 10.1023; 12.3043
90.769; 96.613; 103.792
793.91Bradley, Stephen A.; Bresnan, Brian J.; Draper, Sylvia M.; Geraghty, Niall W. A.; Jeffares, Mark; McCabe, Thomas; McMurry, T Brian H; O'Brien, John E
Photochemical [2 + 2] cycloaddition reactions of 6-alkenyl-3-phenylcyclohex-2-en-1-ones: using biradical conformation control to account for exceptions to the "rule of five".
Organic & biomolecular chemistry, 2011, 9, 2959-2968
7151819 CIFC17 H18 O3P -16.121; 10.219; 12.1028
80.995; 83.01; 82.18
736.8Bradley, Stephen A.; Bresnan, Brian J.; Draper, Sylvia M.; Geraghty, Niall W. A.; Jeffares, Mark; McCabe, Thomas; McMurry, T Brian H; O'Brien, John E
Photochemical [2 + 2] cycloaddition reactions of 6-alkenyl-3-phenylcyclohex-2-en-1-ones: using biradical conformation control to account for exceptions to the "rule of five".
Organic & biomolecular chemistry, 2011, 9, 2959-2968
7151820 CIFC21 H22 O3C 1 c 117.683; 10.819; 10.206
90; 114.81; 90
1772.3Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun
Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications.
Organic & biomolecular chemistry, 2011, 9, 2868-2877
7151821 CIFC21 H22 O4P 1 21/n 114.3688; 7.7163; 18.1469
90; 111.567; 90
1871.15Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun
Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications.
Organic & biomolecular chemistry, 2011, 9, 2868-2877
7151822 CIFC28 H29 N O3P 21 21 216.0368; 13.398; 29.789
90; 90; 90
2409.4Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun
Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications.
Organic & biomolecular chemistry, 2011, 9, 2868-2877
7151823 CIFC41 H68 N6 O9P 110.4109; 11.0028; 11.3302
106.305; 94.754; 103.828
1193.8Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu
Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.
Organic & biomolecular chemistry, 2011, 9, 3303-3312
7151824 CIFC133 H248 N18 O42P 1 21 111.5605; 45.42; 15.286
90; 95.515; 90
7989.2Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu
Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.
Organic & biomolecular chemistry, 2011, 9, 3303-3312
7151825 CIFC49.5 H83 N6 O14P 112.9034; 14.8243; 16.6694
104.879; 93.483; 112.918
2791.8Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu
Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.
Organic & biomolecular chemistry, 2011, 9, 3303-3312
7151826 CIFC60.5 H109.5 N9 O13.75P 1 21 115.4487; 44.175; 21.6774
90; 96.234; 90
14706Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu
Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.
Organic & biomolecular chemistry, 2011, 9, 3303-3312
7151827 CIFC15 H20 O3P 1 21/c 111.2484; 8.5765; 12.9938
90; 105.921; 90
1205.45Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean
Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems.
Organic & biomolecular chemistry, 2011, 9, 3447-3456
7151828 CIFC14 H16 O2P -18.5532; 18.428; 8.108
93.05; 118.249; 94.88
1115.3Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean
Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems.
Organic & biomolecular chemistry, 2011, 9, 3447-3456
7151829 CIFC15 H18 O2P -18.3858; 8.9432; 16.6524
82.616; 76.245; 83.941
1199.33Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean
Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems.
Organic & biomolecular chemistry, 2011, 9, 3447-3456
7151830 CIFC17 H17 N O2 SP -15.805; 10.234; 13.495
69.524; 88.465; 89.34
750.8Rao, R. Mohan; Reddy, Upendar C. H.; Alinakhi,; Mulakayala, Naveen; Alvala, Mallika; Arunasree, M. K.; Poondra, Rajamohan R.; Iqbal, Javed; Pal, Manojit
Sequential coupling/desilylation-coupling/cyclization in a single pot under Pd/C-Cu catalysis: synthesis of 2-(hetero)aryl indoles.
Organic & biomolecular chemistry, 2011, 9, 3808-3816
7151831 CIFC27 H17 Cl2 N Se2P -16.0736; 11.6934; 17.749
74.4693; 86.7204; 73.3481
1163.33Mitamura, Takenori; Iwata, Kimiyo; Nomoto, Akihiro; Ogawa, Akiya
Photochemical intramolecular cyclization of o-alkynylaryl isocyanides with organic dichalcogenides leading to 2,4-bischalcogenated quinolines.
Organic & biomolecular chemistry, 2011, 9, 3768-3775
7151832 CIFC14 H14 N4 O7P 1 21 16.3831; 7.837; 15.41
90; 90.91; 90
770.8Goeschen, Catrin; Wibowo, Natalia; White, Jonathan M.; Wille, Uta
Damage of aromatic amino acids by the atmospheric free radical oxidant NO3˙ in the presence of NO2˙, N2O4, O3 and O2.
Organic & biomolecular chemistry, 2011, 9, 3380-3385
7151833 CIFC21 H26 O3P 1 21 19.5128; 7.9036; 12.3434
90; 109.552; 90
874.53Zhou, Bing; Li, Xiaomei; Tang, Huanyu; Miao, Zehong; Feng, Huijin; Li, Yuanchao
Total synthesis of novel D-ring-modified triptolide analogues: structure-cytotoxic activity relationship studies on the D-ring of triptolide.
Organic & biomolecular chemistry, 2011, 9, 3176-3179
7151834 CIFC20 H22 O6P 21 21 219.3443; 11.4954; 16.1665
90; 90; 90
1736.5Zhou, Bing; Li, Xiaomei; Tang, Huanyu; Miao, Zehong; Feng, Huijin; Li, Yuanchao
Total synthesis of novel D-ring-modified triptolide analogues: structure-cytotoxic activity relationship studies on the D-ring of triptolide.
Organic & biomolecular chemistry, 2011, 9, 3176-3179
7151835 CIFC12.67 H12 N O2 SP 1 21/n 16.1705; 7.7879; 18.703
90; 94.971; 90
895.4Dhara, Kalyan; Paladhi, Sushovan; Midya, Ganesh Chandra; Dash, Jyotirmayee
Synthesis of spirocyclic thiazolidinediones using ring-closing metathesis and one-pot sequential ring-closing/cross metathesis.
Organic & biomolecular chemistry, 2011, 9, 3801-3807
7151836 CIFC16 H16 O4P 1 21/n 113.741; 6.0599; 17.805
90; 109.656; 90
1396.2Hu, Jie; Liu, Lei; Yang, Shangdong; Liang, Yong-Min
Phase-transfer-catalyzed cyclization reaction of nucleophilic addition to electron-deficient 1,3-conjugated enynes for the synthesis of functionalized 4H-pyrans.
Organic & biomolecular chemistry, 2011, 9, 3375-3379
7151837 CIFC36 H32 O PP -19.0854; 13.43; 13.56
96.34; 107.73; 102.33
1512Cinar, Mehmet Emin; Vavilala, Chandrasekhar; Fan, Jian; Schmittel, Michael
The thermal C2-C6/[2 + 2] cyclisation of enyne-allenes: reversible diradical formation.
Organic & biomolecular chemistry, 2011, 9, 3776-3779
7151838 CIFC23 H22 Br N O3P 21 21 2110.5465; 13.646; 14.694
90; 90; 90
2114.7Yang, Yuan-Liang; Pei, Cheng-Kui; Shi, Min
Multifunctional chiral phosphines-catalyzed highly diastereoselective and enantioselective substitution of Morita-Baylis-Hillman adducts with oxazolones.
Organic & biomolecular chemistry, 2011, 9, 3349-3358
7151839 CIFC26 H18 N4 O2P 21 21 227.513; 12.2721; 12.3143
90; 90; 90
4157.8Yang, Li; Yang, Fei; Lan, Jingbo; Gao, Ge; You, Jingsong; Su, Xiaoyu
Rational design of BINOL-based diimidazolyl ligands: homochiral channel-like mono-component organic frameworks by hydrogen-bond-directed self-assembly.
Organic & biomolecular chemistry, 2011, 9, 2618-2621
7151840 CIFC33 H33 N5 O5P 21 21 219.261; 16.4271; 19.8316
90; 90; 90
3017.01Yang, Li; Yang, Fei; Lan, Jingbo; Gao, Ge; You, Jingsong; Su, Xiaoyu
Rational design of BINOL-based diimidazolyl ligands: homochiral channel-like mono-component organic frameworks by hydrogen-bond-directed self-assembly.
Organic & biomolecular chemistry, 2011, 9, 2618-2621
7151841 CIFC26 H18 N4 O2P 4311.95; 11.95; 21.08
90; 90; 90
3010.3Yang, Li; Yang, Fei; Lan, Jingbo; Gao, Ge; You, Jingsong; Su, Xiaoyu
Rational design of BINOL-based diimidazolyl ligands: homochiral channel-like mono-component organic frameworks by hydrogen-bond-directed self-assembly.
Organic & biomolecular chemistry, 2011, 9, 2618-2621
7151842 CIFC12 H11 F2 N O2P 1 21/n 15.8677; 12.9406; 14.433
90; 94.076; 90
1093.1Chen, Zixian; Zhu, Jiangtao; Xie, Haibo; Li, Shan; Wu, Yongming; Gong, Yuefa
A cascade process for the synthesis of gem-difluoromethylene compounds.
Organic & biomolecular chemistry, 2011, 9, 3878-3885
7151843 CIFC17 H21 Br OP 1 21 14.7575; 9.8672; 16.6178
90; 92.21; 90
779.51Bondalapati, Somasekhar; Reddy, Udagandla C.; Saha, Pipas; Saikia, Anil K.
An efficient synthesis of dihydro- and tetrahydropyrans via oxonium-ene cyclization reaction.
Organic & biomolecular chemistry, 2011, 9, 3428-3438
7151844 CIFC19 H20 O4 SP -19.8247; 11.1954; 16.1562
101.883; 95.733; 91.65
1728.04Bondalapati, Somasekhar; Reddy, Udagandla C.; Saha, Pipas; Saikia, Anil K.
An efficient synthesis of dihydro- and tetrahydropyrans via oxonium-ene cyclization reaction.
Organic & biomolecular chemistry, 2011, 9, 3428-3438
7151845 CIFC19 H20 N2 O4P 1 21/n 111.6207; 19.274; 16.3163
90; 100.451; 90
3593.9Bondalapati, Somasekhar; Reddy, Udagandla C.; Saha, Pipas; Saikia, Anil K.
An efficient synthesis of dihydro- and tetrahydropyrans via oxonium-ene cyclization reaction.
Organic & biomolecular chemistry, 2011, 9, 3428-3438
7151846 CIFC14 H8 Br2 F2 O2P 1 21/c 14.093; 5.6694; 28.901
90; 91.42; 90
670.4Moody, Justin D.; VanDerveer, Don; Smith Jr., Dennis W.; Iacono, Scott T.
Synthesis of internal fluorinated alkenes via facile aryloxylation of substituted phenols with aryl trifluorovinyl ethers
Organic & Biomolecular Chemistry, 2011, 9, 4842
7151847 CIFC14 H9 Br2 F3 O2P 1 21/c 112.711; 4.8861; 11.507
90; 96.33; 90
710.3Moody, Justin D.; VanDerveer, Don; Smith Jr., Dennis W.; Iacono, Scott T.
Synthesis of internal fluorinated alkenes via facile aryloxylation of substituted phenols with aryl trifluorovinyl ethers
Organic & Biomolecular Chemistry, 2011, 9, 4842
7151848 CIFC16 H14 F2 O4P b c a10.434; 7.7903; 17.852
90; 90; 90
1451.1Moody, Justin D.; VanDerveer, Don; Smith Jr., Dennis W.; Iacono, Scott T.
Synthesis of internal fluorinated alkenes via facile aryloxylation of substituted phenols with aryl trifluorovinyl ethers
Organic & Biomolecular Chemistry, 2011, 9, 4842
7151849 CIFC30 H32 N10 O7 SP 1 21/n 112.696; 12.411; 20.491
90; 103.912; 90
3134.1Pramanik, Avijit; Thompson, Bethtrice; Hayes, Trina; Tucker, Kimberly; Powell, Douglas R.; Bonnesen, Peter V.; Ellis, Erick D.; Lee, Ken S.; Yu, Hongtao; Hossain, Md. Alamgir
Seven-coordinate anion complex with a tren-based urea: Binding discrepancy of hydrogen sulfate in solid and solution states
Organic & Biomolecular Chemistry, 2011, 9, 4444
7151850 CIFC30 H30 N10 O3P -18.7312; 12.84; 13.682
91.989; 107.888; 100.753
1427.1Pramanik, Avijit; Thompson, Bethtrice; Hayes, Trina; Tucker, Kimberly; Powell, Douglas R.; Bonnesen, Peter V.; Ellis, Erick D.; Lee, Ken S.; Yu, Hongtao; Hossain, Md. Alamgir
Seven-coordinate anion complex with a tren-based urea: Binding discrepancy of hydrogen sulfate in solid and solution states
Organic & Biomolecular Chemistry, 2011, 9, 4444
7151851 CIFC12 H13 N3P -18.8268; 8.9764; 16.501
99.27; 96.72; 118.09
1110.1Zheng, Zisheng; Tang, Lina; Fan, Yanfeng; Qi, Xiuxiang; Du, Yunfei; Zhang-Negrerie, Daisy
Oxidative aromatic C-N bond formation: convenient synthesis of N-amino-3-nitrile-indoles via FeBr3-mediated intramolecular cyclization.
Organic & biomolecular chemistry, 2011, 9, 3714-3725
7151852 CIFC19 H18 O4P 1 21/n 112.9167; 9.8437; 13.3798
90; 107.208; 90
1625.1Han, Xingchun; Jiang, Liqing; Tang, Min; Hu, Wenhao
Diastereoselective three-component reactions of aryldiazoacetates with alcohols/water and alkynals: application to substituted enelactones.
Organic & biomolecular chemistry, 2011, 9, 3839-3843
7151853 CIFC12 H12 O4C 1 2/c 110.4347; 15.9131; 14.1048
90; 109.487; 90
2207.9Han, Xingchun; Jiang, Liqing; Tang, Min; Hu, Wenhao
Diastereoselective three-component reactions of aryldiazoacetates with alcohols/water and alkynals: application to substituted enelactones.
Organic & biomolecular chemistry, 2011, 9, 3839-3843
7151854 CIFC21 H16 Cl NP 1 21/n 111.5596; 9.9041; 13.9757
90; 91.254; 90
1599.66Khlebnikov, Alexander F.; Novikov, Mikhail S.; Golovkina, Maria V.; Petrovskii, Petr P.; Konev, Alexander S.; Yufit, Dmitry S.; Stoeckli-Evans, Helen
An efficient approach to azirino and pyrrolo-fused dibenzazepines. Conformations of substituted dibenzo[c,f]pyrrolo[1,2-a]azepines.
Organic & biomolecular chemistry, 2011, 9, 3886-3895
7151855 CIFC27 H25 N O4P 1 21/n 110.071; 25.9843; 17.0032
90; 104.46; 90
4308.6Khlebnikov, Alexander F.; Novikov, Mikhail S.; Golovkina, Maria V.; Petrovskii, Petr P.; Konev, Alexander S.; Yufit, Dmitry S.; Stoeckli-Evans, Helen
An efficient approach to azirino and pyrrolo-fused dibenzazepines. Conformations of substituted dibenzo[c,f]pyrrolo[1,2-a]azepines.
Organic & biomolecular chemistry, 2011, 9, 3886-3895
7151856 CIFC25.06 H19.13 Cl0.13 N3C 1 2/c 136.9379; 28.7704; 15.802
90; 113.74; 90
15372.1Khlebnikov, Alexander F.; Novikov, Mikhail S.; Golovkina, Maria V.; Petrovskii, Petr P.; Konev, Alexander S.; Yufit, Dmitry S.; Stoeckli-Evans, Helen
An efficient approach to azirino and pyrrolo-fused dibenzazepines. Conformations of substituted dibenzo[c,f]pyrrolo[1,2-a]azepines.
Organic & biomolecular chemistry, 2011, 9, 3886-3895
7151857 CIFC25 H19 N3P 1 21 112.6196; 5.8517; 12.6336
90; 99.29; 90
920.71Khlebnikov, Alexander F.; Novikov, Mikhail S.; Golovkina, Maria V.; Petrovskii, Petr P.; Konev, Alexander S.; Yufit, Dmitry S.; Stoeckli-Evans, Helen
An efficient approach to azirino and pyrrolo-fused dibenzazepines. Conformations of substituted dibenzo[c,f]pyrrolo[1,2-a]azepines.
Organic & biomolecular chemistry, 2011, 9, 3886-3895

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