Crystallography Open Database

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Searching journal of publication like 'Organic & biomolecular chemistry' volume of publication is 12

COD ID: 7153554
CIF file Formula: - C14 H15 N O2 -
Comments: Guo, Jiajia; Sun, Xiaoyang; Yu, Shouyun Diastereoselective synthesis of epoxide-fused benzoquinolizidine derivatives using intramolecular domino aza-Michael addition/Darzens reaction. Organic & biomolecular chemistry 12(2) (2014) 265-268
Space group: P 1 21/n 1
Cell volume: 1161.8
Cell parameters: 7.607; 16.348; 9.994; 90; 110.8; 90;  

COD ID: 7153555
CIF file Formula: - C26 H19 N3 -
Comments: Zhou, Wang; Yang, Youqing; Wang, Zhiwei; Deng, Guo-Jun Rhodium-catalyzed intermolecular hydroarylation of internal alkynes with N-1-phenylbenzotriazoles. Organic & biomolecular chemistry 12(2) (2014) 251-254
Space group: P 1 21/c 1
Cell volume: 1941.76
Cell parameters: 9.846; 26.3882; 7.7624; 90; 105.68; 90;  

COD ID: 7153556
CIF file Formula: - C17 H11 Br N2 O -
Comments: Zhang, Xiaofei; He, Qian; Xiang, Haoyue; Song, Shanshan; Miao, Zehong; Yang, Chunhao Rapid access to α-carbolines via a one-pot tandem reaction of α,β-unsaturated ketones with 2-nitrophenylacetonitrile and the anti-proliferative activities of the products. Organic & biomolecular chemistry 12(2) (2014) 355-361
Space group: P 1 21/c 1
Cell volume: 1366.94
Cell parameters: 14.5336; 6.3146; 15.7054; 90; 108.49; 90;  

COD ID: 7153557
CIF file Formula: - C19 H16 N2 -
Comments: Zhang, Xiaofei; He, Qian; Xiang, Haoyue; Song, Shanshan; Miao, Zehong; Yang, Chunhao Rapid access to α-carbolines via a one-pot tandem reaction of α,β-unsaturated ketones with 2-nitrophenylacetonitrile and the anti-proliferative activities of the products. Organic & biomolecular chemistry 12(2) (2014) 355-361
Space group: P -1
Cell volume: 728.3
Cell parameters: 4.8242; 12.372; 12.693; 104.81; 95.57; 90.93;  

COD ID: 7153558
CIF file Formula: - C12 H21 O3.5 -
Comments: Duplan, Vincent; Serba, Christelle; Garcia, Jose; Valot, Gaëlle; Barluenga, Sofia; Hoerlé, Mélanie; Cuendet, Muriel; Winssinger, Nicolas Synthesis of sesquiterpene-inspired derivatives designed for covalent binding and their inhibition of the NF-κB pathway. Organic & biomolecular chemistry 12(2) (2014) 370-375
Space group: C 1 2/c 1
Cell volume: 2473.3
Cell parameters: 25.6423; 6.0433; 16.8338; 90; 108.536; 90;  

COD ID: 7153559
CIF file Formula: - C30 H33 N4 O2 -
Comments: Mahanta, Sanjeev P.; Panda, Pradeepta K. 5,10-Diacylcalix[4]pyrroles: synthesis and anion binding studies. Organic & biomolecular chemistry 12(2) (2014) 278-285
Space group: P 1 21 1
Cell volume: 1352.5
Cell parameters: 10.3743; 12.098; 11.1576; 90; 105.03; 90;  

COD ID: 7153560
CIF file Formula: - C8 H11 N O2 -
Comments: Mahanta, Sanjeev P.; Panda, Pradeepta K. 5,10-Diacylcalix[4]pyrroles: synthesis and anion binding studies. Organic & biomolecular chemistry 12(2) (2014) 278-285
Space group: P -1
Cell volume: 751
Cell parameters: 8.37; 10.24; 10.52; 95.85; 110.15; 112.75;  

COD ID: 7153561
CIF file Formula: - C20 H23 N3 O2 -
Comments: Mahanta, Sanjeev P.; Panda, Pradeepta K. 5,10-Diacylcalix[4]pyrroles: synthesis and anion binding studies. Organic & biomolecular chemistry 12(2) (2014) 278-285
Space group: P -1
Cell volume: 927.2
Cell parameters: 8.4855; 10.2487; 11.0122; 87.534; 76.273; 85.501;  

COD ID: 7153562
CIF file Formula: - C153 H154 Cl14 Ir4 N8 O12 -
Comments: Muntaner, Jaime G.; Casarrubios, Luis; Sierra, Miguel A. Synthesis of new bioorganometallic Ir- and Rh-complexes having β-lactam containing ligands. Organic & biomolecular chemistry 12(2) (2014) 286-297
Space group: P 1 21/n 1
Cell volume: 7643.9
Cell parameters: 24.9384; 12.5149; 26.26; 90; 111.146; 90;  

COD ID: 7153563
CIF file Formula: - C37 H36 Cl N2 O3 Rh -
Comments: Muntaner, Jaime G.; Casarrubios, Luis; Sierra, Miguel A. Synthesis of new bioorganometallic Ir- and Rh-complexes having β-lactam containing ligands. Organic & biomolecular chemistry 12(2) (2014) 286-297
Space group: R -3 :H
Cell volume: 18189.2
Cell parameters: 32.2169; 32.2169; 20.2356; 90; 90; 120;  

COD ID: 7153564
CIF file Formula: - C52 H53 Cl4 Ir2 N3 O2 -
Comments: Muntaner, Jaime G.; Casarrubios, Luis; Sierra, Miguel A. Synthesis of new bioorganometallic Ir- and Rh-complexes having β-lactam containing ligands. Organic & biomolecular chemistry 12(2) (2014) 286-297
Space group: P 1 21/n 1
Cell volume: 5930.1
Cell parameters: 19.8758; 12.678; 23.5977; 90; 94.222; 90;  

COD ID: 7153565
CIF file Formula: - C37 H37 Cl3 N2 S -
Comments: Lash, Timothy D.; El-Beck, Jessica A; Ferrence, Gregory M. Synthesis, structural characterization and reactivity of heteroazuliporphyrins. Organic & biomolecular chemistry 12(2) (2014) 316-329
Space group: P n a 21
Cell volume: 3371.5
Cell parameters: 23.252; 8.8725; 16.3422; 90; 90; 90;  

COD ID: 7153566
CIF file Formula: - C37 H37 Cl3 N2 Se -
Comments: Lash, Timothy D.; El-Beck, Jessica A; Ferrence, Gregory M. Synthesis, structural characterization and reactivity of heteroazuliporphyrins. Organic & biomolecular chemistry 12(2) (2014) 316-329
Space group: P 1 21/n 1
Cell volume: 3293.4
Cell parameters: 8.1545; 26.714; 15.641; 90; 104.854; 90;  

COD ID: 7153567
CIF file Formula: - C7 H5 Br N2 O2 -
Comments: Lone, Ali Mohd; Bhat, Bilal Ahmad Metal free stereoselective synthesis of functionalized enamides. Organic & biomolecular chemistry 12(2) (2014) 242-246
Space group: P b c a
Cell volume: 1656.2
Cell parameters: 12.8346; 7.4175; 17.3968; 90; 90; 90;  

COD ID: 7153568
CIF file Formula: - C36 H38 Cl2 N10 O13 -
Comments: Caio, João M; Esteves, Teresa; Carvalho, Silvia; Moiteiro, Cristina; Félix, Vítor Azacalix[2]arene[2]triazine-based receptors bearing carboxymethyl pendant arms on nitrogen bridges: synthesis and evaluation of their coordination ability towards copper(II). Organic & biomolecular chemistry 12(4) (2014) 589-599
Space group: C 1 2/c 1
Cell volume: 3882.1
Cell parameters: 12.2611; 18.2064; 17.7004; 90; 100.734; 90;  

COD ID: 7153569
CIF file Formula: - C38 H48 N12 O9 -
Comments: Caio, João M; Esteves, Teresa; Carvalho, Silvia; Moiteiro, Cristina; Félix, Vítor Azacalix[2]arene[2]triazine-based receptors bearing carboxymethyl pendant arms on nitrogen bridges: synthesis and evaluation of their coordination ability towards copper(II). Organic & biomolecular chemistry 12(4) (2014) 589-599
Space group: P -1
Cell volume: 2012.75
Cell parameters: 10.6377; 12.7007; 15.6556; 96.879; 90.055; 106.439;  

COD ID: 7153570
CIF file Formula: - C44 H66 Cl6 N12 -
Comments: Caio, João M; Esteves, Teresa; Carvalho, Silvia; Moiteiro, Cristina; Félix, Vítor Azacalix[2]arene[2]triazine-based receptors bearing carboxymethyl pendant arms on nitrogen bridges: synthesis and evaluation of their coordination ability towards copper(II). Organic & biomolecular chemistry 12(4) (2014) 589-599
Space group: P 1 21/c 1
Cell volume: 4980.7
Cell parameters: 11.5804; 14.7466; 29.1684; 90; 90.758; 90;  

COD ID: 7153571
CIF file Formula: - C29 H26 Br N O5 -
Comments: Ramachary, Dhevalapally B.; Prasad, M. Shiva; Laxmi, S. Vijaya; Madhavachary, R. Asymmetric synthesis of drug-like spiro[chroman-3,3'-indolin]-2'-ones through aminal-catalysis. Organic & biomolecular chemistry 12(4) (2014) 574-580
Space group: P 1 21 1
Cell volume: 1311.23
Cell parameters: 9.2088; 11.1545; 13.3119; 90; 106.479; 90;  

COD ID: 7153572
CIF file Formula: - C10 H8 F2 O -
Comments: Zhang, He; Lin, Jin-Hong; Xiao, Ji-Chang; Gu, Yu-Cheng Rh-catalyzed allylic C-F bond activation: the stereoselective synthesis of trisubstituted monofluoroalkenes and a mechanism study. Organic & biomolecular chemistry 12(4) (2014) 581-588
Space group: C 1 2/c 1
Cell volume: 1648.1
Cell parameters: 37.981; 3.8785; 11.276; 90; 97.157; 90;  

COD ID: 7153573
CIF file Formula: - C26 H18 I N O -
Comments: Wang, Li-Jing; Zhu, Hai-Tao; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min Electrophilic ipso-iodocyclization of N-benzyl-N-(1-naphthyl)propiolamides: synthesis of complex polycyclic lactams. Organic & biomolecular chemistry 12(4) (2014) 643-650
Space group: P -1
Cell volume: 2042.31
Cell parameters: 9.6284; 11.7266; 19.1651; 75.073; 77.631; 87.141;  

COD ID: 7153574
CIF file Formula: - C22 H16 I N O -
Comments: Wang, Li-Jing; Zhu, Hai-Tao; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min Electrophilic ipso-iodocyclization of N-benzyl-N-(1-naphthyl)propiolamides: synthesis of complex polycyclic lactams. Organic & biomolecular chemistry 12(4) (2014) 643-650
Space group: P b c a
Cell volume: 3713.9
Cell parameters: 10.5172; 17.5717; 20.0963; 90; 90; 90;  

COD ID: 7153575
CIF file Formula: - C28 H38 O8 -
Comments: Buccini, Marco; Punch, Kathryn A.; Kaskow, Belinda; Flematti, Gavin R.; Skelton, Brian W.; Abraham, Lawrence J.; Piggott, Matthew J. Ethynylbenzenoid metabolites of Antrodia camphorata: synthesis and inhibition of TNF expression. Organic & biomolecular chemistry 12(7) (2014) 1100-1113
Space group: P 1 21/c 1
Cell volume: 1326
Cell parameters: 9.569; 8.0724; 17.2904; 90; 96.872; 90;  

COD ID: 7153576
CIF file Formula: - C29 H32 O9 -
Comments: Buccini, Marco; Punch, Kathryn A.; Kaskow, Belinda; Flematti, Gavin R.; Skelton, Brian W.; Abraham, Lawrence J.; Piggott, Matthew J. Ethynylbenzenoid metabolites of Antrodia camphorata: synthesis and inhibition of TNF expression. Organic & biomolecular chemistry 12(7) (2014) 1100-1113
Space group: P 1 21 1
Cell volume: 1324
Cell parameters: 7.3517; 18.103; 10.012; 90; 96.47; 90;  

COD ID: 7153577
CIF file Formula: - C20 H12 N4 O4 S2 -
Comments: Pal, Suman; Hatai, Joydev; Samanta, Mousumi; Shaurya, Alok; Bandyopadhyay, Subhajit A highly selective chemodosimeter for fast detection and intracellular imaging of Hg(2+) ions based on a dithiocarbamate-isothiocyanate conversion in aqueous ethanol. Organic & biomolecular chemistry 12(7) (2014) 1072-1078
Space group: P 1 21/c 1
Cell volume: 1849.1
Cell parameters: 8.987; 13.788; 15.365; 90; 103.787; 90;  

COD ID: 7153578
CIF file Formula: - C46 H46 N4 O5 -
Comments: Mei, Liang-Yong; Tang, Xiang-Ying; Shi, Min Rhodium-catalyzed three-component reaction of 3-diazooxindoles with indoles and isatin-derived ketimines: a facile and versatile approach to functionalized 3,3',3''-trisindoles. Organic & biomolecular chemistry 12(7) (2014) 1149-1156
Space group: P -1
Cell volume: 3942.5
Cell parameters: 8.9744; 18.096; 24.959; 97.516; 99.857; 93.864;  

COD ID: 7153579
CIF file Formula: - C32 H24 F6 N2 -
Comments: Zhang, Lisi; Li, Yajun; Zhang, Li; Wu, Yongming Vicinal bis(trifluoroacetimidoyl chloride)s: novel building blocks for the synthesis of benzo-fused eight-membered rings via [2 + 2 + 2] cycloadditions. Organic & biomolecular chemistry 12(7) (2014) 1040-1043
Space group: P -1
Cell volume: 1341
Cell parameters: 10.4678; 11.7231; 11.8283; 69.655; 86.031; 80.188;  

COD ID: 7153580
CIF file Formula: - C24 H31 Cl2 Mn N5 O -
Comments: Ilyashenko, Gennadiy; De Faveri, Giorgio; Follier, Thomas; Al-Safadi, Rawan; Motevalli, Majid; Watkinson, Michael Catalytic and mechanistic studies into the epoxidation of styrenes using manganese complexes of structurally similar polyamine ligands. Organic & biomolecular chemistry 12(7) (2014) 1124-1134
Space group: P 1 21 1
Cell volume: 1226.8
Cell parameters: 9.567; 15.054; 9.7671; 90; 119.292; 90;  

COD ID: 7153581
CIF file Formula: - C18 H17 F3 N2 O5 -
Comments: Liu, Feng-Lei; Chen, Jia-Rong; Feng, Bin; Hu, Xiao-Qiang; Ye, Li-Hua; Lu, Liang-Qiu; Xiao, Wen-Jing Enantioselective organocatalytic oxa-Michael addition of oximes to β-CF3-β-disubstituted nitroalkenes: efficient synthesis of β-amino-α-trifluoromethyl alcohols. Organic & biomolecular chemistry 12(7) (2014) 1057-1060
Space group: P 1 21 1
Cell volume: 932.2
Cell parameters: 9.293; 9.873; 10.265; 90; 98.175; 90;  

COD ID: 7153582
CIF file Formula: - C16 H13 N O -
Comments: Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines. Organic & biomolecular chemistry 12(10) (2014) 1551-1555
Space group: P 1 21/c 1
Cell volume: 1233.7
Cell parameters: 9.286; 11.358; 11.827; 90; 98.495; 90;  

COD ID: 7153583
CIF file Formula: - C20 H19 N O2 -
Comments: Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines. Organic & biomolecular chemistry 12(10) (2014) 1551-1555
Space group: P -1
Cell volume: 831.62
Cell parameters: 9.1844; 9.6681; 10.4799; 81.098; 65.775; 79.753;  

COD ID: 7153584
CIF file Formula: - C22 H17 N O -
Comments: Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines. Organic & biomolecular chemistry 12(10) (2014) 1551-1555
Space group: P 1 21/c 1
Cell volume: 1574.5
Cell parameters: 10.5099; 17.731; 9.3383; 90; 115.207; 90;  

COD ID: 7153585
CIF file Formula: - C12 H13 N O2 -
Comments: Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines. Organic & biomolecular chemistry 12(10) (2014) 1551-1555
Space group: P b c a
Cell volume: 2107.3
Cell parameters: 14.886; 8.048; 17.59; 90; 90; 90;  

COD ID: 7153586
CIF file Formula: - C16 H19 N O3 -
Comments: Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines. Organic & biomolecular chemistry 12(10) (2014) 1551-1555
Space group: P 1 21 1
Cell volume: 702.7
Cell parameters: 4.9759; 13.292; 10.625; 90; 90.818; 90;  

COD ID: 7153587
CIF file Formula: - C25 H25 N2 O6 P -
Comments: George, Jimil; Sridhar, B.; Reddy, B. V. Subba First example of quinine-squaramide catalyzed enantioselective addition of diphenyl phosphite to ketimines derived from isatins. Organic & biomolecular chemistry 12(10) (2014) 1595-1602
Space group: P 21 21 21
Cell volume: 2427.5
Cell parameters: 8.901; 12.206; 22.343; 90; 90; 90;  

COD ID: 7153588
CIF file Formula: - C15 H11 B F2 O4 -
Comments: Bai, Guifeng; Yu, Changjiang; Cheng, Chi; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan Syntheses and photophysical properties of BF2 complexes of curcumin analogues. Organic & biomolecular chemistry 12(10) (2014) 1618-1626
Space group: P 1 21/n 1
Cell volume: 1434.3
Cell parameters: 7.3288; 19.338; 10.3913; 90; 103.117; 90;  

COD ID: 7153589
CIF file Formula: - C23 H19 B F2 O2 -
Comments: Bai, Guifeng; Yu, Changjiang; Cheng, Chi; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan Syntheses and photophysical properties of BF2 complexes of curcumin analogues. Organic & biomolecular chemistry 12(10) (2014) 1618-1626
Space group: C 1 2/c 1
Cell volume: 1992.4
Cell parameters: 16.957; 11.8082; 9.9913; 90; 95.18; 90;  

COD ID: 7153590
CIF file Formula: - C19 H28 N2 O4 -
Comments: Sartori, Andrea; Dell'amico, Luca; Battistini, Lucia; Curti, Claudio; Rivara, Silvia; Pala, Daniele; Kerry, Philip S.; Pelosi, Giorgio; Casiraghi, Giovanni; Rassu, Gloria; Zanardi, Franca Synthesis, structure and inhibitory activity of a stereoisomer of oseltamivir carboxylate. Organic & biomolecular chemistry 12(10) (2014) 1561-1569
Space group: P 1 21 1
Cell volume: 980
Cell parameters: 8.999; 8.057; 14.015; 90; 105.34; 90;  

COD ID: 7153591
CIF file Formula: - C18 H17 N O3 -
Comments: Nandakumar, Avanashiappan; Kiruthika, Selvarangam E.; Naveen, Kanagaraj; Perumal, Paramasivan Thirumalai Pd(0)-catalyzed regio- and stereoselective cyclization of alkynes: selective synthesis of (E)-4-(isobenzofuran-1(3H)-ylidene)-1,2,3,4-tetrahydroisoquinolines and aze/oxepinoindoles. Organic & biomolecular chemistry 12(6) (2014) 876-880
Space group: P 21 21 21
Cell volume: 2971.39
Cell parameters: 9.3972; 16.1308; 19.6022; 90; 90; 90;  

COD ID: 7153592
CIF file Formula: - C78 H80 Cl4 F12 N4 O4 S4 Zn -
Comments: Ordronneau, Lucie; Boixel, Julien; Aubert, Vincent; Vidal, Matias S.; Moya, Sergio; Aguirre, Pedro; Toupet, Loic; Williams, J. A. Gareth; Le Bozec, Hubert; Guerchais, Véronique New fluorescent bis-dithienylethene (DTE)-based bipyridines as reverse interrupters: single vs. double photochromism. Organic & biomolecular chemistry 12(6) (2014) 979-992
Space group: C 1 2/c 1
Cell volume: 8156.2
Cell parameters: 34.635; 8.5799; 27.476; 90; 92.652; 90;  

COD ID: 7153593
CIF file Formula: - C22 H18 O3 -
Comments: Poudel, Tej Narayan; Lee, Yong Rok An advanced and novel one-pot synthetic method for diverse benzo[c]chromen-6-ones by transition-metal free mild base-promoted domino reactions of substituted 2-hydroxychalcones with β-ketoesters and its application to polysubstituted terphenyls. Organic & biomolecular chemistry 12(6) (2014) 919-930
Space group: P -1
Cell volume: 1644.3
Cell parameters: 10.8607; 11.4179; 15.2714; 83.181; 80.292; 61.859;  

COD ID: 7153594
CIF file Formula: - C17 H17 N -
Comments: Thomas, Claudia; Kataeva, Olga; Schmidt, Arndt W.; Knölker, Hans-Joachim Regioselective prenylation of bromocarbazoles by palladium(0)-catalysed cross coupling - synthesis of O-methylsiamenol, O-methylmicromeline and carquinostatin A. Organic & biomolecular chemistry 12(6) (2014) 872-875
Space group: C 1 2/c 1
Cell volume: 7953
Cell parameters: 59.25; 5.953; 22.55; 90; 90.93; 90;  

COD ID: 7153595
CIF file Formula: - C36 H56.5 N7 O9 S -
Comments: De Poli, Matteo; Clayden, Jonathan Thionoglycine as a multifunctional spectroscopic reporter of screw-sense preference in helical foldamers. Organic & biomolecular chemistry 12(5) (2014) 836-843
Space group: P 1
Cell volume: 2100.47
Cell parameters: 9.5236; 14.224; 16.822; 109.168; 92.395; 100.881;  

COD ID: 7153596
CIF file Formula: - C34 H53 N7 O9 S -
Comments: De Poli, Matteo; Clayden, Jonathan Thionoglycine as a multifunctional spectroscopic reporter of screw-sense preference in helical foldamers. Organic & biomolecular chemistry 12(5) (2014) 836-843
Space group: P 1
Cell volume: 2032.06
Cell parameters: 9.5005; 14.2234; 15.3975; 89.612; 84.675; 78.797;  

COD ID: 7153597
CIF file Formula: - C29 H20 N2 O -
Comments: Lu, Hui; Yang, Qin; Zhou, Yirong; Guo, Yanqin; Deng, Zhihong; Ding, Qiuping; Peng, Yiyuan Cross-coupling/annulations of quinazolones with alkynes for access to fused polycyclic heteroarenes under mild conditions. Organic & biomolecular chemistry 12(5) (2014) 758-764
Space group: P -1
Cell volume: 1039.4
Cell parameters: 10.233; 10.817; 10.864; 62.661; 78.149; 89.945;  

COD ID: 7153598
CIF file Formula: - C30 H22 N2 O2 -
Comments: Lu, Hui; Yang, Qin; Zhou, Yirong; Guo, Yanqin; Deng, Zhihong; Ding, Qiuping; Peng, Yiyuan Cross-coupling/annulations of quinazolones with alkynes for access to fused polycyclic heteroarenes under mild conditions. Organic & biomolecular chemistry 12(5) (2014) 758-764
Space group: P -1
Cell volume: 2281.8
Cell parameters: 13.242; 13.337; 16.05; 67.201; 81.584; 60.973;  

COD ID: 7153599
CIF file Formula: - C24 H18 N2 O -
Comments: Lu, Hui; Yang, Qin; Zhou, Yirong; Guo, Yanqin; Deng, Zhihong; Ding, Qiuping; Peng, Yiyuan Cross-coupling/annulations of quinazolones with alkynes for access to fused polycyclic heteroarenes under mild conditions. Organic & biomolecular chemistry 12(5) (2014) 758-764
Space group: P c a 21
Cell volume: 3554.8
Cell parameters: 13.5728; 18.3397; 14.2808; 90; 90; 90;  

COD ID: 7153600
CIF file Formula: - C18 H24 O4 -
Comments: Zhang, Hongrui; Li, Haifeng; Xue, Jijun; Chen, Rui; Li, Ying; Tang, Yu; Li, Chunxin New facile enantio- and diastereo-selective syntheses of (-)-triptonide and (-)-triptolide. Organic & biomolecular chemistry 12(5) (2014) 732-736
Space group: I 1 2 1
Cell volume: 1662.7
Cell parameters: 16.9067; 7.6918; 13.0515; 90; 101.576; 90;  

COD ID: 7153601
CIF file Formula: - C17 H14 O4 -
Comments: Zhang, Hongrui; Li, Haifeng; Xue, Jijun; Chen, Rui; Li, Ying; Tang, Yu; Li, Chunxin New facile enantio- and diastereo-selective syntheses of (-)-triptonide and (-)-triptolide. Organic & biomolecular chemistry 12(5) (2014) 732-736
Space group: P 21 21 21
Cell volume: 1351.7
Cell parameters: 8.85; 12.001; 12.727; 90; 90; 90;  

COD ID: 7153602
CIF file Formula: - C20 H17 Br N2 O4 -
Comments: Kano, Taichi; Takechi, Ryosuke; Kobayashi, Ryohei; Maruoka, Keiji Chiral Brønsted acid-catalyzed enantioselective addition of indoles to ketimines. Organic & biomolecular chemistry 12(5) (2014) 724-727
Space group: P 1 21 1
Cell volume: 916.6
Cell parameters: 9.24936; 10.4306; 9.62893; 90; 99.3592; 90;  

COD ID: 7153603
CIF file Formula: - C16 H12 F3 N -
Comments: Das, Bimolendu; Kundu, Priyanka; Chowdhury, Chinmay Facile synthesis of 2-arylmethylindoles and 2-vinylic indoles through palladium-catalyzed heteroannulations of 2-(2-propynyl)aniline and 2-(2-propynyl)tosylanilide. Organic & biomolecular chemistry 12(5) (2014) 741-748
Space group: P -1
Cell volume: 1327.3
Cell parameters: 9.5871; 10.4916; 14.112; 93.549; 109.31; 95.346;  

COD ID: 7153604
CIF file Formula: - C34 H46 Br N5 O6 -
Comments: Nair, Roshna V.; Kotmale, Amol S.; Dhokale, Snehal A.; Gawade, Rupesh L.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J. Formation of a pseudo-β-hairpin motif utilizing the Ant-Pro reverse turn: consequences of stereochemical reordering. Organic & biomolecular chemistry 12(5) (2014) 774-782
Space group: P 21 21 21
Cell volume: 3635
Cell parameters: 9.6704; 9.8238; 38.263; 90; 90; 90;  

COD ID: 7153605
CIF file Formula: - C26 H26 N2 O -
Comments: Pereshivko, Olga P.; Peshkov, Vsevolod A.; Peshkov, Anatoly A.; Jacobs, Jeroen; Van Meervelt, Luc; Van der Eycken, Erik V. Unexpected regio- and chemoselectivity of cationic gold-catalyzed cycloisomerizations of propargylureas: access to tetrasubstituted 3,4-dihydropyrimidin-2(1H)-ones. Organic & biomolecular chemistry 12(11) (2014) 1741-1750
Space group: P -1
Cell volume: 1034.8
Cell parameters: 7.8694; 10.0748; 13.8855; 101.946; 92.094; 105.143;  

COD ID: 7153606
CIF file Formula: - C26 H26 N2 O -
Comments: Pereshivko, Olga P.; Peshkov, Vsevolod A.; Peshkov, Anatoly A.; Jacobs, Jeroen; Van Meervelt, Luc; Van der Eycken, Erik V. Unexpected regio- and chemoselectivity of cationic gold-catalyzed cycloisomerizations of propargylureas: access to tetrasubstituted 3,4-dihydropyrimidin-2(1H)-ones. Organic & biomolecular chemistry 12(11) (2014) 1741-1750
Space group: P 1 21/n 1
Cell volume: 2127.2
Cell parameters: 9.963; 10.2126; 21.0844; 90; 97.452; 90;  

COD ID: 7153607
CIF file Formula: - C24 H21 N O3 S -
Comments: Jalal, Swapnadeep; Bera, Krishnendu; Sarkar, Soumen; Paul, Kartick; Jana, Umasish Efficient synthesis of functionalized dihydroquinolines, quinolines and dihydrobenzo[b]azepine via an iron(iii) chloride-catalyzed intramolecular alkyne-carbonyl metathesis of alkyne tethered 2-amino benzaldehyde/acetophenone derivatives. Organic & biomolecular chemistry 12(11) (2014) 1759-1770
Space group: P -1
Cell volume: 1161.56
Cell parameters: 8.3806; 11.1445; 13.0469; 107.1; 90.343; 93.898;  

COD ID: 7153608
CIF file Formula: - C50 H36 B2 F12 N4 -
Comments: Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups. Organic & biomolecular chemistry 12(8) (2014) 1309-1317
Space group: P 1 21/m 1
Cell volume: 2516.6
Cell parameters: 9.124; 23.4937; 12.015; 90; 102.275; 90;  

COD ID: 7153609
CIF file Formula: - C58 H52 B2 F12 N4 O2 -
Comments: Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups. Organic & biomolecular chemistry 12(8) (2014) 1309-1317
Space group: P 1 21/c 1
Cell volume: 5214.1
Cell parameters: 16.7527; 15.1798; 23.1208; 90; 117.527; 90;  

COD ID: 7153610
CIF file Formula: - C48 H32 B2 F12 N4 -
Comments: Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups. Organic & biomolecular chemistry 12(8) (2014) 1309-1317
Space group: C 1 2/c 1
Cell volume: 9855.2
Cell parameters: 11.4237; 40.4906; 21.6705; 90; 100.521; 90;  

COD ID: 7153611
CIF file Formula: - C60 H52 B2 Cl2 F4 N8 -
Comments: Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups. Organic & biomolecular chemistry 12(8) (2014) 1309-1317
Space group: P -1
Cell volume: 2851.07
Cell parameters: 10.04744; 17.2665; 18.6317; 112.428; 92.3032; 104.987;  

COD ID: 7153612
CIF file Formula: - C54 H40 B2 F4 N8 -
Comments: Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups. Organic & biomolecular chemistry 12(8) (2014) 1309-1317
Space group: P 1 21/c 1
Cell volume: 5755.1
Cell parameters: 12.3328; 26.4067; 19.8528; 90; 117.109; 90;  

COD ID: 7153613
CIF file Formula: - C28 H28 Cl N3 Ni O3 -
Comments: Bergagnini, Mackenzie; Fukushi, Kazunobu; Han, Jianlin; Shibata, Norio; Roussel, Christian; Ellis, Trevor K.; Aceña, José Luis; Soloshonok, Vadim A. NH-type of chiral Ni(ii) complexes of glycine Schiff base: design, structural evaluation, reactivity and synthetic applications. Organic & biomolecular chemistry 12(8) (2014) 1278-1291
Space group: P -1
Cell volume: 1255.5
Cell parameters: 9.263; 10.294; 13.643; 86.448; 75.238; 89.471;  

COD ID: 7153614
CIF file Formula: - C H N O S -
Comments: Sivaraman, Mahalingam; Perumal, Paramasivan T. Synthesis of tetracyclic chromenones via platinum(ii) chloride catalysed cascade cyclization of enediyne-enones. Organic & biomolecular chemistry 12(8) (2014) 1318-1327
Space group: P b c a
Cell volume: 3205.65
Cell parameters: 13.4815; 8.2127; 28.9529; 90; 90; 90;  

COD ID: 7153615
CIF file Formula: - C17 H12 N2 O0 -
Comments: Lin, Shaoxia; Li, Mengru; Dong, Zhiyong; Liang, Fushun; Zhang, Jingping Hypervalent iodine(iii)-mediated cyclopropa(e)nation of alkenes/alkynes under mild conditions. Organic & biomolecular chemistry 12(8) (2014) 1341-1350
Space group: P -1
Cell volume: 673.34
Cell parameters: 7.8303; 8.7435; 10.6132; 89.682; 88.864; 67.949;  

COD ID: 7153616
CIF file Formula: - C18 H12 N2 O -
Comments: Lin, Shaoxia; Li, Mengru; Dong, Zhiyong; Liang, Fushun; Zhang, Jingping Hypervalent iodine(iii)-mediated cyclopropa(e)nation of alkenes/alkynes under mild conditions. Organic & biomolecular chemistry 12(8) (2014) 1341-1350
Space group: P 1 21/c 1
Cell volume: 1384.71
Cell parameters: 11.3178; 15.0624; 8.1854; 90; 97.093; 90;  

COD ID: 7153617
CIF file Formula: - C19 H16 Br O4 P -
Comments: Alegre-Requena, Juan V; Marqués-López, Eugenia; Sanz Miguel, Pablo J.; Herrera, Raquel P. Organocatalytic enantioselective hydrophosphonylation of aldehydes. Organic & biomolecular chemistry 12(8) (2014) 1258-1264
Space group: P 21 21 2
Cell volume: 1805.9
Cell parameters: 9.2741; 38.324; 5.081; 90; 90; 90;  

COD ID: 7153618
CIF file Formula: - C19 H16 Cl O4 P -
Comments: Alegre-Requena, Juan V; Marqués-López, Eugenia; Sanz Miguel, Pablo J.; Herrera, Raquel P. Organocatalytic enantioselective hydrophosphonylation of aldehydes. Organic & biomolecular chemistry 12(8) (2014) 1258-1264
Space group: P 21 21 21
Cell volume: 1719.7
Cell parameters: 6.2873; 12.402; 22.054; 90; 90; 90;  

COD ID: 7153619
CIF file Formula: - C28 H29 N3 O2 Se -
Comments: Balkrishna, Shah Jaimin; Kumar, Shailesh; Azad, Gajendra Kumar; Bhakuni, Bhagat Singh; Panini, Piyush; Ahalawat, Navjeet; Tomar, Raghuvir Singh; Detty, Michael R.; Kumar, Sangit An ebselen like catalyst with enhanced GPx activity via a selenol intermediate. Organic & biomolecular chemistry 12(8) (2014) 1215-1219
Space group: P 21 21 21
Cell volume: 2552.5
Cell parameters: 9.29; 16.2681; 16.8894; 90; 90; 90;  

COD ID: 7153620
CIF file Formula: - C29 H35 N3 O4 Se -
Comments: Balkrishna, Shah Jaimin; Kumar, Shailesh; Azad, Gajendra Kumar; Bhakuni, Bhagat Singh; Panini, Piyush; Ahalawat, Navjeet; Tomar, Raghuvir Singh; Detty, Michael R.; Kumar, Sangit An ebselen like catalyst with enhanced GPx activity via a selenol intermediate. Organic & biomolecular chemistry 12(8) (2014) 1215-1219
Space group: P 1 21 1
Cell volume: 1396.1
Cell parameters: 9.5877; 15.441; 10.176; 90; 112.072; 90;  

COD ID: 7153621
CIF file Formula: - C15 H13 N O Se -
Comments: Balkrishna, Shah Jaimin; Kumar, Shailesh; Azad, Gajendra Kumar; Bhakuni, Bhagat Singh; Panini, Piyush; Ahalawat, Navjeet; Tomar, Raghuvir Singh; Detty, Michael R.; Kumar, Sangit An ebselen like catalyst with enhanced GPx activity via a selenol intermediate. Organic & biomolecular chemistry 12(8) (2014) 1215-1219
Space group: P 1 21/c 1
Cell volume: 1290.03
Cell parameters: 10.4368; 10.9926; 11.5312; 90; 102.807; 90;  

COD ID: 7153622
CIF file Formula: - C24 H16 O -
Comments: Dimitrijević, Elena; Cusimano, Madeline; Taylor, Mark S. Synthesis of benzannulated heterocycles by twofold Suzuki-Miyaura couplings of cyclic diarylborinic acids. Organic & biomolecular chemistry 12(9) (2014) 1391-1394
Space group: P 1 21/n 1
Cell volume: 1640.6
Cell parameters: 8.0403; 23.243; 9.3718; 90; 110.49; 90;  

COD ID: 7153623
CIF file Formula: - C11 H8 N4 -
Comments: Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles. Organic & biomolecular chemistry 12(9) (2014) 1475-1487
Space group: P 1 21/c 1
Cell volume: 918.1
Cell parameters: 11.2914; 3.7335; 21.924; 90; 96.597; 90;  

COD ID: 7153624
CIF file Formula: - C11 H8 N2 S -
Comments: Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles. Organic & biomolecular chemistry 12(9) (2014) 1475-1487
Space group: P 1 21 1
Cell volume: 470.03
Cell parameters: 6.4535; 7.2728; 10.4085; 90; 105.814; 90;  

COD ID: 7153625
CIF file Formula: - C12 H8 I N3 -
Comments: Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles. Organic & biomolecular chemistry 12(9) (2014) 1475-1487
Space group: P 1 21/c 1
Cell volume: 1111.68
Cell parameters: 8.0045; 15.6507; 9.0232; 90; 100.439; 90;  

COD ID: 7153626
CIF file Formula: - C12 H8 I N3 -
Comments: Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles. Organic & biomolecular chemistry 12(9) (2014) 1475-1487
Space group: P 1 21/n 1
Cell volume: 1104.26
Cell parameters: 9.9051; 7.572; 14.9735; 90; 100.491; 90;  

COD ID: 7153627
CIF file Formula: - C13 H10 I N3 O -
Comments: Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles. Organic & biomolecular chemistry 12(9) (2014) 1475-1487
Space group: P 1 21/a 1
Cell volume: 1234.09
Cell parameters: 12.1661; 7.275; 14.9877; 90; 111.517; 90;  

COD ID: 7153628
CIF file Formula: - C10 H6 I N3 S -
Comments: Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles. Organic & biomolecular chemistry 12(9) (2014) 1475-1487
Space group: P 1 21/c 1
Cell volume: 1099.3
Cell parameters: 6.6989; 8.5117; 19.409; 90; 96.629; 90;  

COD ID: 7153629
CIF file Formula: - C12 H7 I2 N3 -
Comments: Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles. Organic & biomolecular chemistry 12(9) (2014) 1475-1487
Space group: P 21 21 21
Cell volume: 1244.35
Cell parameters: 4.4884; 12.4932; 22.191; 90; 90; 90;  

COD ID: 7153630
CIF file Formula: - C12 H6 Cl I2 N3 -
Comments: Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles. Organic & biomolecular chemistry 12(9) (2014) 1475-1487
Space group: P b c 21
Cell volume: 1355.5
Cell parameters: 4.0838; 14.2493; 23.294; 90; 90; 90;  

COD ID: 7153631
CIF file Formula: - C12 H6 Cl I2 N3 -
Comments: Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles. Organic & biomolecular chemistry 12(9) (2014) 1475-1487
Space group: P -1
Cell volume: 662.94
Cell parameters: 7.1169; 8.2892; 12.3378; 77.399; 74.075; 73.384;  

COD ID: 7153632
CIF file Formula: - C13 H6 F3 I2 N3 -
Comments: Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles. Organic & biomolecular chemistry 12(9) (2014) 1475-1487
Space group: P 1 21/a 1
Cell volume: 1495.3
Cell parameters: 13.3; 5.2093; 21.672; 90; 95.208; 90;  

COD ID: 7153633
CIF file Formula: - C13 H9 I2 N3 O -
Comments: Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles. Organic & biomolecular chemistry 12(9) (2014) 1475-1487
Space group: P 1 21/c 1
Cell volume: 1427.25
Cell parameters: 8.2536; 15.6664; 11.6615; 90; 108.822; 90;  

COD ID: 7153634
CIF file Formula: - C13 H9 I2 N3 O -
Comments: Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles. Organic & biomolecular chemistry 12(9) (2014) 1475-1487
Space group: P 1 21/n 1
Cell volume: 1374.12
Cell parameters: 4.2004; 20.7217; 15.9102; 90; 97.125; 90;  

COD ID: 7153635
CIF file Formula: - C10 H5 I2 N3 S -
Comments: Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles. Organic & biomolecular chemistry 12(9) (2014) 1475-1487
Space group: P b c 21
Cell volume: 2401.77
Cell parameters: 4.104; 22.5488; 25.9538; 90; 90; 90;  

COD ID: 7153636
CIF file Formula: - C30 H28 N4 O6 Pd2 -
Comments: Cheng, Tao; Yin, Weiyu; Zhang, Yi; Zhang, Yingnan; Huang, Yong Palladium catalyzed acetoxylation of benzylic C-H bonds using a bidentate picolinamide directing group. Organic & biomolecular chemistry 12(9) (2014) 1405-1411
Space group: C 1 2/c 1
Cell volume: 3263.5
Cell parameters: 16.5855; 15.6566; 14.3263; 90; 118.686; 90;  

COD ID: 7153637
CIF file Formula: - C14 H20 N2 O S -
Comments: Haynes, Cally J. E.; Busschaert, Nathalie; Kirby, Isabelle L.; Herniman, Julie; Light, Mark E.; Wells, Neil J.; Marques, Igor; Félix, Vítor; Gale, Philip A. Acylthioureas as anion transporters: the effect of intramolecular hydrogen bonding. Organic & biomolecular chemistry 12(1) (2014) 62-72
Space group: P 1 21/c 1
Cell volume: 1396.8
Cell parameters: 3.9805; 21.132; 16.71; 90; 96.391; 90;  

COD ID: 7153638
CIF file Formula: - C15 H19 F3 N2 O S -
Comments: Haynes, Cally J. E.; Busschaert, Nathalie; Kirby, Isabelle L.; Herniman, Julie; Light, Mark E.; Wells, Neil J.; Marques, Igor; Félix, Vítor; Gale, Philip A. Acylthioureas as anion transporters: the effect of intramolecular hydrogen bonding. Organic & biomolecular chemistry 12(1) (2014) 62-72
Space group: P -1
Cell volume: 1596.4
Cell parameters: 9.6713; 12.217; 14.0933; 95.844; 92.324; 104.975;  

COD ID: 7153639
CIF file Formula: - C15 H22 N2 O2 S -
Comments: Haynes, Cally J. E.; Busschaert, Nathalie; Kirby, Isabelle L.; Herniman, Julie; Light, Mark E.; Wells, Neil J.; Marques, Igor; Félix, Vítor; Gale, Philip A. Acylthioureas as anion transporters: the effect of intramolecular hydrogen bonding. Organic & biomolecular chemistry 12(1) (2014) 62-72
Space group: P 1 21/c 1
Cell volume: 1555.4
Cell parameters: 18.395; 8.682; 9.855; 90; 98.783; 90;  

COD ID: 7153640
CIF file Formula: - C14 H20 N2 O2 -
Comments: Haynes, Cally J. E.; Busschaert, Nathalie; Kirby, Isabelle L.; Herniman, Julie; Light, Mark E.; Wells, Neil J.; Marques, Igor; Félix, Vítor; Gale, Philip A. Acylthioureas as anion transporters: the effect of intramolecular hydrogen bonding. Organic & biomolecular chemistry 12(1) (2014) 62-72
Space group: P 1 21/c 1
Cell volume: 1306.3
Cell parameters: 5.166; 34.07; 7.566; 90; 101.193; 90;  

COD ID: 7153641
CIF file Formula: - C15 H25 B O4 Si -
Comments: Goggins, Sean; Rosevere, Eleanor; Bellini, Clément; Allen, Joseph C.; Marsh, Barrie J.; Mahon, Mary F.; Frost, Christopher G. Silyl-protected dioxaborinanes: application in the Suzuki cross-coupling reaction. Organic & biomolecular chemistry 12(1) (2014) 47-52
Space group: P c a b
Cell volume: 3490.64
Cell parameters: 12.5; 12.661; 22.056; 90; 90; 90;  

COD ID: 7153642
CIF file Formula: - C16.5 H16 N6 O1.5 -
Comments: Lebraud, Honorine; Coxon, Christopher R.; Archard, Victoria S.; Bawn, Carlo M.; Carbain, Benoit; Matheson, Christopher J.; Turner, David M.; Cano, Celine; Griffin, Roger J.; Hardcastle, Ian R.; Baisch, Ulrich; Harrington, Ross W.; Golding, Bernard T. Model system for irreversible inhibition of Nek2: thiol addition to ethynylpurines and related substituted heterocycles. Organic & biomolecular chemistry 12(1) (2014) 141-148
Space group: P 1 21/n 1
Cell volume: 3137.2
Cell parameters: 15.373; 14.1912; 16.2612; 90; 117.831; 90;  

COD ID: 7153643
CIF file Formula: - C16 H14 N6 O -
Comments: Lebraud, Honorine; Coxon, Christopher R.; Archard, Victoria S.; Bawn, Carlo M.; Carbain, Benoit; Matheson, Christopher J.; Turner, David M.; Cano, Celine; Griffin, Roger J.; Hardcastle, Ian R.; Baisch, Ulrich; Harrington, Ross W.; Golding, Bernard T. Model system for irreversible inhibition of Nek2: thiol addition to ethynylpurines and related substituted heterocycles. Organic & biomolecular chemistry 12(1) (2014) 141-148
Space group: P 1 21/c 1
Cell volume: 1428.4
Cell parameters: 20.838; 4.7845; 14.873; 90; 105.57; 90;  

COD ID: 7153644
CIF file Formula: - C43 H32 Br2 Cl2 O4 -
Comments: Fan, Xing-Wen; Cheng, Ying N-Heterocyclic carbene-catalyzed cascade reaction of 2-aroylvinylcinnamaldehydes with 2-aroylvinylchalcones: rapid assembly of six contiguous stereogenic centers with high diastereoselectivity. Organic & biomolecular chemistry 12(1) (2014) 123-131
Space group: P n a 21
Cell volume: 3608.2
Cell parameters: 11.5778; 19.919; 15.6456; 90; 90; 90;  

COD ID: 7153645
CIF file Formula: - C42 H30 Br2 O4 -
Comments: Fan, Xing-Wen; Cheng, Ying N-Heterocyclic carbene-catalyzed cascade reaction of 2-aroylvinylcinnamaldehydes with 2-aroylvinylchalcones: rapid assembly of six contiguous stereogenic centers with high diastereoselectivity. Organic & biomolecular chemistry 12(1) (2014) 123-131
Space group: P 1 21/c 1
Cell volume: 3299.9
Cell parameters: 14.088; 25.453; 9.816; 90; 110.36; 90;  

COD ID: 7153646
CIF file Formula: - C16 H16 I N O2 S -
Comments: Li, Yuewen; Ding, Qiuping; Qiu, Guanyinsheng; Wu, Jie Synthesis of benzosultams via an intramolecular sp2 C-H bond amination reaction of o-arylbenzenesulfonamides under metal-free conditions. Organic & biomolecular chemistry 12(1) (2014) 149-155
Space group: P 1 21/n 1
Cell volume: 1616.5
Cell parameters: 12.46; 7.632; 17.002; 90; 91.153; 90;  

COD ID: 7153647
CIF file Formula: - C16 H17 N O2 S -
Comments: Li, Yuewen; Ding, Qiuping; Qiu, Guanyinsheng; Wu, Jie Synthesis of benzosultams via an intramolecular sp2 C-H bond amination reaction of o-arylbenzenesulfonamides under metal-free conditions. Organic & biomolecular chemistry 12(1) (2014) 149-155
Space group: P 1 21/c 1
Cell volume: 1475.3
Cell parameters: 9.396; 17.34; 9.934; 90; 114.283; 90;  

COD ID: 7153648
CIF file Formula: - C17 H15 Br O2 -
Comments: Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro Asymmetric chroman synthesis via an intramolecular oxy-Michael addition by bifunctional organocatalysts. Organic & biomolecular chemistry 12(1) (2014) 119-122
Space group: P 1 21 1
Cell volume: 718.7
Cell parameters: 9.3648; 6.0541; 12.676; 90; 90.287; 90;  

COD ID: 7153649
CIF file Formula: - C39 H31 N2 O7 P S -
Comments: Lin, Yu-Wei; Deng, Jie-Cheng; Hsieh, You-Zung; Chuang, Shih-Ching One-pot formation of fluorescent γ-lactams having an α-phosphorus ylide moiety through three-component α(δ')-Michael reactions of phosphines with an enyne and N-tosyl aldimines. Organic & biomolecular chemistry 12(1) (2014) 162-170
Space group: P 1 21/n 1
Cell volume: 3369.8
Cell parameters: 10.7329; 16.5196; 19.3778; 90; 101.241; 90;  

COD ID: 7153650
CIF file Formula: - C40 H28 Cl7 N2 O7 P S -
Comments: Lin, Yu-Wei; Deng, Jie-Cheng; Hsieh, You-Zung; Chuang, Shih-Ching One-pot formation of fluorescent γ-lactams having an α-phosphorus ylide moiety through three-component α(δ')-Michael reactions of phosphines with an enyne and N-tosyl aldimines. Organic & biomolecular chemistry 12(1) (2014) 162-170
Space group: P -1
Cell volume: 2070.6
Cell parameters: 10.2628; 14.104; 15.146; 85.999; 73.595; 79.998;  

COD ID: 7153651
CIF file Formula: - C14 H18 O -
Comments: Olbrich, Martin; Mayer, Peter; Trauner, Dirk A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane. Organic & biomolecular chemistry 12(1) (2014) 108-112
Space group: P -1
Cell volume: 515.65
Cell parameters: 6.2093; 8.3668; 11.145; 74.54; 89.252; 68.175;  

COD ID: 7153652
CIF file Formula: - C14 H14 Cl4 O -
Comments: Olbrich, Martin; Mayer, Peter; Trauner, Dirk A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane. Organic & biomolecular chemistry 12(1) (2014) 108-112
Space group: P 21 21 21
Cell volume: 1398.36
Cell parameters: 8.8558; 12.1899; 12.9536; 90; 90; 90;  

COD ID: 7153653
CIF file Formula: - C14 H14 Cl4 O -
Comments: Olbrich, Martin; Mayer, Peter; Trauner, Dirk A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane. Organic & biomolecular chemistry 12(1) (2014) 108-112
Space group: P -1
Cell volume: 673.72
Cell parameters: 6.5349; 8.802; 11.7531; 89.29; 85.351; 89.283;  

COD ID: 7153654
CIF file Formula: - C14 H14 Br2 Cl4 -
Comments: Olbrich, Martin; Mayer, Peter; Trauner, Dirk A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane. Organic & biomolecular chemistry 12(1) (2014) 108-112
Space group: P 1 21/c 1
Cell volume: 1601.7
Cell parameters: 14.7642; 7.4391; 14.5856; 90; 91.061; 90;  

COD ID: 7153655
CIF file Formula: - C14 H14 Br2 Cl4 -
Comments: Olbrich, Martin; Mayer, Peter; Trauner, Dirk A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane. Organic & biomolecular chemistry 12(1) (2014) 108-112
Space group: P 1 21/c 1
Cell volume: 1516.18
Cell parameters: 8.5158; 12.1809; 14.7928; 90; 98.852; 90;  

COD ID: 7153656
CIF file Formula: - C14 H18 Br2 -
Comments: Olbrich, Martin; Mayer, Peter; Trauner, Dirk A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane. Organic & biomolecular chemistry 12(1) (2014) 108-112
Space group: P 1 21/c 1
Cell volume: 1227.37
Cell parameters: 13.033; 7.7467; 12.4282; 90; 101.998; 90;  

COD ID: 7153657
CIF file Formula: - C14 H18 Br2 -
Comments: Olbrich, Martin; Mayer, Peter; Trauner, Dirk A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane. Organic & biomolecular chemistry 12(1) (2014) 108-112
Space group: P 1 21/c 1
Cell volume: 1185.26
Cell parameters: 14.3718; 6.4978; 12.7356; 90; 94.731; 90;  

COD ID: 7153658
CIF file Formula: - C41 H34 Co2 F2 N6 O12 -
Comments: Olbrich, Martin; Mayer, Peter; Trauner, Dirk A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane. Organic & biomolecular chemistry 12(1) (2014) 108-112
Space group: P -1
Cell volume: 2021.96
Cell parameters: 10.2431; 14.0654; 14.0892; 93.793; 90.314; 93.311;  

COD ID: 7153659
CIF file Formula: - C14 H14 Cl4 -
Comments: Olbrich, Martin; Mayer, Peter; Trauner, Dirk A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane. Organic & biomolecular chemistry 12(1) (2014) 108-112
Space group: P -1
Cell volume: 686.07
Cell parameters: 7.0652; 8.2217; 13.0265; 92.9; 90.127; 114.75;  

COD ID: 7153660
CIF file Formula: - C20 H20 Cl4 -
Comments: Olbrich, Martin; Mayer, Peter; Trauner, Dirk A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane. Organic & biomolecular chemistry 12(1) (2014) 108-112
Space group: P -1
Cell volume: 873.4
Cell parameters: 7.0286; 8.7167; 15.6853; 83.186; 87.4669; 66.254;  

COD ID: 7153661
CIF file Formula: - C8 H9 Br N2 O4 -
Comments: Jiang, Jianbing; Vairaprakash, Pothiappan; Reddy, Kanumuri Ramesh; Sahin, Tuba; Pavan, M. Phani; Lubian, Elisa; Lindsey, Jonathan S. Hydrophilic tetracarboxy bacteriochlorins for photonics applications. Organic & biomolecular chemistry 12(1) (2014) 86-103
Space group: P -1
Cell volume: 502.48
Cell parameters: 7.3702; 7.6424; 9.3429; 95.852; 105.352; 93.753;  

COD ID: 7153662
CIF file Formula: - C13 H13 Br N2 O4 S -
Comments: Jiang, Jianbing; Vairaprakash, Pothiappan; Reddy, Kanumuri Ramesh; Sahin, Tuba; Pavan, M. Phani; Lubian, Elisa; Lindsey, Jonathan S. Hydrophilic tetracarboxy bacteriochlorins for photonics applications. Organic & biomolecular chemistry 12(1) (2014) 86-103
Space group: P 21 21 21
Cell volume: 1425.8
Cell parameters: 9.5461; 9.6709; 15.4442; 90; 90; 90;  

COD ID: 7153663
CIF file Formula: - C22 H26 F6 Fe N4 O6 S2 -
Comments: Yazerski, Vital A.; Spannring, Peter; Gatineau, David; Woerde, Charlotte H. M.; Wieclawska, Sara M.; Lutz, Martin; Kleijn, Henk; Klein Gebbink, Robertus J. M. Making Fe(BPBP)-catalyzed C-H and C[double bond, length as m-dash]C oxidations more affordable. Organic & biomolecular chemistry 12(13) (2014) 2062-2070
Space group: P -1
Cell volume: 1324.84
Cell parameters: 9.5255; 10.2017; 15.6299; 96.696; 95.281; 117.086;  

COD ID: 7153664
CIF file Formula: - C44 H118 N12 O43 S6 -
Comments: Rhaman, Md Mhahabubur; Ahmed, Lucky; Wang, Jing; Powell, Douglas R.; Leszczynski, Jerzy; Hossain, Md Alamgir Encapsulation and selectivity of sulfate with a furan-based hexaazamacrocyclic receptor in water. Organic & biomolecular chemistry 12(13) (2014) 2045-2048
Space group: P -1
Cell volume: 3858.8
Cell parameters: 13.0481; 13.2273; 23.4746; 102.934; 93.491; 100.629;  

COD ID: 7153665
CIF file Formula: - C6 H7 Cl2 I O3 S -
Comments: Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J. Reactions of enantiopure cyclic diols with sulfuryl chloride. Organic & biomolecular chemistry 12(13) (2014) 2128-2136
Space group: P 21 21 21
Cell volume: 1100
Cell parameters: 5.9357; 8.96; 20.683; 90; 90; 90;  

COD ID: 7153666
CIF file Formula: - C10 H10 Cl2 -
Comments: Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J. Reactions of enantiopure cyclic diols with sulfuryl chloride. Organic & biomolecular chemistry 12(13) (2014) 2128-2136
Space group: P 1 21 1
Cell volume: 454.7
Cell parameters: 7.4192; 7.6708; 8.1477; 90; 101.304; 90;  

COD ID: 7153667
CIF file Formula: - C6 H7 Cl O4 S -
Comments: Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J. Reactions of enantiopure cyclic diols with sulfuryl chloride. Organic & biomolecular chemistry 12(13) (2014) 2128-2136
Space group: P 21 21 21
Cell volume: 806.73
Cell parameters: 6.6774; 10.9657; 11.0176; 90; 90; 90;  

COD ID: 7153668
CIF file Formula: - C15 H15 N3 -
Comments: Zhang, Xinying; Song, Yunping; Gao, Lin; Guo, Xiaojie; Fan, Xuesen Highly facile and regio-selective synthesis of pyrazolo[1,5-a]pyrimidines via reactions of 1,2-allenic ketones with aminopyrazoles. Organic & biomolecular chemistry 12(13) (2014) 2099-2107
Space group: P 1 21/c 1
Cell volume: 2584
Cell parameters: 25.257; 7.226; 14.807; 90; 106.999; 90;  

COD ID: 7153669
CIF file Formula: - C15 H15 N3 -
Comments: Zhang, Xinying; Song, Yunping; Gao, Lin; Guo, Xiaojie; Fan, Xuesen Highly facile and regio-selective synthesis of pyrazolo[1,5-a]pyrimidines via reactions of 1,2-allenic ketones with aminopyrazoles. Organic & biomolecular chemistry 12(13) (2014) 2099-2107
Space group: P 1 21/n 1
Cell volume: 1252.6
Cell parameters: 5.784; 16.411; 13.211; 90; 92.703; 90;  

COD ID: 7153670
CIF file Formula: - C13 H14 Br2 O -
Comments: Yang, Dingqiao; Liang, Ni Platinum-catalyzed anti-stereocontrolled ring-opening of oxabicyclic alkenes with Grignard reagents. Organic & biomolecular chemistry 12(13) (2014) 2080-2086
Space group: P -1
Cell volume: 2675
Cell parameters: 12.698; 15.704; 15.785; 108.667; 96.252; 111.779;  

COD ID: 7153671
CIF file Formula: - C16 H17 F3 N4 O S2 -
Comments: Mei, Haibo; Xiong, Yiwen; Xie, Chen; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi Concise and scalable asymmetric synthesis of 5-(1-amino-2,2,2-trifluoroethyl)thiazolo[3,2-b][1,2,4]triazoles. Organic & biomolecular chemistry 12(13) (2014) 2108-2113
Space group: P 21 21 21
Cell volume: 1890
Cell parameters: 10.499; 11.042; 16.3; 90; 90; 90;  

COD ID: 7153672
CIF file Formula: - C22 H20 N2 -
Comments: Wang, Xu; Pan, Ying-Ming; Huang, Xiao-Chao; Mao, Zhong-Yuan; Wang, Heng-Shan A novel methodology for synthesis of dihydropyrazole derivatives as potential anticancer agents. Organic & biomolecular chemistry 12(13) (2014) 2028-2032
Space group: P 1 21/c 1
Cell volume: 1710.92
Cell parameters: 5.8798; 10.8995; 26.8261; 90; 95.626; 90;  

COD ID: 7153673
CIF file Formula: - C20 H24 N4 O6 Si -
Comments: Roy, Arundhati; Datar, Avdhoot; Kand, Dnyaneshwar; Saha, Tanmoy; Talukdar, Pinaki A fluorescent off-on NBD-probe for F(-) sensing: theoretical validation and experimental studies. Organic & biomolecular chemistry 12(13) (2014) 2143-2149
Space group: P -1
Cell volume: 2233.9
Cell parameters: 6.2718; 18.621; 19.391; 82.717; 84.77; 86.359;  

COD ID: 7153674
CIF file Formula: - C50 H94.28 Cl4 N20 O25.14 -
Comments: Zhang, Ben; Zavalij, Peter Y.; Isaacs, Lyle Acyclic CB[n]-type molecular containers: effect of solubilizing group on their function as solubilizing excipients. Organic & biomolecular chemistry 12(15) (2014) 2413-2422
Space group: P 1 21 1
Cell volume: 7035.9
Cell parameters: 13.7177; 27.048; 18.9817; 90; 92.5526; 90;  

COD ID: 7153675
CIF file Formula: - C100 H155 N32 O49.5 -
Comments: Zhang, Ben; Zavalij, Peter Y.; Isaacs, Lyle Acyclic CB[n]-type molecular containers: effect of solubilizing group on their function as solubilizing excipients. Organic & biomolecular chemistry 12(15) (2014) 2413-2422
Space group: P 1 21/n 1
Cell volume: 11930
Cell parameters: 29.339; 13.8631; 29.715; 90; 99.2288; 90;  

COD ID: 7153676
CIF file Formula: - C18 H9 F6 N3 -
Comments: Huang, Shengdian; Qing, Jie; Wang, Shuo; Wang, Huan; Zhang, Linqi; Tang, Yefeng Design and synthesis of imidazo[1,2-α][1,8]naphthyridine derivatives as anti-HCV agents via direct C-H arylation. Organic & biomolecular chemistry 12(15) (2014) 2344-2348
Space group: P 1 21/c 1
Cell volume: 1573.9
Cell parameters: 14.868; 9.506; 11.977; 90; 111.598; 90;  

COD ID: 7153677
CIF file Formula: - C29 H33 N3 O -
Comments: Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Antonov, Alexander S.; Filarowski, Alexander Out-Basicity of 1,8-bis(dimethylamino)naphthalene: the experimental and theoretical challenge. Organic & biomolecular chemistry 12(15) (2014) 2360-2369
Space group: P b c a
Cell volume: 4896.7
Cell parameters: 13.8234; 14.4667; 24.486; 90; 90; 90;  

COD ID: 7153678
CIF file Formula: - C29 H34 Cl N3 O5 -
Comments: Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Antonov, Alexander S.; Filarowski, Alexander Out-Basicity of 1,8-bis(dimethylamino)naphthalene: the experimental and theoretical challenge. Organic & biomolecular chemistry 12(15) (2014) 2360-2369
Space group: P 1 21/c 1
Cell volume: 2617.6
Cell parameters: 21.585; 7.8022; 15.6198; 90; 95.68; 90;  

COD ID: 7153679
CIF file Formula: - C16 H19 B F4 N2 -
Comments: Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Antonov, Alexander S.; Filarowski, Alexander Out-Basicity of 1,8-bis(dimethylamino)naphthalene: the experimental and theoretical challenge. Organic & biomolecular chemistry 12(15) (2014) 2360-2369
Space group: P 1 21/c 1
Cell volume: 1493
Cell parameters: 12.8809; 8.8823; 13.1761; 90; 97.955; 90;  

COD ID: 7153680
CIF file Formula: - C17 H16 Cl N O4 -
Comments: Xin, Xiaoqing; Zhang, Qian; Liang, Yongjiu; Zhang, Rui; Dong, Dewen Tandem halogenation/Michael-initiated ring-closing reaction of α,β-unsaturated nitriles and activated methylene compounds: one-pot diastereoselective synthesis of functionalized cyclopropanes. Organic & biomolecular chemistry 12(15) (2014) 2427-2435
Space group: P -1
Cell volume: 852.5
Cell parameters: 7.7069; 10.4968; 11.1874; 93.206; 102.273; 104.014;  

COD ID: 7153681
CIF file Formula: - C24 H15 N3 O2 -
Comments: Hung, Tran Quang; Thang, Ngo Ngoc; Hoang, Do Huy; Dang, Tuan Thanh; Villinger, Alexander; Langer, Peter Efficient synthesis of biscarbazoles by palladium-catalyzed twofold C-N coupling and C-H activation reactions. Organic & biomolecular chemistry 12(16) (2014) 2596-2605
Space group: P 1 21/c 1
Cell volume: 1797.3
Cell parameters: 12.7311; 15.7373; 9.2462; 90; 104.025; 90;  

COD ID: 7153682
CIF file Formula: - C25 H18 N2 O -
Comments: Hung, Tran Quang; Thang, Ngo Ngoc; Hoang, Do Huy; Dang, Tuan Thanh; Villinger, Alexander; Langer, Peter Efficient synthesis of biscarbazoles by palladium-catalyzed twofold C-N coupling and C-H activation reactions. Organic & biomolecular chemistry 12(16) (2014) 2596-2605
Space group: P 1 21/c 1
Cell volume: 1800.35
Cell parameters: 12.6024; 7.6803; 19.048; 90; 102.443; 90;  

COD ID: 7153683
CIF file Formula: - C27 H23 F N2 -
Comments: Li, Jian; Wang, Hongni; Sun, Jiangtao; Yang, Yang; Liu, Li Mild gold-catalyzed three-component dehydrogenative coupling of terminal alkynes to amines and indole-2-carboxaldehyde. Organic & biomolecular chemistry 12(16) (2014) 2523-2527
Space group: P 1 21/c 1
Cell volume: 2173.2
Cell parameters: 10.764; 12.052; 17.532; 90; 107.151; 90;  

COD ID: 7153684
CIF file Formula: - C23 H31 N O3 Si -
Comments: Dulla, Balakrishna; Tangellamudi, Neelima D.; Balasubramanian, Sridhar; Yellanki, Swapna; Medishetti, Raghavender; Kumar Banote, Rakesh; Hari Chaudhari, Girish; Kulkarni, Pushkar; Iqbal, Javed; Reiser, Oliver; Pal, Manojit Isovanillin derived N-(un)substituted hydroxylamines possessing an ortho-allylic group: valuable precursors to bioactive N-heterocycles. Organic & biomolecular chemistry 12(16) (2014) 2552-2558
Space group: P 1 21/c 1
Cell volume: 2128
Cell parameters: 12.368; 13.474; 13.097; 90; 102.866; 90;  

COD ID: 7153685
CIF file Formula: - C17 H12 F N O2 -
Comments: Ding, Dong; Liu, Gang; Xu, Guangyang; Li, Jian; Wang, Guoping; Sun, Jiangtao Palladium catalyzed N-H bond insertion and intramolecular cyclization cascade: the divergent synthesis of heterocyclics. Organic & biomolecular chemistry 12(16) (2014) 2533-2537
Space group: P 1 21/c 1
Cell volume: 1359.5
Cell parameters: 11.395; 7.21; 17.653; 90; 110.39; 90;  

COD ID: 7153686
CIF file Formula: - C17 H18 N2 O -
Comments: Wu, Xiao-Feng; Oschatz, Stefan; Block, Axel; Spannenberg, Anke; Langer, Peter Base mediated synthesis of 2-aryl-2,3-dihydroquinazolin-4(1H)-ones from 2-aminobenzonitriles and aromatic aldehydes in water. Organic & biomolecular chemistry 12(12) (2014) 1865-1870
Space group: P 1 21/c 1
Cell volume: 1394.56
Cell parameters: 13.7868; 9.5016; 10.9971; 90; 104.522; 90;  

COD ID: 7153687
CIF file Formula: - C15 H13 Cl2 N3 O3 S -
Comments: Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A. Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists. Organic & biomolecular chemistry 12(11) (2014) 1779-1792
Space group: P -1
Cell volume: 1640.1
Cell parameters: 7.9294; 12.763; 16.761; 96.664; 99.981; 97.378;  

COD ID: 7153688
CIF file Formula: - C18 H14 Cl3 N3 O4 S -
Comments: Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A. Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists. Organic & biomolecular chemistry 12(11) (2014) 1779-1792
Space group: P 1 21/n 1
Cell volume: 3977.5
Cell parameters: 9.0361; 20.725; 21.381; 90; 96.612; 90;  

COD ID: 7153689
CIF file Formula: - C15 H11 Cl2 N3 O2 S -
Comments: Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A. Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists. Organic & biomolecular chemistry 12(11) (2014) 1779-1792
Space group: P 1 21/n 1
Cell volume: 1529.4
Cell parameters: 7.5758; 8.7573; 23.065; 90; 91.905; 90;  

COD ID: 7153690
CIF file Formula: - C13 H9 Cl2 N5 O2 S -
Comments: Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A. Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists. Organic & biomolecular chemistry 12(11) (2014) 1779-1792
Space group: P -1
Cell volume: 741.5
Cell parameters: 7.439; 8.477; 13.0579; 88.763; 84.177; 64.88;  

COD ID: 7153691
CIF file Formula: - C15 H26 O3 S -
Comments: Carroccia, Laura; Degennaro, Leonardo; Romanazzi, Giuseppe; Cuocci, Corrado; Pisano, Luisa; Luisi, Renzo Straightforward access to 4-membered sulfurated heterocycles: introducing a strategy for the single and double functionalization of thietane 1-oxide. Organic & biomolecular chemistry 12(14) (2014) 2180-2184
Space group: P 1
Cell volume: 385.068
Cell parameters: 5.29; 6.432; 12.429; 86.64; 88.36; 65.8;  

COD ID: 7153692
CIF file Formula: - C16 H16 O2 S -
Comments: Carroccia, Laura; Degennaro, Leonardo; Romanazzi, Giuseppe; Cuocci, Corrado; Pisano, Luisa; Luisi, Renzo Straightforward access to 4-membered sulfurated heterocycles: introducing a strategy for the single and double functionalization of thietane 1-oxide. Organic & biomolecular chemistry 12(14) (2014) 2180-2184
Space group: P 1 21/a 1
Cell volume: 1377.05
Cell parameters: 11.471; 7.889; 15.246; 90; 93.54; 90;  

COD ID: 7153693
CIF file Formula: - C21 H14 Br N O -
Comments: Yadav, Pratik; Singh, Surjeet; Sahu, Satya Narayan; Hussain, Firasat; Pratap, Ramendra Microwave assisted base dependent regioselective synthesis of partially reduced chromenes, isochromenes and phenanthrenes. Organic & biomolecular chemistry 12(14) (2014) 2228-2234
Space group: P -1
Cell volume: 798.57
Cell parameters: 7.3715; 9.3781; 12.8371; 96.36; 99.202; 111.905;  

COD ID: 7153694
CIF file Formula: - C19 H16 N2 S -
Comments: Liu, Ge; Kong, Lichun; Shen, Ji; Zhu, Gangguo A regio- and stereoselective entry to (Z)-β-halo alkenyl sulfides and their applications to access stereodefined trisubstituted alkenes. Organic & biomolecular chemistry 12(14) (2014) 2310-2321
Space group: P 1 21 1
Cell volume: 3180.2
Cell parameters: 11.0704; 22.732; 13.049; 90; 104.428; 90;  

COD ID: 7153695
CIF file Formula: - C18 H20 Cl3 N O3 -
Comments: Jia, Wen-Qiang; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song Organocatalytic [4 + 2] cyclocondensation of α,β-unsaturated acyl chlorides with imines: highly enantioselective synthesis of dihydropyridinone and piperidine derivatives. Organic & biomolecular chemistry 12(14) (2014) 2167-2171
Space group: P 21 21 21
Cell volume: 1898.7
Cell parameters: 6.4986; 7.2522; 40.288; 90; 90; 90;  

COD ID: 7153696
CIF file Formula: - C22 H23 N O6 S -
Comments: Jia, Wen-Qiang; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song Organocatalytic [4 + 2] cyclocondensation of α,β-unsaturated acyl chlorides with imines: highly enantioselective synthesis of dihydropyridinone and piperidine derivatives. Organic & biomolecular chemistry 12(14) (2014) 2167-2171
Space group: P 21 21 21
Cell volume: 2107.2
Cell parameters: 5.8326; 8.921; 40.497; 90; 90; 90;  

COD ID: 7153697
CIF file Formula: - C12 H12 Cl3 N O -
Comments: Jia, Wen-Qiang; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song Organocatalytic [4 + 2] cyclocondensation of α,β-unsaturated acyl chlorides with imines: highly enantioselective synthesis of dihydropyridinone and piperidine derivatives. Organic & biomolecular chemistry 12(14) (2014) 2167-2171
Space group: P 21 21 21
Cell volume: 2671.8
Cell parameters: 9.4908; 11.747; 23.965; 90; 90; 90;  

COD ID: 7153698
CIF file Formula: - C15 H20 O4 -
Comments: Górecki, Marcin; Suszczyńska, Agata; Woźnica, Magdalena; Baj, Aneta; Wolniak, Michał; Cyrański, Michał K; Witkowski, Stanisław; Frelek, Jadwiga Chromane helicity rule - scope and challenges based on an ECD study of various trolox derivatives. Organic & biomolecular chemistry 12(14) (2014) 2235-2254
Space group: P 1 21 1
Cell volume: 1333.87
Cell parameters: 7.1858; 21.2747; 8.7923; 90; 97.085; 90;  

COD ID: 7153699
CIF file Formula: - C79 H93.5 F12 N4.5 O16 P2 -
Comments: Gu, Ya-Kun; Zeng, Fei; Meng, Zheng; Chen, Chuan-Feng Triptycene-derived macrotricyclic polyether containing an anthracene unit as a powerful host for 1,2-bis(pyridium)ethane, diquat and 2,7-diazapyrenium salt. Organic & biomolecular chemistry 12(18) (2014) 2850-2853
Space group: P -1
Cell volume: 9240
Cell parameters: 17.928; 21.795; 26.597; 68.93; 79.43; 73.05;  

COD ID: 7153700
CIF file Formula: - C74 H83 F12 N2 O16 P2 -
Comments: Gu, Ya-Kun; Zeng, Fei; Meng, Zheng; Chen, Chuan-Feng Triptycene-derived macrotricyclic polyether containing an anthracene unit as a powerful host for 1,2-bis(pyridium)ethane, diquat and 2,7-diazapyrenium salt. Organic & biomolecular chemistry 12(18) (2014) 2850-2853
Space group: C 1 2/c 1
Cell volume: 34407
Cell parameters: 33.928; 26.606; 41.298; 90; 112.64; 90;  

COD ID: 7153701
CIF file Formula: - C86 H102 F12 N4 O17 P2 -
Comments: Gu, Ya-Kun; Zeng, Fei; Meng, Zheng; Chen, Chuan-Feng Triptycene-derived macrotricyclic polyether containing an anthracene unit as a powerful host for 1,2-bis(pyridium)ethane, diquat and 2,7-diazapyrenium salt. Organic & biomolecular chemistry 12(18) (2014) 2850-2853
Space group: P -1
Cell volume: 4192.9
Cell parameters: 12.547; 16.146; 21.955; 109.304; 91.346; 91.789;  

COD ID: 7153702
CIF file Formula: - C9 H11 Cl O3 -
Comments: Yin, Zhiwei; Zhang, Jinzhu; Wu, Jing; Green, Riana; Li, Sihan; Zheng, Shengping Synthesis of o-chlorophenols via an unexpected nucleophilic chlorination of quinone monoketals mediated by N,N'-dimethylhydrazine dihydrochloride. Organic & biomolecular chemistry 12(18) (2014) 2854-2858
Space group: P 1 21/n 1
Cell volume: 923.56
Cell parameters: 5.2268; 8.9268; 19.809; 90; 92.227; 90;  

COD ID: 7153703
CIF file Formula: - C8 H9 Cl O3 -
Comments: Yin, Zhiwei; Zhang, Jinzhu; Wu, Jing; Green, Riana; Li, Sihan; Zheng, Shengping Synthesis of o-chlorophenols via an unexpected nucleophilic chlorination of quinone monoketals mediated by N,N'-dimethylhydrazine dihydrochloride. Organic & biomolecular chemistry 12(18) (2014) 2854-2858
Space group: P 1 21/c 1
Cell volume: 1651.3
Cell parameters: 20.214; 10.0193; 8.196; 90; 95.8337; 90;  

COD ID: 7153704
CIF file Formula: - C28 H24 O3 -
Comments: Zhu, Shifa; Hu, Lang; Jiang, Huanfeng Gold-catalyzed tandem Diels-Alder reactions of enynals/enynones with alkenes: generation and trapping of cyclic o-QDMs. Organic & biomolecular chemistry 12(24) (2014) 4104-4111
Space group: P 1 21/c 1
Cell volume: 2062.95
Cell parameters: 10.1157; 21.1608; 10.7272; 90; 116.05; 90;  

COD ID: 7153705
CIF file Formula: - C28 H22 O3 -
Comments: Zhu, Shifa; Hu, Lang; Jiang, Huanfeng Gold-catalyzed tandem Diels-Alder reactions of enynals/enynones with alkenes: generation and trapping of cyclic o-QDMs. Organic & biomolecular chemistry 12(24) (2014) 4104-4111
Space group: P 1 21/n 1
Cell volume: 1983.8
Cell parameters: 12.1109; 12.2037; 13.4259; 90; 91.302; 90;  

COD ID: 7153706
CIF file Formula: - C23 H30 I N3 O4 -
Comments: Chand, S Sarath; Saranya, S; Preethanuj, P; Dhanya, B P; Jijy, E; Prakash, Praveen; Sasidhar, B S; Szymoniak, Jan; Santhini, P V; Radhakrishnan, K V Trapping the Lewis acid generated transient species from pentafulvene derived diazanorbornenes with ortho-functionalized aryl iodides and aliphatic alcohols. Organic & biomolecular chemistry 12(19) (2014) 3045-3061
Space group: P -1
Cell volume: 1223.99
Cell parameters: 10.7084; 11.0671; 12.0232; 78.662; 84.243; 61.179;  

COD ID: 7153707
CIF file Formula: - C18 H18 Br3 N O3 S -
Comments: Gopi, Elumalai; Namboothiri, Irishi N. N. Synthesis of α-tribromomethylamines via Mg-mediated addition of bromoform to imines. Organic & biomolecular chemistry 12(17) (2014) 2769-2777
Space group: P 1 21/n 1
Cell volume: 2015.3
Cell parameters: 10.212; 11.258; 17.747; 90; 98.985; 90;  

COD ID: 7153708
CIF file Formula: - C74.05 H69.11 N11 O25.68 -
Comments: Brugnara, Andrea; Fusaro, Luca; Luhmer, Michel; Prangé, Thierry; Colasson, Benoit; Reinaud, Olivia An induced-fit process through mechanical pivoting of aromatic walls in host-guest chemistry of calix[6]arene aza-cryptands. Organic & biomolecular chemistry 12(17) (2014) 2754-2760
Space group: P 1 21/c 1
Cell volume: 8161.6
Cell parameters: 15.502; 13.181; 40.203; 90; 96.52; 90;  

COD ID: 7153709
CIF file Formula: - C18 H28 F3 N3 O6 -
Comments: Lee, Woohyung; Kwon, Sunmi; Kang, Philjae; Guzei, Ilia A.; Choi, Soo Hyuk Helical folding of α/β-peptides containing β-amino acids with an eight-membered ring constraint. Organic & biomolecular chemistry 12(17) (2014) 2641-2644
Space group: C 1 2 1
Cell volume: 2148.7
Cell parameters: 17.5956; 7.1768; 18.6281; 90; 114.02; 90;  

COD ID: 7153710
CIF file Formula: - C36 H54 Cl3 N5 O8 -
Comments: Lee, Woohyung; Kwon, Sunmi; Kang, Philjae; Guzei, Ilia A.; Choi, Soo Hyuk Helical folding of α/β-peptides containing β-amino acids with an eight-membered ring constraint. Organic & biomolecular chemistry 12(17) (2014) 2641-2644
Space group: P 1 21/c 1
Cell volume: 8171.8
Cell parameters: 27.66; 10.3977; 31.516; 90; 115.635; 90;  

COD ID: 7153711
CIF file Formula: - C22 H36 Cl3 N3 O6 -
Comments: Lee, Woohyung; Kwon, Sunmi; Kang, Philjae; Guzei, Ilia A.; Choi, Soo Hyuk Helical folding of α/β-peptides containing β-amino acids with an eight-membered ring constraint. Organic & biomolecular chemistry 12(17) (2014) 2641-2644
Space group: P 1 21/c 1
Cell volume: 2856.9
Cell parameters: 9.5371; 14.1962; 21.2896; 90; 97.626; 90;  

COD ID: 7153712
CIF file Formula: - C38 H28 N4 O4 -
Comments: Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene. Organic & biomolecular chemistry 12(17) (2014) 2784-2791
Space group: P b c n
Cell volume: 6288.21
Cell parameters: 23.3123; 14.7753; 18.256; 90; 90; 90;  

COD ID: 7153713
CIF file Formula: - C38 H28 N4 O2 -
Comments: Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene. Organic & biomolecular chemistry 12(17) (2014) 2784-2791
Space group: P -1
Cell volume: 1508.68
Cell parameters: 11.1289; 12.3596; 12.6371; 102.539; 96.811; 113.934;  

COD ID: 7153714
CIF file Formula: - C38 H26 Cl2 N4 O3 -
Comments: Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene. Organic & biomolecular chemistry 12(17) (2014) 2784-2791
Space group: P -1
Cell volume: 3343.59
Cell parameters: 13.0039; 14.398; 18.6793; 99.561; 91.793; 103.561;  

COD ID: 7153715
CIF file Formula: - C60 H44 Cl4 O4 -
Comments: Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene. Organic & biomolecular chemistry 12(17) (2014) 2784-2791
Space group: P 1 21/n 1
Cell volume: 2349.61
Cell parameters: 15.9572; 8.7817; 16.7713; 90; 91.2657; 90;  

COD ID: 7153716
CIF file Formula: - C36 H21 Cl2 N3 O3 -
Comments: Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene. Organic & biomolecular chemistry 12(17) (2014) 2784-2791
Space group: C 1 2/c 1
Cell volume: 7215.9
Cell parameters: 28.4477; 10.8997; 23.5205; 90; 98.339; 90;  

COD ID: 7153717
CIF file Formula: - C32 H28 O2 -
Comments: Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene. Organic & biomolecular chemistry 12(17) (2014) 2784-2791
Space group: P b c a
Cell volume: 5434.83
Cell parameters: 7.5275; 27.5908; 26.168; 90; 90; 90;  

COD ID: 7153718
CIF file Formula: - C38 H28 N4 O4 -
Comments: Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene. Organic & biomolecular chemistry 12(17) (2014) 2784-2791
Space group: P b c a
Cell volume: 6283.8
Cell parameters: 20.9635; 13.2472; 22.6274; 90; 90; 90;  

COD ID: 7153719
CIF file Formula: - C38 H27 N3 O3 -
Comments: Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene. Organic & biomolecular chemistry 12(17) (2014) 2784-2791
Space group: C 1 2/c 1
Cell volume: 7147.2
Cell parameters: 28.1011; 10.9295; 23.4906; 90; 97.8432; 90;  

COD ID: 7153720
CIF file Formula: - C38 H27 N3 O5 -
Comments: Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene. Organic & biomolecular chemistry 12(17) (2014) 2784-2791
Space group: P 1 21/c 1
Cell volume: 3196.64
Cell parameters: 10.0721; 13.6832; 23.3065; 90; 95.6174; 90;  

COD ID: 7153721
CIF file Formula: - C19 H17 N O2 -
Comments: Zhang, Jiajun; Li, Pinhua; Wang, Lei KOAc-promoted alkynylation of α-C-H bonds of ethers with alkynyl bromides under transition-metal-free conditions. Organic & biomolecular chemistry 12(18) (2014) 2969-2978
Space group: P 1 21/c 1
Cell volume: 1579.5
Cell parameters: 8.7226; 19.987; 9.9442; 90; 114.349; 90;  

COD ID: 7153722
CIF file Formula: - C24 H19 N O -
Comments: Goutham, Kommuru; Mangina, N. S. V. M. Rao; Suresh, Surisetti; Raghavaiah, Pallepogu; Karunakar, Galla V. Gold-catalysed cyclisation of N-propargylic β-enaminones to form 3-methylene-1-pyrroline derivatives. Organic & biomolecular chemistry 12(18) (2014) 2869-2873
Space group: P -1
Cell volume: 876.9
Cell parameters: 9.2718; 9.5841; 10.492; 73.388; 84.716; 79.196;  

COD ID: 7153723
CIF file Formula: - C48.5 H48.5 Cl1.5 N2 S -
Comments: Maeda, Chihiro; Masuda, Motoki; Yoshioka, Naoki Synthesis of carbazole-based hetero-core-modified porphyrins. Organic & biomolecular chemistry 12(17) (2014) 2656-2662
Space group: P -1
Cell volume: 4514.7
Cell parameters: 15.7704; 17.0399; 17.7847; 82.212; 72.642; 85.179;  

COD ID: 7153724
CIF file Formula: - C13 H19 B N4 O3 -
Comments: Zhang, Jiaxi; Pidlypnyi, Nazar; Nieger, Martin; Namyslo, Jan C.; Schmidt, Andreas Zwitterionic borane adducts of N-heterocyclic carbenes from mesomeric betaines of uracil. Organic & biomolecular chemistry 12(17) (2014) 2737-2744
Space group: P 1 21/n 1
Cell volume: 1439.01
Cell parameters: 8.6058; 7.5126; 22.4696; 90; 97.873; 90;  

COD ID: 7153725
CIF file Formula: - C18 H21 B N4 O2 -
Comments: Zhang, Jiaxi; Pidlypnyi, Nazar; Nieger, Martin; Namyslo, Jan C.; Schmidt, Andreas Zwitterionic borane adducts of N-heterocyclic carbenes from mesomeric betaines of uracil. Organic & biomolecular chemistry 12(17) (2014) 2737-2744
Space group: P n a 21
Cell volume: 3548.8
Cell parameters: 35.612; 8.829; 11.287; 90; 90; 90;  

COD ID: 7153726
CIF file Formula: - C27 H29 N O2 -
Comments: Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M. Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins. Organic & biomolecular chemistry 12(17) (2014) 2702-2728
Space group: P -1
Cell volume: 1102.4
Cell parameters: 10.0503; 10.952; 11.2054; 74.3842; 68.6115; 80.1552;  

COD ID: 7153727
CIF file Formula: - C16 H25 N O2 -
Comments: Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M. Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins. Organic & biomolecular chemistry 12(17) (2014) 2702-2728
Space group: P 21 21 21
Cell volume: 1592.05
Cell parameters: 8.66504; 9.9818; 18.4067; 90; 90; 90;  

COD ID: 7153728
CIF file Formula: - C27 H29 N O2 -
Comments: Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M. Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins. Organic & biomolecular chemistry 12(17) (2014) 2702-2728
Space group: P 31 2 1
Cell volume: 3498.99
Cell parameters: 11.23757; 11.23757; 31.9939; 90; 90; 120;  

COD ID: 7153729
CIF file Formula: - C28 H31 N O2 -
Comments: Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M. Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins. Organic & biomolecular chemistry 12(17) (2014) 2702-2728
Space group: P 1 21 1
Cell volume: 1187.04
Cell parameters: 9.7215; 13.5384; 10.1187; 90; 116.959; 90;  

COD ID: 7153730
CIF file Formula: - C29 H33 N O2 -
Comments: Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M. Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins. Organic & biomolecular chemistry 12(17) (2014) 2702-2728
Space group: P 1 21 1
Cell volume: 1231.85
Cell parameters: 10.27494; 10.27815; 12.21513; 90; 107.27; 90;  

COD ID: 7153731
CIF file Formula: - C18 H29 N O2 -
Comments: Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M. Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins. Organic & biomolecular chemistry 12(17) (2014) 2702-2728
Space group: P 1 21 1
Cell volume: 1836.17
Cell parameters: 12.4852; 9.9345; 15.0329; 90; 100.016; 90;  

COD ID: 7153732
CIF file Formula: - C34.5 H36 N O2.5 -
Comments: Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M. Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins. Organic & biomolecular chemistry 12(17) (2014) 2702-2728
Space group: P 21 21 21
Cell volume: 5687.45
Cell parameters: 12.315; 15.4817; 29.8308; 90; 90; 90;  

COD ID: 7153733
CIF file Formula: - C27 H36 B F4 N O2 -
Comments: Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M. Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins. Organic & biomolecular chemistry 12(17) (2014) 2702-2728
Space group: P 1 21 1
Cell volume: 1304.05
Cell parameters: 8.93933; 14.19427; 10.40085; 90; 98.842; 90;  

COD ID: 7153734
CIF file Formula: - C31 H35 N O2 -
Comments: Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M. Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins. Organic & biomolecular chemistry 12(17) (2014) 2702-2728
Space group: P 2 21 21
Cell volume: 2726.7
Cell parameters: 10.7026; 15.0868; 16.8872; 90; 90; 90;  

COD ID: 7153735
CIF file Formula: - C9 H18 Cl N O2 -
Comments: Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M. Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins. Organic & biomolecular chemistry 12(17) (2014) 2702-2728
Space group: P 1 21 1
Cell volume: 542.55
Cell parameters: 5.421; 8.9375; 11.4409; 90; 101.827; 90;  

COD ID: 7153736
CIF file Formula: - C108 H136 N12 -
Comments: Schweighauser, Luca; Häussinger, Daniel; Neuburger, Markus; Wegner, Hermann A. Symmetry as a new element to control molecular switches. Organic & biomolecular chemistry 12(21) (2014) 3371-3379
Space group: P 1 21/n 1
Cell volume: 4633.8
Cell parameters: 21.828; 9.4747; 22.495; 90; 95.114; 90;  

COD ID: 7153737
CIF file Formula: - C22 H17 N O -
Comments: Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines. Organic & biomolecular chemistry 12(19) (2014) 3114-3122
Space group: P n a 21
Cell volume: 1595.7
Cell parameters: 6.3212; 7.4318; 33.967; 90; 90; 90;  

COD ID: 7153738
CIF file Formula: - C25 H17 N -
Comments: Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines. Organic & biomolecular chemistry 12(19) (2014) 3114-3122
Space group: P b c a
Cell volume: 3454
Cell parameters: 14.2395; 7.5461; 32.144; 90; 90; 90;  

COD ID: 7153739
CIF file Formula: - C21 H14 F N -
Comments: Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines. Organic & biomolecular chemistry 12(19) (2014) 3114-3122
Space group: P 1 21/c 1
Cell volume: 743
Cell parameters: 15.95; 7.413; 6.299; 90; 94.011; 90;  

COD ID: 7153740
CIF file Formula: - C29 H23 N O2 -
Comments: Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines. Organic & biomolecular chemistry 12(19) (2014) 3114-3122
Space group: P 1 21/n 1
Cell volume: 2198.1
Cell parameters: 12.397; 13.109; 13.546; 90; 93.129; 90;  

COD ID: 7153741
CIF file Formula: - C31 H27 Cl Fe N4 Pd -
Comments: Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines. Organic & biomolecular chemistry 12(19) (2014) 3114-3122
Space group: P 1 21/n 1
Cell volume: 2690.5
Cell parameters: 13.9977; 10.9009; 18.025; 90; 101.979; 90;  

COD ID: 7153742
CIF file Formula: - C41 H47 Cl Fe N4 Pd -
Comments: Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines. Organic & biomolecular chemistry 12(19) (2014) 3114-3122
Space group: P c a 21
Cell volume: 7650
Cell parameters: 16.077; 12.6076; 37.742; 90; 90; 90;  

COD ID: 7153743
CIF file Formula: - C36 H34 N2 O4 S -
Comments: Kobayashi, Satoru; Kudo, Kenji; Ito, Ai; Hirama, Satoru; Otani, Takashi; Saito, Takao The diene-transmissive hetero-Diels-Alder reaction of 2-vinyl α,β-unsaturated aldimines: stereoselective synthesis of hexahydroquinazolin-2-ones. Organic & biomolecular chemistry 12(24) (2014) 4061-4064
Space group: P -1
Cell volume: 1526
Cell parameters: 7.925; 11.508; 17.714; 73.96; 81.78; 81.29;  

COD ID: 7153744
CIF file Formula: - C17 H14 Cl N3 -
Comments: Chen, Huoji; Yang, Wanfei; Wu, Wanqing; Jiang, Huanfeng Palladium-catalyzed regioselective azidation of allylic C-H bonds under atmospheric pressure of dioxygen. Organic & biomolecular chemistry 12(21) (2014) 3340-3343
Space group: P -1
Cell volume: 4379.3
Cell parameters: 9.448; 13.551; 34.449; 84.72; 86.19; 87.63;  

COD ID: 7153745
CIF file Formula: - C30 H29 N3 O2 -
Comments: Zhong, Sabilla; Nieger, Martin; Bihlmeier, Angela; Shi, Min; Bräse, Stefan Asymmetric organocatalytic synthesis of 4,6-bis(1H-indole-3-yl)-piperidine-2 carboxylates. Organic & biomolecular chemistry 12(20) (2014) 3265-3270
Space group: P 1
Cell volume: 626.45
Cell parameters: 7.9687; 9.4665; 9.6211; 62.398; 77.124; 81.985;  

COD ID: 7153746
CIF file Formula: - C23 H21 N3 O2 S0 -
Comments: Singh, Surjeet; Yadav, Pratik; Sahu, Satya Narayan; Althagafi, Ismail; Kumar, Abhinav; Kumar, Brijesh; Ram, Vishnu Ji; Pratap, Ramendra Synthesis of 1-amino-2-aroyl/acetylnaphthalenes through a base mediated one pot inter and intramolecular C-C bond formation strategy. Organic & biomolecular chemistry 12(26) (2014) 4730-4737
Space group: P -1
Cell volume: 1902.6
Cell parameters: 9.094; 13.65; 16.253; 80.99; 85.1; 72.87;  

COD ID: 7153747
CIF file Formula: - C19 H14 Cl N O4 S -
Comments: Yu, Lian; Cao, Jian Synthesis of α,β-unsaturated amides and iminocoumarins from N,N-disulfonyl ynamides with aldehydes via the ketenimine intermediate. Organic & biomolecular chemistry 12(23) (2014) 3986-3990
Space group: P -1
Cell volume: 933.06
Cell parameters: 6.4358; 12.1826; 12.7387; 103.653; 103.478; 95.006;  

COD ID: 7153748
CIF file Formula: - C19 H28 Cl N O6 S -
Comments: Callebaut, Gert; Colpaert, Filip; Nonn, Melinda; Kiss, Loránd; Sillanpää, Reijo; Törnroos, Karl W; Fülöp, Ferenc; De Kimpe, Norbert; Mangelinckx, Sven Asymmetric synthesis of chloroisothreonine derivatives via syn-stereoselective Mannich-type additions across N-sulfinyl-α-chloroimines. Organic & biomolecular chemistry 12(21) (2014) 3393-3405
Space group: P 1 21 1
Cell volume: 2209.7
Cell parameters: 6.2925; 22.0931; 15.8946; 90; 90.198; 90;  

COD ID: 7153749
CIF file Formula: - C15 H27 N O6 S -
Comments: Callebaut, Gert; Colpaert, Filip; Nonn, Melinda; Kiss, Loránd; Sillanpää, Reijo; Törnroos, Karl W; Fülöp, Ferenc; De Kimpe, Norbert; Mangelinckx, Sven Asymmetric synthesis of chloroisothreonine derivatives via syn-stereoselective Mannich-type additions across N-sulfinyl-α-chloroimines. Organic & biomolecular chemistry 12(21) (2014) 3393-3405
Space group: P 21 21 21
Cell volume: 1864.64
Cell parameters: 9.2379; 10.1214; 19.9426; 90; 90; 90;  

COD ID: 7153750
CIF file Formula: - C12 H24 Cl N O4 S -
Comments: Callebaut, Gert; Colpaert, Filip; Nonn, Melinda; Kiss, Loránd; Sillanpää, Reijo; Törnroos, Karl W; Fülöp, Ferenc; De Kimpe, Norbert; Mangelinckx, Sven Asymmetric synthesis of chloroisothreonine derivatives via syn-stereoselective Mannich-type additions across N-sulfinyl-α-chloroimines. Organic & biomolecular chemistry 12(21) (2014) 3393-3405
Space group: P 31
Cell volume: 2386.1
Cell parameters: 9.4099; 9.4099; 31.116; 90; 90; 120;  

COD ID: 7153751
CIF file Formula: - C60 H112 Si2 -
Comments: Setaka, Wataru; Higa, Sayaka; Yamaguchi, Kentaro Ring-closing metathesis for the synthesis of a molecular gyrotop. Organic & biomolecular chemistry 12(21) (2014) 3354-3357
Space group: P -1
Cell volume: 2935
Cell parameters: 12.308; 13.358; 18.357; 76.993; 87.634; 86.828;  

COD ID: 7153752
CIF file Formula: - C60 H112 Si2 -
Comments: Setaka, Wataru; Higa, Sayaka; Yamaguchi, Kentaro Ring-closing metathesis for the synthesis of a molecular gyrotop. Organic & biomolecular chemistry 12(21) (2014) 3354-3357
Space group: P -1
Cell volume: 5897.8
Cell parameters: 14.53; 18.768; 21.753; 95.313; 90.751; 92.942;  

COD ID: 7153755
CIF file Formula: - C18 H13 N O3 -
Comments: Zhang, Yu; Lu, Yingyan; Tang, Weifang; Lu, Tao; Du, Ding Cooperative N-heterocyclic carbene (NHC)-Lewis acid-mediated regioselective umpolung formal [3 + 2] annulations of alkynyl aldehydes with isatins. Organic & biomolecular chemistry 12(19) (2014) 3009-3015
Space group: P 21 21 21
Cell volume: 1454.1
Cell parameters: 8.954; 9.455; 17.176; 90; 90; 90;  

COD ID: 7153756
CIF file Formula: - C38 H48 N4 O12 Si2 -
Comments: Ye, Xincui; Sun, Xianwei; Huang, Zhenggang; Yang, Na; Su, Zhishan; Hu, Changwei; Song, Zhenlei Regioselective 1,4- over 1,2-addition of 3,3-bis(silyl) allyloxy lithium to enals, enones and enoates. The remarkable α-effect of silicon. Organic & biomolecular chemistry 12(19) (2014) 3021-3025
Space group: P -1
Cell volume: 2083.3
Cell parameters: 10.9442; 12.2254; 17.017; 83.291; 72.695; 73.531;  

COD ID: 7153757
CIF file Formula: - C35 H48 N4 O12 Si2 -
Comments: Ye, Xincui; Sun, Xianwei; Huang, Zhenggang; Yang, Na; Su, Zhishan; Hu, Changwei; Song, Zhenlei Regioselective 1,4- over 1,2-addition of 3,3-bis(silyl) allyloxy lithium to enals, enones and enoates. The remarkable α-effect of silicon. Organic & biomolecular chemistry 12(19) (2014) 3021-3025
Space group: P -1
Cell volume: 2188
Cell parameters: 8.2957; 9.7941; 27.385; 81.1; 84.633; 87.844;  

COD ID: 7153771
CIF file Formula: - C20 H15 N O4 -
Comments: Naganaboina, Ram Tilak; Nayak, Amrita; Peddinti, Rama Krishna Trifluoroacetic acid-promoted Michael addition-cyclization reactions of vinylogous carbamates. Organic & biomolecular chemistry 12(21) (2014) 3366-3370
Space group: P -1
Cell volume: 788.93
Cell parameters: 8.4042; 9.8413; 10.3659; 76.975; 72.998; 77.774;  

COD ID: 7153772
CIF file Formula: - C19 H18 N2 O10 S -
Comments: Naganaboina, Ram Tilak; Nayak, Amrita; Peddinti, Rama Krishna Trifluoroacetic acid-promoted Michael addition-cyclization reactions of vinylogous carbamates. Organic & biomolecular chemistry 12(21) (2014) 3366-3370
Space group: P 1 21/c 1
Cell volume: 2069.76
Cell parameters: 7.2807; 23.1644; 12.4215; 90; 98.89; 90;  

COD ID: 7153773
CIF file Formula: - C22 H17 N O6 -
Comments: Naganaboina, Ram Tilak; Nayak, Amrita; Peddinti, Rama Krishna Trifluoroacetic acid-promoted Michael addition-cyclization reactions of vinylogous carbamates. Organic & biomolecular chemistry 12(21) (2014) 3366-3370
Space group: P 1 21/c 1
Cell volume: 1818
Cell parameters: 8.447; 9.631; 22.349; 90; 91.54; 90;  

COD ID: 7153774
CIF file Formula: - C14 H17 N3 S4 -
Comments: Biet, Thomas; Avarvari, Narcis Tetrathiafulvalene mono- and bis-1,2,3-triazole precursors by click chemistry: structural diversity and reactivity. Organic & biomolecular chemistry 12(20) (2014) 3167-3174
Space group: P 1 21/c 1
Cell volume: 1505.9
Cell parameters: 5.3381; 25.844; 11.069; 90; 99.555; 90;  

COD ID: 7153775
CIF file Formula: - C18 H24 S4 Si2 -
Comments: Biet, Thomas; Avarvari, Narcis Tetrathiafulvalene mono- and bis-1,2,3-triazole precursors by click chemistry: structural diversity and reactivity. Organic & biomolecular chemistry 12(20) (2014) 3167-3174
Space group: P -1
Cell volume: 1151.3
Cell parameters: 6.3081; 8.1474; 22.67; 94.79; 96.73; 92.57;  

COD ID: 7153776
CIF file Formula: - C26 H22 N6 S4 -
Comments: Biet, Thomas; Avarvari, Narcis Tetrathiafulvalene mono- and bis-1,2,3-triazole precursors by click chemistry: structural diversity and reactivity. Organic & biomolecular chemistry 12(20) (2014) 3167-3174
Space group: P 21 21 21
Cell volume: 2665.3
Cell parameters: 6.7025; 19.621; 20.267; 90; 90; 90;  

COD ID: 7153777
CIF file Formula: - C18 H18 B F4 N3 S4 -
Comments: Biet, Thomas; Avarvari, Narcis Tetrathiafulvalene mono- and bis-1,2,3-triazole precursors by click chemistry: structural diversity and reactivity. Organic & biomolecular chemistry 12(20) (2014) 3167-3174
Space group: P -1
Cell volume: 1090.88
Cell parameters: 9.7854; 11.173; 11.332; 70.909; 81.108; 68.833;  

COD ID: 7153778
CIF file Formula: - C13 H8 Br N2 -
Comments: Qin, Wen-Bing; Zhu, Jia-Yi; Kong, Yu-Bo; Bao, Yun-Hong; Chen, Zheng-Wang; Liu, Liang-Xian Metal-free (Boc)2O-mediated C4-selective direct indolation of pyridines using TEMPO. Organic & biomolecular chemistry 12(24) (2014) 4252-4259
Space group: P 1 21/c 1
Cell volume: 1137.64
Cell parameters: 4.8956; 18.524; 12.7557; 90; 100.433; 90;  

COD ID: 7153779
CIF file Formula: - C13 H15 F3 N3 P -
Comments: Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry. Organic & biomolecular chemistry 12(22) (2014) 3635-3640
Space group: P 1 21 1
Cell volume: 709.36
Cell parameters: 5.4783; 6.9229; 18.7771; 90; 95.059; 90;  

COD ID: 7153780
CIF file Formula: - C21 H18 N3 P -
Comments: Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry. Organic & biomolecular chemistry 12(22) (2014) 3635-3640
Space group: P 1 21/c 1
Cell volume: 1835.29
Cell parameters: 10.0928; 10.6178; 17.3125; 90; 98.415; 90;  

COD ID: 7153781
CIF file Formula: - C20 H15 Br N3 P -
Comments: Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry. Organic & biomolecular chemistry 12(22) (2014) 3635-3640
Space group: P -1
Cell volume: 874.95
Cell parameters: 5.7216; 12.5095; 12.5281; 86.643; 79.834; 82.749;  

COD ID: 7153782
CIF file Formula: - C13 H21 B N3 O P -
Comments: Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry. Organic & biomolecular chemistry 12(22) (2014) 3635-3640
Space group: P 1 21/c 1
Cell volume: 1502.61
Cell parameters: 15.819; 7.2629; 13.1199; 90; 94.554; 90;  

COD ID: 7153783
CIF file Formula: - C12 H18 B Br N3 P -
Comments: Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry. Organic & biomolecular chemistry 12(22) (2014) 3635-3640
Space group: P -1
Cell volume: 781.55
Cell parameters: 7.6993; 10.2355; 11.5727; 105.331; 104.973; 107.292;  

COD ID: 7153784
CIF file Formula: - C20 H18 B Br N3 P -
Comments: Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry. Organic & biomolecular chemistry 12(22) (2014) 3635-3640
Space group: C 1 2/c 1
Cell volume: 3993.2
Cell parameters: 11.4175; 15.1163; 23.4211; 90; 98.935; 90;  

COD ID: 7153785
CIF file Formula: - C22 H29 B N3 P -
Comments: Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry. Organic & biomolecular chemistry 12(22) (2014) 3635-3640
Space group: P c a 21
Cell volume: 2173.25
Cell parameters: 11.0128; 7.8943; 24.9976; 90; 90; 90;  

COD ID: 7153786
CIF file Formula: - C14 H23 B N3 P -
Comments: Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry. Organic & biomolecular chemistry 12(22) (2014) 3635-3640
Space group: P 21 21 21
Cell volume: 1582.53
Cell parameters: 9.85; 11.141; 14.4209; 90; 90; 90;  

COD ID: 7153787
CIF file Formula: - C34 H52 Cl2 N6 P2 Pd -
Comments: Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry. Organic & biomolecular chemistry 12(22) (2014) 3635-3640
Space group: P 1 21/c 1
Cell volume: 1890.83
Cell parameters: 10.2656; 20.674; 9.0479; 90; 100.041; 90;  

COD ID: 7153788
CIF file Formula: - C12 H22 N4 O3 -
Comments: Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs. Organic & biomolecular chemistry 12(24) (2014) 4124-4131
Space group: P 21 21 21
Cell volume: 1532.34
Cell parameters: 9.2345; 10.4403; 15.8938; 90; 90; 90;  

COD ID: 7153789
CIF file Formula: - C16 H29 N5 O4 -
Comments: Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs. Organic & biomolecular chemistry 12(24) (2014) 4124-4131
Space group: P 1 21/c 1
Cell volume: 1956.72
Cell parameters: 10.243; 10.7344; 17.94; 90; 97.2641; 90;  

COD ID: 7153790
CIF file Formula: - C20 H36 N6 O5 -
Comments: Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs. Organic & biomolecular chemistry 12(24) (2014) 4124-4131
Space group: P -1
Cell volume: 2450.3
Cell parameters: 11.2952; 12.9363; 18.6722; 108.58; 96.72; 104.173;  

COD ID: 7153791
CIF file Formula: - C17 H30 N6 O5 -
Comments: Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs. Organic & biomolecular chemistry 12(24) (2014) 4124-4131
Space group: P 1 21/n 1
Cell volume: 2117.58
Cell parameters: 13.6156; 10.7583; 15.9339; 90; 114.869; 90;  

COD ID: 7153792
CIF file Formula: - C21 H39 N7 O7 -
Comments: Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs. Organic & biomolecular chemistry 12(24) (2014) 4124-4131
Space group: P -1
Cell volume: 2708.1
Cell parameters: 11.3347; 16.1397; 16.8748; 62.527; 85.251; 81.446;  

COD ID: 7153793
CIF file Formula: - C22 H16 Cl N5 O2 -
Comments: Huang, Xiao-Fei; Zhang, Ya-Fei; Qi, Zheng-Hang; Li, Nai-Kai; Geng, Zhi-Cong; Li, Kun; Wang, Xing-Wang Organocatalytic enantioselective construction of multi-functionalized spiro oxindole dienes. Organic & biomolecular chemistry 12(25) (2014) 4372-4385
Space group: P 61
Cell volume: 3992.9
Cell parameters: 21.6553; 21.6553; 9.8316; 90; 90; 120;  

COD ID: 7153794
CIF file Formula: - C5 H10 F6 N5 P -
Comments: Kitamura, Mitsuru; Kato, So; Yano, Masakazu; Tashiro, Norifumi; Shiratake, Yuichiro; Sando, Mitsuyoshi; Okauchi, Tatsuo A reagent for safe and efficient diazo-transfer to primary amines: 2-azido-1,3-dimethylimidazolinium hexafluorophosphate. Organic & biomolecular chemistry 12(25) (2014) 4397-4406
Space group: P 1 21/c 1
Cell volume: 1119.1
Cell parameters: 8.103; 12.083; 11.663; 90; 101.473; 90;  

COD ID: 7153795
CIF file Formula: - C14 H10 N2 O2 -
Comments: Chen, Jianbin; Natte, Kishore; Spannenberg, Anke; Neumann, Helfried; Beller, Matthias; Wu, Xiao-Feng Efficient palladium-catalyzed double carbonylation of o-dibromobenzenes: synthesis of thalidomide. Organic & biomolecular chemistry 12(30) (2014) 5578-5581
Space group: P 1 21/c 1
Cell volume: 1119.35
Cell parameters: 12.9282; 13.3172; 6.654; 90; 102.29; 90;  

COD ID: 7153796
CIF file Formula: - C11 H13 F N2 O2 -
Comments: Ramachary, Dhevalapally B.; Shruthi, Kodambahalli S. Asymmetric synthesis of tetrahydroquinolines through supramolecular organocatalysis. Organic & biomolecular chemistry 12(25) (2014) 4300-4304
Space group: P 21 21 21
Cell volume: 1108.6
Cell parameters: 8.1246; 9.2109; 14.8139; 90; 90; 90;  

COD ID: 7153797
CIF file Formula: - C22 H18 N4 O6 -
Comments: Sharma, Sanyog; Hundal, Maninder Singh; Walia, Amandeep; Vanita, Vanita; Hundal, Geeta Nanomolar fluorogenic detection of Al(iii) by a series of Schiff bases in an aqueous system and their application in cell imaging. Organic & biomolecular chemistry 12(25) (2014) 4445-4453
Space group: P 1 21/c 1
Cell volume: 1982.9
Cell parameters: 10.393; 26.134; 7.767; 90; 109.958; 90;  

COD ID: 7153798
CIF file Formula: - C21 H24 F N O2 S -
Comments: Wu, Lingmin; Xie, Chen; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi Highly efficient and generalized asymmetric synthesis of quaternary stereogenic carbon-containing β-amino indanones/indanoles via Mannich-type additions between 1-indanones and N-tert-butanesulfinylketimines. Organic & biomolecular chemistry 12(26) (2014) 4620-4627
Space group: P 65
Cell volume: 3418.3
Cell parameters: 16.1494; 16.1494; 15.1345; 90; 90; 120;  

COD ID: 7153799
CIF file Formula: - C27 H25 N5 -
Comments: Wen, Li-Rong; Lan, Ming-Chao; Yuan, Wen-Kui; Li, Ming DABCO-mediated isocyanide-based multicomponent reaction: synthesis of highly substituted cyclopentenes. Organic & biomolecular chemistry 12(26) (2014) 4628-4632
Space group: P 1 21/n 1
Cell volume: 4757.9
Cell parameters: 12.6638; 16.757; 22.426; 90; 91.22; 90;  

COD ID: 7153800
CIF file Formula: - C28 H28 N3 O2 -
Comments: Wen, Li-Rong; Lan, Ming-Chao; Yuan, Wen-Kui; Li, Ming DABCO-mediated isocyanide-based multicomponent reaction: synthesis of highly substituted cyclopentenes. Organic & biomolecular chemistry 12(26) (2014) 4628-4632
Space group: A b a 2
Cell volume: 5040.7
Cell parameters: 13.772; 27.468; 13.3251; 90; 90; 90;  

COD ID: 7153801
CIF file Formula: - C21 H21 N O3 -
Comments: Saravanan, Thangavelu; Jana, Sushital; Chadha, Anju Utilization of whole cell mediated deracemization in a chemoenzymatic synthesis of enantiomerically enriched polycyclic chromeno[4,3-b] pyrrolidines. Organic & biomolecular chemistry 12(26) (2014) 4682-4690
Space group: P 1 21/c 1
Cell volume: 1767.58
Cell parameters: 10.7869; 21.5015; 8.1152; 90; 110.098; 90;  

COD ID: 7153802
CIF file Formula: - C21 H19 N O3 -
Comments: Saravanan, Thangavelu; Jana, Sushital; Chadha, Anju Utilization of whole cell mediated deracemization in a chemoenzymatic synthesis of enantiomerically enriched polycyclic chromeno[4,3-b] pyrrolidines. Organic & biomolecular chemistry 12(26) (2014) 4682-4690
Space group: P -1
Cell volume: 826.55
Cell parameters: 8.0279; 10.048; 11.5774; 111.22; 99.322; 101.074;  

COD ID: 7153804
CIF file Formula: - C24 H19 N O -
Comments: King, Frank D.; Aliev, Abil; Caddick, Stephen; Tocher, Derek Cyclisation reactions of N-cinnamoyl-9-aminoanthracenes. Organic & biomolecular chemistry 12(20) (2014) 3211-3221
Space group: C 1 c 1
Cell volume: 1699.3
Cell parameters: 16.9504; 11.2305; 9.1731; 90; 103.305; 90;  

COD ID: 7153805
CIF file Formula: - C28.5 H21 N O -
Comments: King, Frank D.; Aliev, Abil; Caddick, Stephen; Tocher, Derek Cyclisation reactions of N-cinnamoyl-9-aminoanthracenes. Organic & biomolecular chemistry 12(20) (2014) 3211-3221
Space group: P -1
Cell volume: 1021.01
Cell parameters: 8.9866; 9.162; 13.9462; 93.732; 95.624; 115.839;  

COD ID: 7153806
CIF file Formula: - C16 H11 N O2 -
Comments: Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A. Studies on the stereochemical assignment of 3-acylidene 2-oxindoles. Organic & biomolecular chemistry 12(20) (2014) 3201-3210
Space group: P 21 21 21
Cell volume: 1191.52
Cell parameters: 4.896; 11.351; 21.44; 90; 90; 90;  

COD ID: 7153807
CIF file Formula: - C18 H15 N O3 -
Comments: Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A. Studies on the stereochemical assignment of 3-acylidene 2-oxindoles. Organic & biomolecular chemistry 12(20) (2014) 3201-3210
Space group: P 1 21/c 1
Cell volume: 1387.8
Cell parameters: 21.18; 3.9011; 16.838; 90; 94.004; 90;  

COD ID: 7153808
CIF file Formula: - C16 H10 Cl N O2 -
Comments: Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A. Studies on the stereochemical assignment of 3-acylidene 2-oxindoles. Organic & biomolecular chemistry 12(20) (2014) 3201-3210
Space group: P 1 21/n 1
Cell volume: 2569.8
Cell parameters: 14.514; 8.703; 21.592; 90; 109.575; 90;  

COD ID: 7153809
CIF file Formula: - C16 H10 Cl N O2 -
Comments: Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A. Studies on the stereochemical assignment of 3-acylidene 2-oxindoles. Organic & biomolecular chemistry 12(20) (2014) 3201-3210
Space group: P -1
Cell volume: 645.9
Cell parameters: 5.3737; 10.8985; 11.5417; 98.268; 99.008; 100.544;  

COD ID: 7153810
CIF file Formula: - C16 H11 Cl N2 O2 -
Comments: Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A. Studies on the stereochemical assignment of 3-acylidene 2-oxindoles. Organic & biomolecular chemistry 12(20) (2014) 3201-3210
Space group: P 1 21/c 1
Cell volume: 1374.1
Cell parameters: 11.728; 16.825; 7.205; 90; 104.87; 90;  

COD ID: 7153811
CIF file Formula: - C16 H15 N O3 -
Comments: Liu, Dandan; Ai, Long; Li, Fan; Zhao, Annan; Chen, Jingbo; Zhang, Hongbin; Liu, Jianping Total synthesis of lycorine-type alkaloids by cyclopropyl ring-opening rearrangement. Organic & biomolecular chemistry 12(20) (2014) 3191-3200
Space group: P 1 21/c 1
Cell volume: 1292.3
Cell parameters: 10.318; 12.8037; 10.6038; 90; 112.706; 90;  

COD ID: 7153812
CIF file Formula: - C16 H16 Br N O2 -
Comments: Liu, Dandan; Ai, Long; Li, Fan; Zhao, Annan; Chen, Jingbo; Zhang, Hongbin; Liu, Jianping Total synthesis of lycorine-type alkaloids by cyclopropyl ring-opening rearrangement. Organic & biomolecular chemistry 12(20) (2014) 3191-3200
Space group: P -1
Cell volume: 693.53
Cell parameters: 7.7674; 9.4798; 9.7608; 103.452; 95.382; 93.343;  

COD ID: 7153813
CIF file Formula: - C17 H19 N O4 -
Comments: Liu, Dandan; Ai, Long; Li, Fan; Zhao, Annan; Chen, Jingbo; Zhang, Hongbin; Liu, Jianping Total synthesis of lycorine-type alkaloids by cyclopropyl ring-opening rearrangement. Organic & biomolecular chemistry 12(20) (2014) 3191-3200
Space group: P 21 21 21
Cell volume: 1465.9
Cell parameters: 9.1314; 12.4725; 12.8711; 90; 90; 90;  

COD ID: 7153814
CIF file Formula: - C18 H16 N2 O -
Comments: Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N. Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK). Organic & biomolecular chemistry 12(26) (2014) 4656-4662
Space group: P 1 21/c 1
Cell volume: 1363.08
Cell parameters: 4.933; 15.0363; 18.3873; 90; 91.938; 90;  

COD ID: 7153815
CIF file Formula: - C18 H16 N2 O -
Comments: Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N. Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK). Organic & biomolecular chemistry 12(26) (2014) 4656-4662
Space group: P 21 21 21
Cell volume: 1372.9
Cell parameters: 4.9093; 14.694; 19.032; 90; 90; 90;  

COD ID: 7153816
CIF file Formula: - C17 H14 N2 O -
Comments: Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N. Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK). Organic & biomolecular chemistry 12(26) (2014) 4656-4662
Space group: R -3 :H
Cell volume: 5984.5
Cell parameters: 27.7895; 27.7895; 8.9482; 90; 90; 120;  

COD ID: 7153817
CIF file Formula: - C17 H14 N2 O -
Comments: Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N. Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK). Organic & biomolecular chemistry 12(26) (2014) 4656-4662
Space group: P 21 21 21
Cell volume: 1285.41
Cell parameters: 5.4152; 15.1404; 15.678; 90; 90; 90;  

COD ID: 7153818
CIF file Formula: - C16 H12 N2 O -
Comments: Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N. Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK). Organic & biomolecular chemistry 12(26) (2014) 4656-4662
Space group: P 1 21 1
Cell volume: 596.27
Cell parameters: 4.0054; 15.3131; 9.7743; 90; 95.953; 90;  

COD ID: 7153819
CIF file Formula: - C15 H10 N2 O -
Comments: Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N. Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK). Organic & biomolecular chemistry 12(26) (2014) 4656-4662
Space group: P 1 21/n 1
Cell volume: 1117.41
Cell parameters: 4.9825; 14.7961; 15.1704; 90; 92.397; 90;  

COD ID: 7153820
CIF file Formula: - C30 H28 N2 O6 -
Comments: El-Deeb, Ibrahim M; Rose, Faith J.; Healy, Peter C.; von Itzstein, Mark A versatile synthesis of "tafuramycin A": a potent anticancer and parasite attenuating agent. Organic & biomolecular chemistry 12(24) (2014) 4260-4264
Space group: P 1 21/c 1
Cell volume: 2453.4
Cell parameters: 19.347; 10.2965; 12.7704; 90; 105.329; 90;  

COD ID: 7153821
CIF file Formula: - C22 H19 I O4 S -
Comments: Hamnett, David J.; Moran, Wesley J. Improving alkynyl(aryl)iodonium salts: 2-anisyl as a superior aryl group. Organic & biomolecular chemistry 12(24) (2014) 4156-4162
Space group: P -1
Cell volume: 1052.85
Cell parameters: 8.3045; 10.2673; 12.5079; 86.717; 86.377; 82.051;  

COD ID: 7153822
CIF file Formula: - C18 H22 Cl Li N2 O3 -
Comments: Ziach, K.; Kulesza, A.; Jurczak, J. Fast imine equilibration and its consequences for the evaluation of dynamic combinatorial libraries. Organic & biomolecular chemistry 12(23) (2014) 3827-3830
Space group: C 1 c 1
Cell volume: 1814.34
Cell parameters: 21.6473; 7.6201; 13.154; 90; 123.262; 90;  

COD ID: 7153823
CIF file Formula: - C30 H54 O5 -
Comments: Yu, Jin-Hai; Shen, Yu; Liu, Hong-Bing; Leng, Ying; Zhang, Hua; Yue, Jian-Min Dammarane-type triterpenoids as 11β-HSD1 inhibitors from Homonoia riparia. Organic & biomolecular chemistry 12(26) (2014) 4716-4722
Space group: P 21 21 21
Cell volume: 2892.3
Cell parameters: 10.5637; 13.2734; 20.6274; 90; 90; 90;  

COD ID: 7153827
CIF file Formula: - C19 H20 I N O -
Comments: Han, Qingxin; Shi, Zhaohua; Tang, Xiaoliang; Yang, Lizi; Mou, Zuolin; Li, Jing; Shi, Jinmin; Chen, Chunyang; Liu, Wei; Yang, Huan; Liu, Weisheng A colorimetric and ratiometric fluorescent probe for distinguishing cysteine from biothiols in water and living cells. Organic & biomolecular chemistry 12(27) (2014) 5023-5030
Space group: P n m a
Cell volume: 1732.9
Cell parameters: 20.3874; 6.9055; 12.3088; 90; 90; 90;  

COD ID: 7153828
CIF file Formula: - C17 H17 N O2 -
Comments: Zhu, Xu; Chiba, Shunsuke TEMPO-mediated allylic C-H amination with hydrazones. Organic & biomolecular chemistry 12(26) (2014) 4567-4570
Space group: P 21 21 21
Cell volume: 1408.17
Cell parameters: 8.6589; 10.1791; 15.9766; 90; 90; 90;  

COD ID: 7153829
CIF file Formula: - C19 H20 N2 -
Comments: Zhu, Xu; Chiba, Shunsuke TEMPO-mediated allylic C-H amination with hydrazones. Organic & biomolecular chemistry 12(26) (2014) 4567-4570
Space group: P 1 21/n 1
Cell volume: 1529.25
Cell parameters: 8.7331; 14.7237; 11.9048; 90; 92.545; 90;  

COD ID: 7153830
CIF file Formula: - C23 H20 N2 -
Comments: Zhu, Xu; Chiba, Shunsuke TEMPO-mediated allylic C-H amination with hydrazones. Organic & biomolecular chemistry 12(26) (2014) 4567-4570
Space group: P 1 21/c 1
Cell volume: 3559.1
Cell parameters: 20.666; 9.5448; 20.3329; 90; 117.451; 90;  

COD ID: 7153831
CIF file Formula: - C20 H32 O -
Comments: Wang, Xian-Lei; Lu, Yun-Yu; Wang, Jie; Wang, Xuan; Yao, He-Quan; Lin, Guo-Qiang; Sun, Bing-Feng A novel synthetic approach to the bicyclo[5.3.1]undecan-11-one framework of vinigrol. Organic & biomolecular chemistry 12(22) (2014) 3562-3566
Space group: P -1
Cell volume: 884.6
Cell parameters: 9.401; 9.421; 10.588; 108.301; 93.15; 94.391;  

COD ID: 7153832
CIF file Formula: - C36 H39 Cl Hg O4 S4 -
Comments: Botha, F.; Böhm, S; Dvořáková, H; Eigner, V.; Lhoták, P Mercuration of thiacalix[4]arenes in the cone and 1,3-alternate conformations. Organic & biomolecular chemistry 12(28) (2014) 5136-5143
Space group: P 1 21 1
Cell volume: 3634.47
Cell parameters: 10.6542; 20.3405; 16.8979; 90; 97.027; 90;  

COD ID: 7153833
CIF file Formula: - C36 H39 Cl Hg O4 S4 -
Comments: Botha, F.; Böhm, S; Dvořáková, H; Eigner, V.; Lhoták, P Mercuration of thiacalix[4]arenes in the cone and 1,3-alternate conformations. Organic & biomolecular chemistry 12(28) (2014) 5136-5143
Space group: I 41/a :2
Cell volume: 33977.3
Cell parameters: 39.4696; 39.4696; 21.8104; 90; 90; 90;  

COD ID: 7153834
CIF file Formula: - C36 H39 Cl Hg O4 S4 -
Comments: Botha, F.; Böhm, S; Dvořáková, H; Eigner, V.; Lhoták, P Mercuration of thiacalix[4]arenes in the cone and 1,3-alternate conformations. Organic & biomolecular chemistry 12(28) (2014) 5136-5143
Space group: P 1 21/a 1
Cell volume: 3629.3
Cell parameters: 18.1361; 11.0596; 20.1127; 90; 115.888; 90;  

COD ID: 7153835
CIF file Formula: - C28 H20 O4 -
Comments: Xia, Likai; Cai, Hongyun; Lee, Yong Rok Catalyst-controlled regio- and stereoselective synthesis of diverse 12H-6,12-methanodibenzo[d,g][1,3]dioxocines. Organic & biomolecular chemistry 12(25) (2014) 4386-4396
Space group: C 1 c 1
Cell volume: 2106.1
Cell parameters: 23.832; 11.4009; 7.7827; 90; 95.137; 90;  

COD ID: 7153836
CIF file Formula: - C23 H18 O5 -
Comments: Xia, Likai; Cai, Hongyun; Lee, Yong Rok Catalyst-controlled regio- and stereoselective synthesis of diverse 12H-6,12-methanodibenzo[d,g][1,3]dioxocines. Organic & biomolecular chemistry 12(25) (2014) 4386-4396
Space group: P 1 21/n 1
Cell volume: 1815.88
Cell parameters: 16.2287; 6.0601; 18.4712; 90; 91.608; 90;  

COD ID: 7153837
CIF file Formula: - C18 H25 N O4 -
Comments: Su, Cunxiang; Xie, Ying; Pan, Hongjie; Liu, Mao; Tian, Hua; Shi, Yian Organocatalytic synthesis of optically active β-branched α-amino esters via asymmetric biomimetic transamination. Organic & biomolecular chemistry 12(31) (2014) 5856-5860
Space group: P 21 21 21
Cell volume: 1690.81
Cell parameters: 5.5701; 9.012; 33.683; 90; 90; 90;  

COD ID: 7153838
CIF file Formula: - C21 H21 N O2 S -
Comments: Brockmeyer, Fabian; Schoemaker, Robin; Schmidtmann, Marc; Martens, Jürgen Multicomponent reaction for the first synthesis of 2,2-dialkyl- and 2-alkyl-2-aralkyl-5,6-diaryl-2H-1,3-thiazines as scaffolds for various 3,4-dihydro-2H-1,3-thiazine derivatives. Organic & biomolecular chemistry 12(28) (2014) 5168-5181
Space group: P 1 21/c 1
Cell volume: 1804.89
Cell parameters: 15.9577; 6.3713; 17.8868; 90; 97.0337; 90;  

COD ID: 7153839
CIF file Formula: - C33 H26 N2 O2 S -
Comments: Zhu, Yu; Hong, Jun-Jie; Zhou, Yun-Bin; Xiao, Yu-Wei; Lin, Min; Zhan, Zhuang-Ping Selective synthesis of 4-(sulfonyl)-methyl-1H-pyrazoles and (E)-4,5-dihydro-1H-pyrazoles from N-allenic sulfonylhydrazones. Organic & biomolecular chemistry 12(23) (2014) 3797-3801
Space group: P 1 21/n 1
Cell volume: 2626
Cell parameters: 9.8941; 19.167; 14.2; 90; 102.8; 90;  

COD ID: 7153840
CIF file Formula: - C12 H16 O4 -
Comments: Ruiz, Jérémy; Mallet-Ladeira, Sonia; Maynadier, Marjorie; Vial, Henri; André-Barrès, Christiane Design, synthesis and evaluation of new tricyclic endoperoxides as potential antiplasmodial agents. Organic & biomolecular chemistry 12(28) (2014) 5212-5221
Space group: P -1
Cell volume: 559.89
Cell parameters: 6.4719; 8.7411; 10.9321; 110.196; 95.635; 101.286;  

COD ID: 7153841
CIF file Formula: - C12 H14 O4 -
Comments: Ruiz, Jérémy; Mallet-Ladeira, Sonia; Maynadier, Marjorie; Vial, Henri; André-Barrès, Christiane Design, synthesis and evaluation of new tricyclic endoperoxides as potential antiplasmodial agents. Organic & biomolecular chemistry 12(28) (2014) 5212-5221
Space group: P 1 21/c 1
Cell volume: 1088.27
Cell parameters: 6.5048; 20.2812; 8.3695; 90; 99.728; 90;  

COD ID: 7153842
CIF file Formula: - C17 H16 N2 O2 -
Comments: Lim, Zelong; Duggan, Peter J.; Meyer, Adam G.; Tuck, Kellie L. An iterative in silico and modular synthetic approach to aqueous soluble tercyclic α-helix mimetics. Organic & biomolecular chemistry 12(25) (2014) 4432-4444
Space group: P 1 21/c 1
Cell volume: 1428.46
Cell parameters: 10.8379; 7.0007; 18.8456; 90; 92.548; 90;  

COD ID: 7153843
CIF file Formula: - C16 H15 N3 O2 -
Comments: Lim, Zelong; Duggan, Peter J.; Meyer, Adam G.; Tuck, Kellie L. An iterative in silico and modular synthetic approach to aqueous soluble tercyclic α-helix mimetics. Organic & biomolecular chemistry 12(25) (2014) 4432-4444
Space group: P 1 21/n 1
Cell volume: 1361.09
Cell parameters: 12.9066; 7.1171; 15.1189; 90; 101.461; 90;  

COD ID: 7153845
CIF file Formula: - C17 H25 N5 O3 S -
Comments: Attanasi, Orazio A.; Favi, Gianfranco; Giorgi, Gianluca; Majer, Roberta; Perrulli, Francesca Romana; Santeusanio, Stefania Access to novel imidazo[1,5-a]pyrazine scaffolds by the combined use of a three-component reaction and a base-assisted intramolecular cyclization. Organic & biomolecular chemistry 12(26) (2014) 4610-4619
Space group: P -1
Cell volume: 1000.39
Cell parameters: 8.4371; 8.7423; 14.5956; 105.766; 98.497; 99.551;  

COD ID: 7153846
CIF file Formula: - C25 H25 Br O5 -
Comments: Kamlar, M.; Hybelbauerová, S; Císařová, I; Veselý, J Organocatalytic enantioselective allylic alkylation of MBH carbonates with β-keto esters. Organic & biomolecular chemistry 12(28) (2014) 5071-5076
Space group: P 1
Cell volume: 579.93
Cell parameters: 6.4597; 9.7895; 10.0741; 70.729; 76.156; 79.307;  

COD ID: 7153847
CIF file Formula: - C24 H26 O4 -
Comments: Kamlar, M.; Hybelbauerová, S; Císařová, I; Veselý, J Organocatalytic enantioselective allylic alkylation of MBH carbonates with β-keto esters. Organic & biomolecular chemistry 12(28) (2014) 5071-5076
Space group: P 1 21 1
Cell volume: 1016.73
Cell parameters: 9.6739; 8.7077; 12.2435; 90; 99.661; 90;  

COD ID: 7153848
CIF file Formula: - C10 H8 N2 O2 -
Comments: Pratap Reddy Gajulapalli, V.; Vinayagam, Poopathy; Kesavan, Venkitasamy Organocatalytic asymmetric decarboxylative cyanomethylation of isatins using l-proline derived bifunctional thiourea. Organic & biomolecular chemistry 12(24) (2014) 4186-4191
Space group: P 21 21 21
Cell volume: 923.96
Cell parameters: 5.6964; 12.6163; 12.8565; 90; 90; 90;  

COD ID: 7153849
CIF file Formula: - C49 H54 B F4 N3 O10 -
Comments: Farahani, Nasim; Zhu, Kelong; Noujeim, Nadim; Loeb, Stephen J. [2]Pseudorotaxane formation between rigid Y-shaped 2,4,5-triphenylimidazolium axles and [24]crown-8 ether wheels. Organic & biomolecular chemistry 12(27) (2014) 4824-4827
Space group: P 1 21/n 1
Cell volume: 9335
Cell parameters: 21.6481; 18.688; 24.7513; 90; 111.211; 90;  

COD ID: 7153850
CIF file Formula: - C23 H18 O7 -
Comments: Mehrparvar, Saber; Balalaie, Saeed; Rabbanizadeh, Mahnaz; Rominger, Frank; Ghabraie, Elmira Synthesis of functionalized chromones through sequential reactions in aqueous media. Organic & biomolecular chemistry 12(30) (2014) 5757-5765
Space group: C 1 2/c 1
Cell volume: 3864.2
Cell parameters: 18.6832; 9.6574; 22.636; 90; 108.894; 90;  

COD ID: 7153851
CIF file Formula: - C13 H18 O3 -
Comments: Yamamoto, Hiroaki; Ohkubo, Kei; Akimoto, Seiji; Fukuzumi, Shunichi; Tsuda, Akihiko Control of reaction pathways in the photochemical reaction of a quinone with tetramethylethylene by metal binding. Organic & biomolecular chemistry 12(36) (2014) 7004-7017
Space group: P 1 21/c 1
Cell volume: 1245.8
Cell parameters: 7.0639; 12.459; 14.36; 90; 99.692; 90;  

COD ID: 7153852
CIF file Formula: - C34 H28 F12 N2 O2 S2 -
Comments: Van Rossom, Wim; Terentyeva, Tatyana G.; Sodeyama, Keitaro; Matsushita, Yoshitaka; Tateyama, Yoshitaka; Ariga, Katsuhiko; Hill, Jonathan P. Arylpyrrole oligomers as tunable anion receptors. Organic & biomolecular chemistry 12(29) (2014) 5492-5499
Space group: P 1 21/a 1
Cell volume: 3363.7
Cell parameters: 9.4849; 18.4276; 19.2588; 90; 92.1781; 90;  

COD ID: 7153853
CIF file Formula: - C48 H55 F12 N3 O2 -
Comments: Van Rossom, Wim; Terentyeva, Tatyana G.; Sodeyama, Keitaro; Matsushita, Yoshitaka; Tateyama, Yoshitaka; Ariga, Katsuhiko; Hill, Jonathan P. Arylpyrrole oligomers as tunable anion receptors. Organic & biomolecular chemistry 12(29) (2014) 5492-5499
Space group: P 1 21/n 1
Cell volume: 9347
Cell parameters: 17.1963; 22.354; 24.519; 90; 97.389; 90;  

COD ID: 7153854
CIF file Formula: - C116 H130 Br N7 O11 -
Comments: White, Nicholas G.; Colaço, Ana R; Marques, Igor; Félix, Vítor; Beer, Paul D. Halide selective anion recognition by an amide-triazolium axle containing [2]rotaxane. Organic & biomolecular chemistry 12(27) (2014) 4924-4931
Space group: P -1
Cell volume: 4939.8
Cell parameters: 11.6001; 11.9543; 38.07; 92.117; 95.202; 109.608;  

COD ID: 7153855
CIF file Formula: - C22 H23 N3 O5 -
Comments: Pandey, Shashi; Kumar, S. Vinod; Kant, Ruchir; Chauhan, Prem M. S. Base mediated 7-exo-dig intramolecular cyclization of Ugi-propargyl precursors: a highly efficient and regioselective synthetic approach toward diverse 1,4-benzoxazepine-5(2H)-ones. Organic & biomolecular chemistry 12(29) (2014) 5346-5350
Space group: P -1
Cell volume: 1121.7
Cell parameters: 8.573; 11.482; 12.279; 98.521; 109.56; 92.004;  

COD ID: 7153856
CIF file Formula: - C26 H26 N2 O3 -
Comments: Pandey, Shashi; Kumar, S. Vinod; Kant, Ruchir; Chauhan, Prem M. S. Base mediated 7-exo-dig intramolecular cyclization of Ugi-propargyl precursors: a highly efficient and regioselective synthetic approach toward diverse 1,4-benzoxazepine-5(2H)-ones. Organic & biomolecular chemistry 12(29) (2014) 5346-5350
Space group: P 1 21/n 1
Cell volume: 4585
Cell parameters: 14.28; 21.368; 15.182; 90; 98.213; 90;  

COD ID: 7153857
CIF file Formula: - C21 H20 N2 O6 S -
Comments: Huynh, Thi Ngoc Tram; Retailleau, Pascal; Denhez, Clément; Nguyen, Kim Phi Phung; Guillaume, Dom Regioselective synthesis of 3,4,5-trisubstituted 2-aminofurans. Organic & biomolecular chemistry 12(28) (2014) 5098-5101
Space group: P 21 21 21
Cell volume: 2083
Cell parameters: 8.534; 15.242; 16.014; 90; 90; 90;  

COD ID: 7153858
CIF file Formula: - C21 H20 N2 O6 S -
Comments: Huynh, Thi Ngoc Tram; Retailleau, Pascal; Denhez, Clément; Nguyen, Kim Phi Phung; Guillaume, Dom Regioselective synthesis of 3,4,5-trisubstituted 2-aminofurans. Organic & biomolecular chemistry 12(28) (2014) 5098-5101
Space group: P 31
Cell volume: 1583
Cell parameters: 10.104; 10.104; 17.905; 90; 90; 120;  

COD ID: 7153859
CIF file Formula: - C16 H15 Cl N2 O2 -
Comments: Xin, Xiaoqing; Liu, Xu; Zhang, Dingyuan; Zhang, Rui; Liang, Yongjiu; Han, Fushe; Dong, Dewen Divergent synthesis of 2,3-dihydro-1H-pyrroles, 3-alkyl-1H-pyrroles and 3-alkenyl-1H-pyrroles from 2,4-pentadienenitriles and isocyanides. Organic & biomolecular chemistry 12(29) (2014) 5477-5483
Space group: P 1 21/c 1
Cell volume: 1598.2
Cell parameters: 13.476; 6.865; 17.826; 90; 104.273; 90;  

COD ID: 7153860
CIF file Formula: - C17 H16 N2 O3 -
Comments: Xin, Xiaoqing; Liu, Xu; Zhang, Dingyuan; Zhang, Rui; Liang, Yongjiu; Han, Fushe; Dong, Dewen Divergent synthesis of 2,3-dihydro-1H-pyrroles, 3-alkyl-1H-pyrroles and 3-alkenyl-1H-pyrroles from 2,4-pentadienenitriles and isocyanides. Organic & biomolecular chemistry 12(29) (2014) 5477-5483
Space group: P 1 21/c 1
Cell volume: 1559.7
Cell parameters: 8.8199; 12.7684; 13.8563; 90; 91.733; 90;  

COD ID: 7153861
CIF file Formula: - C20.25 H20.25 N2.25 O4.5 S0 -
Comments: Srivastava, Abhijeet; Shukla, Gaurav; Nagaraju, Anugula; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Jones, Raymond C. F.; Singh, Maya Shankar In(OTf)3-catalysed one-pot versatile pyrrole synthesis through domino annulation of α-oxoketene-N,S-acetals with nitroolefins. Organic & biomolecular chemistry 12(29) (2014) 5484-5491
Space group: P 21 21 21
Cell volume: 1921.7
Cell parameters: 9.259; 13.478; 15.399; 90; 90; 90;  

COD ID: 7153862
CIF file Formula: - C31 H25 N O S -
Comments: Srivastava, Abhijeet; Shukla, Gaurav; Nagaraju, Anugula; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Jones, Raymond C. F.; Singh, Maya Shankar In(OTf)3-catalysed one-pot versatile pyrrole synthesis through domino annulation of α-oxoketene-N,S-acetals with nitroolefins. Organic & biomolecular chemistry 12(29) (2014) 5484-5491
Space group: C 1 2/c 1
Cell volume: 4811.9
Cell parameters: 30.216; 5.9581; 26.7531; 90; 92.479; 90;  

COD ID: 7153863
CIF file Formula: - C7 H10 O6 -
Comments: Sudhakar, Gangarajula; Bayya, Shruthi; Kadam, Vilas D.; Nanubolu, Jagadeesh Babu Total synthesis of gonytolides C and G, lachnone C, and formal synthesis of blennolide C and diversonol. Organic & biomolecular chemistry 12(30) (2014) 5601-5610
Space group: P 21 21 21
Cell volume: 838.95
Cell parameters: 6.7699; 8.2068; 15.1001; 90; 90; 90;  

COD ID: 7153864
CIF file Formula: - C19 H12 O6 -
Comments: Li, Jing; Hou, Zheng; Chen, Guang-Hui; Li, Fen; Zhou, Ying; Xue, Xiao-Yan; Li, Zhou-Peng; Jia, Min; Zhang, Zi-Dan; Li, Ming-Kai; Luo, Xiao-Xing Synthesis, antibacterial activities, and theoretical studies of dicoumarols. Organic & biomolecular chemistry 12(29) (2014) 5528-5535
Space group: P 1 21/c 1
Cell volume: 1464.6
Cell parameters: 8.403; 15.083; 11.686; 90; 98.565; 90;  

COD ID: 7153865
CIF file Formula: - C20 H32 Cl4 Cu2 N4 O4 -
Comments: Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines. Organic & biomolecular chemistry 12(29) (2014) 5509-5516
Space group: P b c a
Cell volume: 2790.6
Cell parameters: 11.6403; 14.5767; 16.4463; 90; 90; 90;  

COD ID: 7153866
CIF file Formula: - C10 H16 Br2 Cu N2 O2 -
Comments: Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines. Organic & biomolecular chemistry 12(29) (2014) 5509-5516
Space group: P 1 21/c 1
Cell volume: 1441.1
Cell parameters: 10.506; 12.627; 12.057; 90; 115.714; 90;  

COD ID: 7153867
CIF file Formula: - C15 H19 Br2 Cu N3 O2 -
Comments: Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines. Organic & biomolecular chemistry 12(29) (2014) 5509-5516
Space group: P 1 21/c 1
Cell volume: 1856.7
Cell parameters: 10.5479; 15.7383; 11.3501; 90; 99.802; 90;  

COD ID: 7153868
CIF file Formula: - C14 H19 N O2 -
Comments: Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines. Organic & biomolecular chemistry 12(29) (2014) 5509-5516
Space group: P 1 21/c 1
Cell volume: 1279.6
Cell parameters: 14.4443; 6.1524; 14.5492; 90; 98.226; 90;  

COD ID: 7153869
CIF file Formula: - C10 H6 F N O2 -
Comments: Chen, Hao; Yao, Erdong; Xu, Chi; Meng, Xiao; Ma, Yuguo Unusual regio- and stereo-selectivity in Diels-Alder reactions between bulky N-phenylmaleimides and anthracene derivatives. Organic & biomolecular chemistry 12(28) (2014) 5102-5107
Space group: P b c a
Cell volume: 1712.8
Cell parameters: 10.892; 7.9279; 19.835; 90; 90; 90;  

COD ID: 7153870
CIF file Formula: - C26 H14 F5 N O4 -
Comments: Chen, Hao; Yao, Erdong; Xu, Chi; Meng, Xiao; Ma, Yuguo Unusual regio- and stereo-selectivity in Diels-Alder reactions between bulky N-phenylmaleimides and anthracene derivatives. Organic & biomolecular chemistry 12(28) (2014) 5102-5107
Space group: P 1 21/c 1
Cell volume: 2131.2
Cell parameters: 12.761; 20.483; 8.2482; 90; 98.692; 90;  

COD ID: 7153871
CIF file Formula: - C26 H17 F2 N O4 -
Comments: Chen, Hao; Yao, Erdong; Xu, Chi; Meng, Xiao; Ma, Yuguo Unusual regio- and stereo-selectivity in Diels-Alder reactions between bulky N-phenylmaleimides and anthracene derivatives. Organic & biomolecular chemistry 12(28) (2014) 5102-5107
Space group: P -1
Cell volume: 1011.3
Cell parameters: 9.309; 9.593; 12.074; 76.314; 76.794; 79.813;  

COD ID: 7153872
CIF file Formula: - C17 H11 N3 O2 S -
Comments: Zhu, Yi-Shuo; Shi, Benyi; Fang, Ran; Wang, Xiaoxuan; Jing, Huanwang Palladium-catalyzed microwave-assisted direct arylation of imidazo[2,1-b]thiazoles with aryl bromides: synthesis and mechanistic study. Organic & biomolecular chemistry 12(30) (2014) 5773-5780
Space group: P 32
Cell volume: 6822.3
Cell parameters: 18.3921; 18.3921; 23.2883; 90; 90; 120;  

COD ID: 7153873
CIF file Formula: - C16 H20 N4 O6 S -
Comments: Surya Prakash Rao, H.; Parthiban, A. One-pot pseudo three-component reaction of nitroketene-N,S-acetals and aldehydes for synthesis of highly functionalized hexa-substituted 1,4-dihydropyridines. Organic & biomolecular chemistry 12(32) (2014) 6223-6238
Space group: P -1
Cell volume: 876.22
Cell parameters: 7.6554; 9.9905; 12.4133; 84.57; 88.088; 67.987;  


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All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.