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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
1515889	CIF	C10 H32 B2 N4 Ni	P 1 21/c 1	7.1397; 12.8109; 8.7041 90; 109.948; 90	748.36	Churchard, Andrew James; Cyranski, Michał Ksawery; Dobrzycki, Łukasz; Budzianowski, Armand; Grochala, Wojciech Nickel macrocycles with complex hydrides—new avenues for hydrogen storage research Energy & Environmental Science, 2010, 3, 1973
1515890	CIF	C17 H20 Co N5 O1.5	I 41/a m d :2	22.847; 22.847; 12.458 90; 90; 90	6503	Choi, Hye Jin; Dincă, Mircea; Dailly, Anne; Long, Jeffrey R. Hydrogen storage in water-stable metal‒organic frameworks incorporating 1,3- and 1,4-benzenedipyrazolate Energy & Environmental Science, 2010, 3, 117
1515891	CIF	C201 H189 Cl18 F12 N8 O20 P8 Pd4 S4	P 1 21/n 1	21.659; 23.21; 26.022 90; 100.67; 90	12855	Eastoe, Julian; Fairlamb, Ian J. S.; Fernández-Hernández, Jesús M.; Filali, Emane; Jeffery, John C.; Lloyd-Jones, Guy C.; Martorell, Aina; Meadowcroft, Antony; Norrby, Per-Ola; Riis-Johannessen, Thomas; Sale, David A.; Tomlin, Paula M. Interrogation of a dynamic multi-catalyst ensemble in asymmetric catalysis Faraday Discussions, 2010, 145, 27
1515892	CIF	C33 H52 Cl2 Cu2 N6 O5	P -1	11.83; 12.567; 13.948 90.41; 107.95; 96.696	1957.2	Lee, Wan Yen; Lee, Peter Peng Foo; Yan, Yaw Kai; Lau, Mathew Cytotoxic copper(II) salicylaldehyde semicarbazone complexes: mode of action and proteomic analysis. Metallomics : integrated biometal science, 2010, 2, 694-705
1515893	CIF	C34 H37 Cl N2 O4 Sn	P 1 21/n 1	9.9082; 30.6676; 11.2189 90; 107.661; 90	3248.3	Kaluđerović, Goran N; Kommera, Harish; Hey-Hawkins, Evamarie; Paschke, Reinhard; Gómez-Ruiz, Santiago Synthesis and biological applications of ionic triphenyltin(IV) chloride carboxylate complexes with exceptionally high cytotoxicity. Metallomics : integrated biometal science, 2010, 2, 419-428
1515894	CIF	C45 H59 Co N3 O5.5	P 1 21/c 1	13.205; 16.068; 21.477 90; 105.504; 90	4391	Saha, Sounik; Majumdar, Ritankar; Dighe, Rajan R.; Chakravarty, Akhil R. Enhanced photodynamic effect of cobalt(III) dipyridophenazine complex on thyrotropin receptor expressing HEK293 cells. Metallomics : integrated biometal science, 2010, 2, 754-765
1515895	CIF	C31 H41 Cl F In N8 O10	P 1 21/c 1	9.3886; 26.4945; 13.4424 90; 93.837; 90	3336.25	Garcia, Raquel; Kubíček, Vojtěch; Drahoš, Bohuslav; Gano, Lurdes; Santos, Isabel C.; Campello, Paula; Paulo, António; Tóth, Eva; Santos, Isabel Synthesis, characterization and biological evaluation of In(III) complexes anchored by DOTA-like chelators bearing a quinazoline moiety. Metallomics : integrated biometal science, 2010, 2, 571-580
1515896	CIF	C42 H22 Cl12 N4 O10	P -1	9.3384; 10.8469; 12.0839 99.18; 104.737; 109.772	1072.6	Pandurangan, Komala; Gallagher, Shane; Morgan, Grace G.; Müller-Bunz, Helge; Paradisi, Francesca Structure and antibacterial activity of the silver(I) complex of 2-aminophenoxazine-3-one. Metallomics : integrated biometal science, 2010, 2, 530-534
1515897	CIF	C12 H8 Ag N3 O5	P -1	5.1653; 10.3434; 11.0739 99.015; 98.899; 91.963	576.26	Pandurangan, Komala; Gallagher, Shane; Morgan, Grace G.; Müller-Bunz, Helge; Paradisi, Francesca Structure and antibacterial activity of the silver(I) complex of 2-aminophenoxazine-3-one. Metallomics : integrated biometal science, 2010, 2, 530-534
1515898	CIF	C24 H20 Br2 O2	P 1 21/n 1	12.0856; 7.4117; 23.495 90; 90.629; 90	2104.4	Huang, Changfeng; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K. Functionalized Carbon Nanohoops: Synthesis and Structure of a [9]Cycloparaphenylene Bearing Three 5,8-Dimethoxynaphth-1,4-diyl Units. Organic letters, 2014, 16, 2672-2675
1515899	CIF	C51 H47 O4	P 1 21/n 1	15.9298; 30.8837; 23.5589 90; 90.976; 90	11588.6	Huang, Changfeng; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K. Functionalized Carbon Nanohoops: Synthesis and Structure of a [9]Cycloparaphenylene Bearing Three 5,8-Dimethoxynaphth-1,4-diyl Units. Organic letters, 2014, 16, 2672-2675
1515900	CIF	C22 H16 Br2 O2	P 1 21/c 1	12.845; 6.7365; 22.24 90; 101.173; 90	1888	Huang, Changfeng; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K. Functionalized Carbon Nanohoops: Synthesis and Structure of a [9]Cycloparaphenylene Bearing Three 5,8-Dimethoxynaphth-1,4-diyl Units. Organic letters, 2014, 16, 2672-2675
1515901	CIF	C14 H22 O	P 21 21 21	5.8497; 8.507; 24.476 90; 90; 90	1218	Terada, Takuma; Kurahashi, Takuya; Matsubara, Seijiro Diastereoselective Construction of Trans-Fused Octalone Framework via Ruthenium-Porphyrin-Catalyzed Cycloaddition. Organic letters, 2014, 16, 2594-2597
1515902	CIF	C16 H17 Cl O	P -1	5.4255; 9.6517; 12.7498 91.736; 93.937; 94.455	663.63	Terada, Takuma; Kurahashi, Takuya; Matsubara, Seijiro Diastereoselective Construction of Trans-Fused Octalone Framework via Ruthenium-Porphyrin-Catalyzed Cycloaddition. Organic letters, 2014, 16, 2594-2597
1515903	CIF	C12 H18 O	P 1 21/c 1	19.218; 5.8015; 9.748 90; 101.087; 90	1066.6	Terada, Takuma; Kurahashi, Takuya; Matsubara, Seijiro Diastereoselective Construction of Trans-Fused Octalone Framework via Ruthenium-Porphyrin-Catalyzed Cycloaddition. Organic letters, 2014, 16, 2594-2597
1515904	CIF	C20 H13 N3 O S	P -1	8.9629; 9.0475; 10.4647 111.391; 90.22; 91.569	789.76	Neto, Brenno A. D.; Lapis, Alexandre A. M.; Mancilha, Fabiana S.; Batista, Jr, Eraldo L; Netz, Paulo A.; Rominger, Frank; Basso, Luiz A.; Santos, Diógenes S; Dupont, Jaïrton On the selective detection of duplex deoxyribonucleic acids by 2,1,3-benzothiadiazole fluorophores. Molecular bioSystems, 2010, 6, 967-975
1515905	CIF	C20 H13 N3 O S	P -1	7.491; 16.4275; 21.0326 107.378; 96.119; 97.804	2417.4	Neto, Brenno A. D.; Lapis, Alexandre A. M.; Mancilha, Fabiana S.; Batista, Jr, Eraldo L; Netz, Paulo A.; Rominger, Frank; Basso, Luiz A.; Santos, Diógenes S; Dupont, Jaïrton On the selective detection of duplex deoxyribonucleic acids by 2,1,3-benzothiadiazole fluorophores. Molecular bioSystems, 2010, 6, 967-975
1515906	CIF	C60 H52 Mo2 N6 O10	P -1	9.8; 12.6442; 23.2653 100.197; 100.351; 100.798	2718.72	Brown-Xu, Samantha E.; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Spilker, Thomas F.; Young, Philip J. Molybdenum–molybdenum quadruple bonds supported by 9,10-anthraquinone carboxylate ligands. Molecular, electronic, ground state and unusual photoexcited state properties Chemical Science, 2014, 5, 2657
1515907	CIF	C47 H55 Al N3 O2	P 1 21/c 1	13.6878; 11.4342; 27.5312 90; 109.089; 90	4071.94	Myers, T. W.; Berben, L. A. Aluminium‒ligand cooperation promotes selective dehydrogenation of formic acid to H2 and CO2 Chemical Science, 2014, 5, 2771
1515908	CIF	C12 H30 Cl2 Co N4 O4	R 3 c :H	9.891; 9.891; 33.183 90; 90; 120	2811	Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes Chemical Science, 2014, 5, 3418
1515909	CIF	C12 H30 Br2 Co N4	P 21 3	12.0262; 12.0262; 12.0262 90; 90; 90	1739.34	Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes Chemical Science, 2014, 5, 3418
1515910	CIF	C12 H30 Cl2 N4 O4 Zn	R 3 c :H	9.9025; 9.9025; 33.1835 90; 90; 120	2818.01	Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes Chemical Science, 2014, 5, 3418
1515911	CIF	C29 H22 F6 S2	P b c n	22.339; 10.971; 10.585 90; 90; 90	2594.2	Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 221-225
1515912	CIF	C29 H22 F6 S2	P b c n	22.3; 11.026; 10.542 90; 90; 90	2592	Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 221-225
1515913	CIF	C27 H20 F6 N2 S2	P b c n	21.5461; 10.8096; 10.8098 90; 90; 90	2517.7	Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 221-225
1515914	CIF	C27 H20 F6 N2 S2	P b c n	21.586; 10.8692; 10.7268 90; 90; 90	2516.7	Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 221-225
1515915	CIF	C27 H20 F6 N2 S2	P 1 21/c 1	9.5508; 19.4249; 13.5268 90; 95.743; 90	2496.9	Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 221-225
1515916	CIF	C31 H26 F6 S2	P b c n	21.307; 12.193; 10.669 90; 90; 90	2771.8	Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 221-225
1515917	CIF	C21 H21 B F2 N2 O2	C 1 2 1	32.787; 7.992; 7.252 90; 90.19; 90	1900.3	Filarowski, Aleksander; Kluba, Małgorzata; Cieślik-Boczula, Katarzyna; Koll, Aleksander; Kochel, Andrzej; Pandey, Lesley; De Borggraeve, Wim M.; Van der Auweraer, Mark; Catalán, Javier; Boens, Noël Generalized solvent scales as a tool for investigating solvent dependence of spectroscopic and kinetic parameters. Application to fluorescent BODIPY dyes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 996-1008
1515918	CIF	C50 H34 Cl4 F4 Ir N7 O3	P -1	10.5366; 12.5473; 17.9886 103.206; 94.101; 95.199	2295.33	Tart, Nicholas M.; Sykes, Daniel; Sazanovich, Igor; Tidmarsh, Ian S.; Ward, Michael D. Iridium(III) luminophores as energy donors for sensitised emission from lanthanides in the visible and near-infrared regions. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 886-889
1515919	CIF	C23 H15 B F2 N2	P b c a	13.0065; 12.4226; 21.8351 90; 90; 90	3528	Benniston, Andrew C.; Harriman, Anthony; Whittle, Victoria L.; Zelzer, Mischa; Harrington, Ross W.; Clegg, William Exciplex-like emission from a closely-spaced, orthogonally-sited anthracenyl-boron dipyrromethene (Bodipy) molecular dyad. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 1009-1017
1515920	CIF	C31 H26 B2 F8 N2 O	C 1 2/c 1	30.0651; 13.6116; 15.4512 90; 114.351; 90	5760.63	El-Idreesy, Tamer T; Clennan, Edward L. Computational and experimental evidence for the first direct spectroscopic detection of the pyrylogen neutral redox partner. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 796-800
1515921	CIF	C30 H31 B2 F8 N O7	P -1	8.7453; 14.2435; 14.7221 118.767; 91.692; 95.485	1594.15	El-Idreesy, Tamer T; Clennan, Edward L. Computational and experimental evidence for the first direct spectroscopic detection of the pyrylogen neutral redox partner. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 796-800
1515922	CIF	C45 H30 F6 S2	P c c n	26.732; 8.0585; 16.3195 90; 90; 90	3515.5	Ohara, Hiroki; Morimoto, Masakazu; Irie, Masahiro Photochromism of dithienylethene single crystals having anthracene substituents. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 1079-1081
1515923	CIF	C45 H30 F6 S2	P -1	9.8648; 11.9212; 15.7333 70.46; 82.316; 82.209	1719.8	Ohara, Hiroki; Morimoto, Masakazu; Irie, Masahiro Photochromism of dithienylethene single crystals having anthracene substituents. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 1079-1081
1515924	CIF	C45 H30 F6 S2	P -1	9.8101; 11.5143; 16.5482 72.389; 86.286; 81.997	1763.8	Ohara, Hiroki; Morimoto, Masakazu; Irie, Masahiro Photochromism of dithienylethene single crystals having anthracene substituents. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 1079-1081
1515925	CIF	C6 H7 Br O4	P 1 21 1	8.349; 5.2884; 9.007 90; 101.9; 90	389.1	Fiore, Gina L.; Jing, Feng; Young, Jr., Victor G.; Cramer, Christopher J.; Hillmyer, Marc A. High Tg aliphatic polyesters by the polymerization of spirolactide derivatives Polymer Chemistry, 2010, 1, 870
1515926	CIF	C6 H6 O4	P 1 21 1	5.7525; 7.0293; 7.8151 90; 99.916; 90	311.29	Fiore, Gina L.; Jing, Feng; Young, Jr., Victor G.; Cramer, Christopher J.; Hillmyer, Marc A. High Tg aliphatic polyesters by the polymerization of spirolactide derivatives Polymer Chemistry, 2010, 1, 870
1515927	CIF	C22 H19 N	P b c a	16.1137; 8.8958; 22.983 90; 90; 90	3294.5	Greenberg, Sharonna; Stephan, Douglas W. Hydroamination as a route to nitrogen-containing oligomers Polymer Chemistry, 2010, 1, 1332
1515928	CIF	C20 H17 N	P 1 21/n 1	5.5976; 8.3168; 31.769 90; 92.784; 90	1477.2	Greenberg, Sharonna; Stephan, Douglas W. Hydroamination as a route to nitrogen-containing oligomers Polymer Chemistry, 2010, 1, 1332
1515929	CIF	C26 H29 N	P 1 21/c 1	11.2839; 11.8464; 15.6094 90; 94.908; 90	2078.91	Greenberg, Sharonna; Stephan, Douglas W. Hydroamination as a route to nitrogen-containing oligomers Polymer Chemistry, 2010, 1, 1332
1515930	CIF	C96 H136 Br4 Cu4 N24 O23	I 41/a :2	18.241; 18.241; 35.422 90; 90; 90	11786	Piepenbrock, Marc-Oliver M.; Clarke, Nigel; Steed, Jonathan W. Shear induced gelation in a copper(ii) metallogel: new aspects of ion-tunable rheology and gel-reformation by external chemical stimuli Soft Matter, 2010, 6, 3541
1515931	CIF	C48.8 H73.6 Br4 Cu2 N12 O12	P 1 21/n 1	8.215; 8.5279; 42.049 90; 92.813; 90	2942.3	Piepenbrock, Marc-Oliver M.; Clarke, Nigel; Steed, Jonathan W. Shear induced gelation in a copper(ii) metallogel: new aspects of ion-tunable rheology and gel-reformation by external chemical stimuli Soft Matter, 2010, 6, 3541
1515932	CIF	C30 H51 N O4 S	P 1 21 1	10.1039; 7.5996; 19.6507 90; 101.655; 90	1477.78	Noponen, Virpi; Nonappa,; Lahtinen, Manu; Valkonen, Arto; Salo, Hannu; Kolehmainen, Erkki; Sievänen, Elina Bile acid–amino acid ester conjugates: gelation, structural properties, and thermoreversible solid to solid phase transition Soft Matter, 2010, 6, 3789
1515933	CIF	C30 H51 N O4 S	P 1 21 1	9.9056; 7.6387; 19.5268 90; 104.788; 90	1428.57	Noponen, Virpi; Nonappa,; Lahtinen, Manu; Valkonen, Arto; Salo, Hannu; Kolehmainen, Erkki; Sievänen, Elina Bile acid–amino acid ester conjugates: gelation, structural properties, and thermoreversible solid to solid phase transition Soft Matter, 2010, 6, 3789
1515934	CIF	C30 H51 N O5 S	P 1 21 1	10.1765; 7.5262; 19.5268 90; 102.747; 90	1458.71	Noponen, Virpi; Nonappa,; Lahtinen, Manu; Valkonen, Arto; Salo, Hannu; Kolehmainen, Erkki; Sievänen, Elina Bile acid–amino acid ester conjugates: gelation, structural properties, and thermoreversible solid to solid phase transition Soft Matter, 2010, 6, 3789
1515935	CIF	C30 H51 N O6 S	P 1 21 1	10.2484; 7.5897; 19.3681 90; 105.323; 90	1452.94	Noponen, Virpi; Nonappa,; Lahtinen, Manu; Valkonen, Arto; Salo, Hannu; Kolehmainen, Erkki; Sievänen, Elina Bile acid–amino acid ester conjugates: gelation, structural properties, and thermoreversible solid to solid phase transition Soft Matter, 2010, 6, 3789
1515936	CIF	C27 H22 N2 O3	C 1 2/c 1	18.473; 14.611; 8.4322 90; 103.972; 90	2208.6	Xu, Yun-Xiang; Wang, Gui-Tao; Zhao, Xin; Jiang, Xi-Kui; Li, Zhan-Ting Controllable self-assemblies of micro/nano-tubes and vesicles from arylamides and their applications as templates to fabricate Pt micro/nano-tubes and hollow Pt nanospheres Soft Matter, 2010, 6, 1246
1515937	CIF	C17 H18 N2 O5	P 1 21 1	9.872; 4.921; 16.859 90; 96.518; 90	813.7	Adams, Dave J.; Morris, Kyle; Chen, Lin; Serpell, Louise C.; Bacsa, John; Day, Graeme M. The delicate balance between gelation and crystallisation: structural and computational investigations Soft Matter, 2010, 6, 4144
1515938	CIF	C17 H18 N2 O5	P 21 21 21	9.917; 11.1123; 28.247 90; 90; 90	3112.8	Adams, Dave J.; Morris, Kyle; Chen, Lin; Serpell, Louise C.; Bacsa, John; Day, Graeme M. The delicate balance between gelation and crystallisation: structural and computational investigations Soft Matter, 2010, 6, 4144
1515939	CIF	C35 H36 N4 O3	P -1	10.054; 12.46; 14.07 67.827; 84.198; 67.677	1508.1	Zhang, Wenshen; Tang, Bo; Liu, Xia; Liu, Yuanyuan; Xu, Kehua; Ma, Jianping; Tong, Lili; Yang, Guiwen A highly sensitive acidic pH fluorescent probe and its application to HepG2 cells. The Analyst, 2009, 134, 367-371
1515940	CIF	C37 H38 N6 O3	P -1	10.023; 12.111; 15.207 102.21; 96.443; 113.896	1608.6	Yu, Fabiao; Zhang, Wenshen; Li, Ping; Xing, Yanlong; Tong, Lili; Ma, Jianping; Tang, Bo Cu2±selective naked-eye and fluorescent probe: its crystal structure and application in bioimaging. The Analyst, 2009, 134, 1826-1833
1515941	CIF	C37 H39 Br3 Cl Cu Hg N6 O3	P -1	9.5212; 11.861; 17.621 92.939; 94.128; 102.065	1936.5	Yu, Fabiao; Zhang, Wenshen; Li, Ping; Xing, Yanlong; Tong, Lili; Ma, Jianping; Tang, Bo Cu2±selective naked-eye and fluorescent probe: its crystal structure and application in bioimaging. The Analyst, 2009, 134, 1826-1833
1515942	CIF	C20.5 H21 Cl N2 O2	P 1 21/c 1	11.233; 22.492; 7.1548 90; 99.452; 90	1783.1	Min, Chang; Sanchawala, Abbas; Seidel, Daniel Dual C-H Functionalization of N-Aryl Amines: Synthesis of Polycyclic Amines via an Oxidative Povarov Approach. Organic letters, 2014, 16, 2756-2759
1515943	CIF	C50 H62 Br2 N2 O2	P -1	5.5633; 9.9288; 19.482 96.408; 94.57; 95.403	1060.22	Zhang, Haichang; Neudörfl, Jörg-Martin; Tieke, Bernd 1,6-Naphthodione-based monomers and polymers Polymer Chemistry, 2014, 5, 3754
1515944	CIF	C41.5 H29.5 N3 O2.75	I 41/a :2	28.41; 28.41; 16.57 90; 90; 90	13374	Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; Drew, Michael G. B.; Gan, Yu Recognition of sequence-information in synthetic copolymer chains by a conformationally-constrained tweezer molecule Faraday Discussions, 2009, 143, 205
1515945	CIF	C74 H39 F6 N3 O8	P -1	10.7436; 15.0043; 25.7202 81.728; 89.451; 73.073	3922.9	Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; Drew, Michael G. B.; Gan, Yu Recognition of sequence-information in synthetic copolymer chains by a conformationally-constrained tweezer molecule Faraday Discussions, 2009, 143, 205
1515946	CIF	C46 H27 N O4	I b a 2	12.7723; 16.8766; 14.4195 90; 90; 90	3108.17	Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; Drew, Michael G. B.; Gan, Yu Recognition of sequence-information in synthetic copolymer chains by a conformationally-constrained tweezer molecule Faraday Discussions, 2009, 143, 205
1515947	CIF	C28 H37 N O5 Si	P 21 21 2	15.368; 55.574; 6.2795 90; 90; 90	5363.1	Trost, Barry M.; Ehmke, Veronika An approach for rapid increase in molecular complexity: atom economic routes to fused polycyclic ring systems. Organic letters, 2014, 16, 2708-2711
1515948	CIF	C28 H26 N2 O4 Ti	C 1 2 1	25.394; 7.3361; 6.313 90; 98.11; 90	1164.31	Claffey, James; Deally, Anthony; Gleeson, Brendan; Hogan, Megan; Méndez, Luis Miguel Menéndez; Müller-Bunz, Helge; Patil, Siddappa; Wallis, Denise; Tacke, Matthias Pseudo-halide derivatives of titanocene: synthesis and cytotoxicity studies. Metallomics : integrated biometal science, 2009, 1, 511-517
1515949	CIF	C28 H26 N2 O2 S2 Ti	C 1 2/c 1	14.6085; 7.9381; 21.7937 90; 98.048; 90	2502.4	Claffey, James; Deally, Anthony; Gleeson, Brendan; Hogan, Megan; Méndez, Luis Miguel Menéndez; Müller-Bunz, Helge; Patil, Siddappa; Wallis, Denise; Tacke, Matthias Pseudo-halide derivatives of titanocene: synthesis and cytotoxicity studies. Metallomics : integrated biometal science, 2009, 1, 511-517
1515950	CIF	C26 H22 O4	P 1 21/c 1	12.751; 7.873; 20.264 90; 103.84; 90	1975.2	Lu, Zhi-Feng; Yue, Jia-Jun; Zhu, Ye; Hu, Hong-Wen; Xu, Jian-Hua Photo-multicomponent reactions leading to the construction of isocoumarins and large ring lactone precursors Photochemical & Photobiological Sciences, 2009, 8, 217
1515951	CIF	C46 H66 Cl4 K2 N2 O13 Pt2	P -1	10.6085; 14.149; 19.981 110.6; 103.178; 92.221	2710.1	Kobayashi, Masayuki; Masaoka, Shigeyuki; Sakai, Ken Synthesis, crystal structure, solution and spectroscopic properties, and hydrogen-evolving activity of [K(18-crown-6)][Pt(ii)(2-phenylpyridinato)Cl2] Photochemical & Photobiological Sciences, 2009, 8, 196
1515952	CIF	C14 H15 Cl N2 O Pt	P 1 21/n 1	8.6659; 8.0222; 39.984 90; 91.551; 90	2778.7	Kobayashi, Masayuki; Masaoka, Shigeyuki; Sakai, Ken Synthesis, crystal structure, solution and spectroscopic properties, and hydrogen-evolving activity of [K(18-crown-6)][Pt(ii)(2-phenylpyridinato)Cl2] Photochemical & Photobiological Sciences, 2009, 8, 196
1515953	CIF	C31 H30 O	P 1 2/n 1	8.1279; 6.3065; 22.035 90; 97.416; 90	1120	Hoijemberg, Pablo Ariel; Karlen, Steven D.; Sanramé, Carlos Norberto; Aramendía, Pedro Francisco; García-Garibay, Miguel Angel Photolysis of an asymmetrically substituted diazene in solution and in the crystalline state. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2009, 8, 961-969
1515954	CIF	C19 H24 N2	P 21 21 21	5.98; 8.0417; 33.922 90; 90; 90	1631.3	Hoijemberg, Pablo Ariel; Karlen, Steven D.; Sanramé, Carlos Norberto; Aramendía, Pedro Francisco; García-Garibay, Miguel Angel Photolysis of an asymmetrically substituted diazene in solution and in the crystalline state. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2009, 8, 961-969
1515955	CIF	C15 H21 N O	P 1 21/c 1	11.12; 10.165; 12.745 90; 108.04; 90	1370	Ayitou, Anoklase Jean-Luc; Ugrinov, Angel; Sivaguru, J. 6pi-Photocyclization of O-tert-butylacrylanilides. N-substitution dictates the regiochemistry of cyclization. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2009, 8, 751-754
1515956	CIF	C15 H21 N O	I -4	17.588; 17.588; 8.963 90; 90; 90	2773	Ayitou, Anoklase Jean-Luc; Ugrinov, Angel; Sivaguru, J. 6pi-Photocyclization of O-tert-butylacrylanilides. N-substitution dictates the regiochemistry of cyclization. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2009, 8, 751-754
1515957	CIF	C19 H29 N O	P -1	11.073; 14.119; 14.351 115.446; 96.908; 107.764	1845	Ayitou, Anoklase Jean-Luc; Ugrinov, Angel; Sivaguru, J. 6pi-Photocyclization of O-tert-butylacrylanilides. N-substitution dictates the regiochemistry of cyclization. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2009, 8, 751-754
1515958	CIF	C23 H16 N2 S2	P 21 21 21	6.0019; 9.123; 34.23 90; 90; 90	1874.3	Dufresne, Stéphane; Pérez Guarìn, Sergio Andrés; Bolduc, Andréanne; Bourque, Alex N.; Skene, W. G. Conjugated fluorene-thiophenes prepared from azomethine connections. Part I. The effect of electronic and aryl groups on the spectroscopic and electrochemical properties. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2009, 8, 796-804
1515959	CIF	C42 H42 Co2 N11 O14.5	P -1	11.9774; 13.4851; 14.5529 81.9962; 71.1326; 88.4819	2202.14	Howard-Jones, Annaleise R; Adam, Virgile; Cowley, Andrew; Baldwin, Jack E.; Bourgeois, Dominique Cryophotolysis of a caged oxygen compound for use in low temperature biological studies. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2009, 8, 1150-1156
1515960	CIF	Eu H70 Na9 O71 W10	P -1	12.782; 13.109; 20.557 82.757; 74.773; 88.94	3296.7	Yan, Yi; Li, Bao; Li, Wen; Li, Haolong; Wu, Lixin Controllable vesicular structure and reversal of a surfactant-encapsulated polyoxometalate complex Soft Matter, 2009, 5, 4047
1515961	CIF	C36 H26 N4 O4	P -1	9.23; 12.017; 14.264 80.136; 84.48; 87.213	1550.7	Kim, Ha Na; Nam, Seong-Won; Swamy, K. M. K.; Jin, Yan; Chen, Xiaoqiang; Kim, Yonugmee; Kim, Sung-Jin; Park, Sungsu; Yoon, Juyoung Rhodamine hydrazone derivatives as Hg2+ selective fluorescent and colorimetric chemosensors and their applications to bioimaging and microfluidic system. The Analyst, 2011, 136, 1339-1343
1515962	CIF	C120 H84 N48 Zn12	P n -3 n	18.5474; 18.5474; 18.5474 90; 90; 90	6380.4	Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R. High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites Chemical Science, 2011, 2, 1311
1515963	CIF	C34 H38 N12 O6 Zn3	P 42/n c m	15.55503; 15.55503; 20.0304 90; 90; 90	4846.5	Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R. High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites Chemical Science, 2011, 2, 1311
1515964	CIF	C38 H70 Co3 N12 O18	P 42/n c m	15.4625; 15.4625; 20.0474 90; 90; 90	4793.1	Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R. High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites Chemical Science, 2011, 2, 1311
1515965	CIF	C38 H70 Cu3 N12 O18	P m -3 m	18.80701; 18.80701; 18.80701 90; 90; 90	6652.1	Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R. High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites Chemical Science, 2011, 2, 1311
1515966	CIF	C33 H50 N12 Ni3 O13	P m -3 m	18.54898; 18.54898; 18.54898 90; 90; 90	6382	Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R. High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites Chemical Science, 2011, 2, 1311
1515967	CIF	C23 H23 N2 O3	P 1 21/c 1	12.0405; 17.1549; 10.0631 90; 90.406; 90	2078.52	Graham, Thomas J. A.; Shields, Jason D.; Doyle, Abigail G. Transition metal-catalyzed cross coupling with N-acyliminium ions derived from quinolines and isoquinolines Chemical Science, 2011, 2, 980
1515968	CIF	C52 H82 N4 O23	C 1 2 1	19.723; 18.459; 17.842 90; 112.245; 90	6012	Zhang, Jie; Guo, Dong-Sheng; Wang, Li-Hua; Wang, Zhen; Liu, Yu Supramolecular binary hydrogels from calixarenes and amino acids and their entrapment‒release of model dye molecules Soft Matter, 2011, 7, 1756
1515969	CIF	C22 H38 N10 O17 S	P 1 21/c 1	8.6019; 16.2504; 23.2724 90; 91.1; 90	3252.52	Lloyd, Gareth O.; Steed, Jonathan W. Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator Soft Matter, 2011, 7, 75
1515970	CIF	C11 H11 N5 O3	P 1 21/n 1	10.4699; 5.4899; 20.581 90; 103.507; 90	1150.25	Lloyd, Gareth O.; Steed, Jonathan W. Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator Soft Matter, 2011, 7, 75
1515971	CIF	C22 H23 B F4 N10 O6	P -1	7.5596; 12.6366; 13.7797 100.661; 94.926; 96.37	1277.98	Lloyd, Gareth O.; Steed, Jonathan W. Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator Soft Matter, 2011, 7, 75
1515972	CIF	C11 H14 B F4 N5 O4	P -1	7.7509; 8.2203; 13.2848 94.481; 104.643; 110.579	753.55	Lloyd, Gareth O.; Steed, Jonathan W. Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator Soft Matter, 2011, 7, 75
1515973	CIF	C9 H15 N3 O2	P 1 21/c 1	9.818; 9.6472; 11.6088 90; 106.908; 90	1052.01	Lloyd, Gareth O.; Steed, Jonathan W. Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator Soft Matter, 2011, 7, 75
1515974	CIF	C11.5 H14 Cl N5 O4	P -1	7.557; 14.027; 15.689 70.74; 77.71; 87.03	1534	Lloyd, Gareth O.; Steed, Jonathan W. Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator Soft Matter, 2011, 7, 75
1515975	CIF	C12 H16 N6 O7	P 1 21/c 1	7.6261; 25.9299; 16.0689 90; 98.908; 90	3139.2	Lloyd, Gareth O.; Steed, Jonathan W. Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator Soft Matter, 2011, 7, 75
1515976	CIF	C21 H32 O4	P 1 21 1	6.0539; 11.5542; 13.5149 90; 102.108; 90	924.31	Kumar, Chebolu Naga Sesha Sai Pavan; Chein, Rong-Jie Synthesis of labdane diterpenes galanal a and B from (+)-sclareolide. Organic letters, 2014, 16, 2990-2992
1515977	CIF	C18 H23 N O5	P 21 21 21	8.9976; 10.8156; 16.5526 90; 90; 90	1610.81	Jhuo, Dai-Huei; Hong, Bor-Cherng; Chang, Chun-Wei; Lee, Gene-Hsiang One-pot organocatalytic enantioselective Michael-Michael-aldol-Henry reaction cascade. A facile entry to the steroid system with six contiguous stereogenic centers. Organic letters, 2014, 16, 2724-2727
1515978	CIF	C18 H22 Br N O5	P 21 21 2	18.9352; 29.3697; 6.2956 90; 90; 90	3501.1	Jhuo, Dai-Huei; Hong, Bor-Cherng; Chang, Chun-Wei; Lee, Gene-Hsiang One-pot organocatalytic enantioselective Michael-Michael-aldol-Henry reaction cascade. A facile entry to the steroid system with six contiguous stereogenic centers. Organic letters, 2014, 16, 2724-2727
1515979	CIF	C14 H19 N O4	P 21 21 21	7.3853; 10.1226; 17.8638 90; 90; 90	1335.47	Jhuo, Dai-Huei; Hong, Bor-Cherng; Chang, Chun-Wei; Lee, Gene-Hsiang One-pot organocatalytic enantioselective Michael-Michael-aldol-Henry reaction cascade. A facile entry to the steroid system with six contiguous stereogenic centers. Organic letters, 2014, 16, 2724-2727
1515980	CIF	C36 H44 N4 O4	P c a 21	25.739; 9.667; 12.857 90; 90; 90	3199	Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D. Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles. Organic letters, 2014, 16, 2764-2767
1515981	CIF	C44 H42 N2 O8 S2	P -1	12.114; 12.234; 14.573 107.079; 98.454; 105.459	1929.4	Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D. Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles. Organic letters, 2014, 16, 2764-2767
1515982	CIF	C44 H45 N3 O6 S2	P 1 21/c 1	13.658; 11.024; 26.112 90; 100.241; 90	3869	Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D. Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles. Organic letters, 2014, 16, 2764-2767
1515983	CIF	C36 H44 N4 O4	P b c a	12.802; 19.593; 25.555 90; 90; 90	6410	Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D. Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles. Organic letters, 2014, 16, 2764-2767
1515984	CIF	C40 H46 N2 O8 S2	P b c a	29.124; 8.811; 29.171 90; 90; 90	7486	Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D. Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles. Organic letters, 2014, 16, 2764-2767
1515985	CIF	C43 H40 N2 O8 S2	P 1 21/c 1	13.109; 14.562; 19.787 90; 98.818; 90	3733	Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D. Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles. Organic letters, 2014, 16, 2764-2767
1515986	CIF	C48 H52 N4 O8 S2	P 1 21/c 1	9.393; 29.532; 15.825 90; 99.223; 90	4333	Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D. Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles. Organic letters, 2014, 16, 2764-2767
1515987	CIF	C44 H49 N2 O7 S2	P -1	10.515; 13.39; 15.724 84.427; 72.768; 67.283	1950.1	Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D. Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles. Organic letters, 2014, 16, 2764-2767
1515988	CIF	C36 H36 N4 O4	P b c a	10.915; 10.002; 27.209 90; 90; 90	2970.5	Culf, Adrian S.; Cuperlović-Culf, Miroslava; Léger, Daniel A; Decken, Andreas Small Head-to-Tail Macrocyclic α-Peptoids. Organic letters, 2014, 16, 2780-2783
1515989	CIF	C36 H36 N4 O4	P 1 21/c 1	17.232; 5.508; 17.915 90; 114.836; 90	1543.1	Culf, Adrian S.; Cuperlović-Culf, Miroslava; Léger, Daniel A; Decken, Andreas Small Head-to-Tail Macrocyclic α-Peptoids. Organic letters, 2014, 16, 2780-2783
1515990	CIF	C27 H27 N3 O3	P c a 21	17.384; 9.096; 28.177 90; 90; 90	4455	Culf, Adrian S.; Cuperlović-Culf, Miroslava; Léger, Daniel A; Decken, Andreas Small Head-to-Tail Macrocyclic α-Peptoids. Organic letters, 2014, 16, 2780-2783
1515991	CIF	C45.5 H45.5 Cl1.5 N5 O5	C 1 2/c 1	24.448; 13.284; 27.047 90; 102.463; 90	8577	Culf, Adrian S.; Cuperlović-Culf, Miroslava; Léger, Daniel A; Decken, Andreas Small Head-to-Tail Macrocyclic α-Peptoids. Organic letters, 2014, 16, 2780-2783
1515992	CIF	C46 H52 N4 O18	P 64	19.5118; 19.5118; 12.0531 90; 90; 120	3973.97	Zhang, Juanli; Qian, Zhengyi; Wu, Xingkang; Ding, Yanjiao; Li, Jianfang; Lu, Chunhua; Shen, Yuemao Juanlimycins A and B, Ansamycin Macrodilactams from Streptomyces sp. Organic letters, 2014, 16, 2752-2755
1515993	CIF	C29 H20 O	I 1 2/a 1	24.2504; 8.1885; 21.5299 90; 110.491; 90	4004.78	Pal, Rumpa; Mukherjee, Somnath; Chandrasekhar, S.; Guru Row, T. N. Exploring cyclopentadienone antiaromaticity: charge density studies of various tetracyclones. The journal of physical chemistry. A, 2014, 118, 3479-3489
1515994	CIF	C17 H16 N2 O3 S2	P 1 21/n 1	10.7362; 14.1883; 12.3716 90; 108.855; 90	1783.42	Li, Yiming; Pu, Jiahua; Jiang, Xuefeng A highly efficient cu-catalyzed s-transfer reaction: from amine to sulfide. Organic letters, 2014, 16, 2692-2695
1515995	CIF	Li2 O3 Ti	C 1 2/c 1	5.041; 8.806; 9.727 90; 100.008; 90	425.2	Dorrian, J F; Newnham, R E Refinement of the structure of Li~2~ Ti O~3~ Materials Research Bulletin, 1969, 4, 179-184
1515996	CIF	C66 H72 N12	F 41 3 2	24.242; 24.242; 24.242 90; 90; 90	14246	Pyzer-Knapp, Edward O.; Thompson, Hugh P. G.; Schiffmann, Florian; Jelfs, Kim E.; Chong, Samantha Y.; Little, Marc A.; Cooper, Andrew I.; Day, Graeme M. Predicted crystal energy landscapes of porous organic cages Chemical Science, 2014, 5, 2235
1515997	CIF	C56 H56 B Cl Co F4 N4 P4	C 1 2/c 1	34.2939; 12.9425; 28.6361 90; 121.872; 90	10793.8	Jacobsen, George M.; Yang, Jenny Y.; Twamley, Brendan; Wilson, Aaron D.; Bullock, R. Morris; Rakowski DuBois, M.; DuBois, Daniel L. Hydrogen production using cobalt-based molecular catalysts containing a proton relay in the second coordination sphere Energy & Environmental Science, 2008, 1, 167
1515998	CIF	C34 H37 B2 Co F8 N5 P2	P 1 21/n 1	10.0584; 20.1715; 17.605 90; 93.102; 90	3566.7	Jacobsen, George M.; Yang, Jenny Y.; Twamley, Brendan; Wilson, Aaron D.; Bullock, R. Morris; Rakowski DuBois, M.; DuBois, Daniel L. Hydrogen production using cobalt-based molecular catalysts containing a proton relay in the second coordination sphere Energy & Environmental Science, 2008, 1, 167
1515999	CIF	C61 H48 Cl Fe O3 P2 Rh	P 1	9.356; 10.965; 12.863 75.982; 74.937; 78.025	1221.5	Tanaka, Kenichi; Kinbara, Kazushi Toward autonomously operating molecular machines driven by transition-metal catalyst. Molecular bioSystems, 2008, 4, 512-514
1516000	CIF	C20 H21 N O2	P 1 21 1	12.219; 6.766; 20.899 90; 105.443; 90	1665.4	Solomon, Marissa; Sivaguru, J.; Jockusch, Steffen; Adam, Waldemar; Turro, Nicholas J. Vibrational deactivation of singlet oxygen: does it play a role in stereoselectivity during photooxygenation? Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2008, 7, 531-533
1516001	CIF	C21 H22 N2 O3	P 1 21/c 1	16.102; 10.7697; 10.9403 90; 101.787; 90	1857.2	Kong, Feng-Feng; Zhai, Bao-Chang; Song, Qin-Hua Substituent effects on the regioselectivity of the Paternò-Büchi reaction of 5- or/and 6-methyl substituted uracils with 4,4'-disubstituted benzophenones. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2008, 7, 1332-1336
1516002	CIF	C21 H22 N2 O3	P -1	7.7039; 9.868; 12.6926 105.832; 93.959; 96.639	917	Kong, Feng-Feng; Zhai, Bao-Chang; Song, Qin-Hua Substituent effects on the regioselectivity of the Paternò-Büchi reaction of 5- or/and 6-methyl substituted uracils with 4,4'-disubstituted benzophenones. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2008, 7, 1332-1336
1516003	CIF	C10 H17 N5 O6	P 21 21 21	7.1785; 10.0813; 17.096 90; 90; 90	1237.2	Clinch, Keith; Watt, Derek K.; Dixon, Rachel A.; Baars, Sylvia M.; Gainsford, Graeme J.; Tiwari, Ashish; Schwarz, Günter; Saotome, Yas; Storek, Michael; Belaidi, Abdel A.; Santamaria-Araujo, Jose A Synthesis of cyclic pyranopterin monophosphate, a biosynthetic intermediate in the molybdenum cofactor pathway. Journal of medicinal chemistry, 2013, 56, 1730-1738
1516004	CIF	C20 H22 O7	P 21 21 21	7.436; 10.803; 21.663 90; 90; 90	1740.2	Bautista, Elihú; Toscano, Alfredo; Calzada, Fernando; Díaz, Eduardo; Yépez-Mulia, Lilian; Ortega, Alfredo Hydroxyclerodanes from Salvia shannoni. Journal of natural products, 2013, 76, 1970-1975
1516005	CIF	C20 H20 O8	P 21 21 21	7.47; 8.2128; 28.215 90; 90; 90	1731	Bautista, Elihú; Toscano, Alfredo; Calzada, Fernando; Díaz, Eduardo; Yépez-Mulia, Lilian; Ortega, Alfredo Hydroxyclerodanes from Salvia shannoni. Journal of natural products, 2013, 76, 1970-1975
1516006	CIF	C29 H30 N4 O7	P 21 21 21	9.581; 10.936; 26.3804 90; 90; 90	2764.08	Peng, Jixing; Lin, Tao; Wang, Wei; Xin, Zhihong; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai Antiviral alkaloids produced by the mangrove-derived fungus Cladosporium sp. PJX-41. Journal of natural products, 2013, 76, 1133-1140
1516007	CIF	C28 H31 N5 O5	P 21 21 21	12.4363; 13.6529; 15.6264 90; 90; 90	2653.23	Peng, Jixing; Lin, Tao; Wang, Wei; Xin, Zhihong; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai Antiviral alkaloids produced by the mangrove-derived fungus Cladosporium sp. PJX-41. Journal of natural products, 2013, 76, 1133-1140
1516008	CIF	C23 H22 N4 O4	P 1 21 1	10.8171; 6.2921; 15.093 90; 96.093; 90	1021.46	Peng, Jixing; Lin, Tao; Wang, Wei; Xin, Zhihong; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai Antiviral alkaloids produced by the mangrove-derived fungus Cladosporium sp. PJX-41. Journal of natural products, 2013, 76, 1133-1140
1516009	CIF	C15 H20 O5	P 21 21 21	7.2956; 10.729; 18.181 90; 90; 90	1423.1	Liu, Yue; Ma, JiangHao; Zhao, Qian; Liao, ChunRu; Ding, LiQin; Chen, LiXia; Zhao, Feng; Qiu, Feng Guaiane-type sesquiterpenes from Curcuma phaeocaulis and their inhibitory effects on nitric oxide production. Journal of natural products, 2013, 76, 1150-1156
1516010	CIF	C15 H21 O3	P 21 21 21	9.003; 8.28; 18.182 90; 90; 90	1355.4	Zhang, Yan; Liu, Yun-Bao; Li, Yong; Ma, Shuang-Gang; Li, Li; Qu, Jing; Zhang, Dan; Chen, Xiao-Guang; Jiang, Jian-Dong; Yu, Shi-Shan Sesquiterpenes and alkaloids from the roots of Alangium chinense. Journal of natural products, 2013, 76, 1058-1063
1516011	CIF	C20 H32 O4	I 4	20.0401; 20.0401; 9.4689 90; 90; 90	3802.8	Wu, Xing-De; He, Juan; Li, Xing-Yao; Dong, Liao-Bin; Gong, Xun; Song, Liu-Dong; Li, Yan; Peng, Li-Yan; Zhao, Qin-Shi Diterpenoids from the twigs and leaves of Fokienia hodginsii. Journal of natural products, 2013, 76, 1032-1038
1516012	CIF	C20 H32 O2	P 21 21 21	8.314; 10.5467; 20.9187 90; 90; 90	1834.26	Wu, Xing-De; He, Juan; Li, Xing-Yao; Dong, Liao-Bin; Gong, Xun; Song, Liu-Dong; Li, Yan; Peng, Li-Yan; Zhao, Qin-Shi Diterpenoids from the twigs and leaves of Fokienia hodginsii. Journal of natural products, 2013, 76, 1032-1038
1516013	CIF	C26 H34 O7	P 21 21 21	8.063; 14.9648; 20.7157 90; 90; 90	2499.58	Zhang, Yao; Wang, Jun-Song; Wei, Dan-Dan; Gu, Yu-Cheng; Wang, Xiao-Bing; Kong, Ling-Yi Bioactive terpenoids from the fruits of Aphanamixis grandifolia. Journal of natural products, 2013, 76, 1191-1195
1516014	CIF	C28 H38 O9	P 21 21 21	6.4698; 15.2985; 26.1064 90; 90; 90	2583.97	Zhang, Yao; Wang, Jun-Song; Wei, Dan-Dan; Gu, Yu-Cheng; Wang, Xiao-Bing; Kong, Ling-Yi Bioactive terpenoids from the fruits of Aphanamixis grandifolia. Journal of natural products, 2013, 76, 1191-1195
1516015	CIF	C68 H72 N2 O4	P -1	10.3183; 17.5597; 17.9247 118.281; 100.373; 94.895	2758.18	Cardinaels, Thomas; Ramaekers, Jan; Nockemann, Peter; Driesen, Kris; Van Hecke, Kristof; Van Meervelt, Luc; Wang, Guojie; De Feyter, Steven; Iglesias, Eva Fernandez; Guillon, Daniel; Donnio, Bertrand; Binnemans, Koen; Bruce, Duncan W. Rigid tetracatenar liquid crystals derived from 1,10-phenanthroline Soft Matter, 2008, 4, 2172
1516016	CIF	C5 H12 Cl N O2 S	P 21 21 21	5.1687; 8.202; 21.516 90; 90; 90	912.14	Defonsi Lestard, M. E.; Díaz, S B; Puiatti, M.; Echeverría, G A; Piro, O. E.; Pierini, A. B.; Ben Altabef, A.; Tuttolomondo, M. E. Vibrational and structural behavior of (L)-cysteine ethyl ester hydrochloride in the solid state and in aqueous solution. The journal of physical chemistry. A, 2013, 117, 14243-14252
1516017	CIF	C8 H3.33333 N6 O2.66667	P 1 21/c 1	5.59928; 24.2233; 19.9883 90; 91.9071; 90	2709.57	Sakai, Ken-ichi; Nagahara, Kenta; Yoshii, Yuuya; Hoshino, Norihisa; Akutagawa, Tomoyuki Structural and spectroscopic study of 6,7-dicyano-substituted lumazine with high electron affinity and proton acidity. The journal of physical chemistry. A, 2013, 117, 3614-3624
1516018	CIF	C19 H30 N4 O7 S2	P 1 21 1	5.04229; 18.3451; 12.8083 90; 97.227; 90	1175.37	Li, Fee; Bravo-Rodriguez, Kenny; Phillips, Charlotte; Seidel, Rüdiger W; Wieberneit, Florian; Stoll, Raphael; Doltsinis, Nikos L.; Sanchez-Garcia, Elsa; Sander, Wolfram Conformation and dynamics of a cyclic disulfide-bridged peptide: effects of temperature and solvent. The journal of physical chemistry. B, 2013, 117, 3560-3570
1516019	CIF	B9 Ba Li O15	R 3 c :H	10.973; 10.973; 17.049 90; 90; 120	1777.8	Reshak, A. H.; Chen, Xuean; Auluck, S.; Kamarudin, H.; Chyský, Jan; Wojciechowski, A.; Kityk, I. V. Linear and nonlinear optical susceptibilities and the hyperpolarizability of borate LiBaB9O15 single-crystal: theory and experiment. The journal of physical chemistry. B, 2013, 117, 14141-14150
1516020	CIF	C36 H60 O12	P 1 21 1	15.2751; 8.0457; 15.9079 90; 116.395; 90	1751.25	Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang Dammarane-Type Triterpenoids from Gentianella azurea. Journal of natural products, 2014, 77, 1201
1516021	CIF	C36.5 H63 O12	P 21 21 21	7.3172; 23.8986; 40.6627 90; 90; 90	7110.72	Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang Dammarane-Type Triterpenoids from Gentianella azurea. Journal of natural products, 2014, 77, 1201
1516022	CIF	C36.5 H68 O15.5	P 1	7.1558; 12.8203; 21.033 85.657; 88.636; 77.863	1880.95	Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang Dammarane-Type Triterpenoids from Gentianella azurea. Journal of natural products, 2014, 77, 1201
1516023	CIF	C32 H60 O10	P 21 21 2	11.2093; 38.8302; 7.2838 90; 90; 90	3170.34	Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang Dammarane-Type Triterpenoids from Gentianella azurea. Journal of natural products, 2014, 77, 1201
1516024	CIF	C36 H58 O10	P 1 21 1	15.2138; 8.0132; 16.3249 90; 116.964; 90	1773.84	Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang Dammarane-Type Triterpenoids from Gentianella azurea. Journal of natural products, 2014, 77, 1201
1516025	CIF	C63 H54 B2 Cl3 F4 N6	P -1	12.421; 14.0537; 17.9628 66.48; 79.82; 80.77	2815.8	Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi Synthesis of Diazo-Bridged BODIPY Dimer and Tetramer by Oxidative Coupling of β-Amino-Substituted BODIPYs. Organic letters, 2014, 16, 3004-3007
1516026	CIF	C25 H24 N2 P2	P 1 21/n 1	14.493; 10.329; 15.392 90; 109.523; 90	2171.68	Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J. A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation Catalysis Science & Technology, 2014, 4, 2574
1516027	CIF	C32 H38 N2 P2	P -1	10.216; 10.318; 14.379 79.664; 76.635; 71.842	1391.7	Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J. A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation Catalysis Science & Technology, 2014, 4, 2574
1516028	CIF	C30 H31 N O P2	P 1 21/n 1	8.608; 22.505; 13.765 90; 106.913; 90	2551.3	Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J. A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation Catalysis Science & Technology, 2014, 4, 2574
1516029	CIF	C33.5 H34 Cl5 N O P2 Si Ti	P 1 21 1	11.53; 15.337; 20.85 90; 103.737; 90	3581.6	Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J. A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation Catalysis Science & Technology, 2014, 4, 2574
1516030	CIF	C30 H25 N O P2	P -1	8.701; 10.666; 13.938 70.248; 84.203; 81.578	1202.4	Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J. A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation Catalysis Science & Technology, 2014, 4, 2574
1516031	CIF	C40 H31 Br3 Cu N3 O P	C 1 2/c 1	18.61; 17.503; 46.898 90; 98.136; 90	15122	Zhou, Wen; Wang, Xiaoyong; Hu, Ming; Zhu, Chengcheng; Guo, Zijian A mitochondrion-targeting copper complex exhibits potent cytotoxicity against cisplatin-resistant tumor cells through multiple mechanisms of action Chemical Science, 2014, 5, 2761
1516032	CIF	C48 H33 N3	P 43 21 2	10.6097; 10.6097; 32.495 90; 90; 90	3657.8	Gong, Yongyang; Zhang, Yiren; Yuan, Wang Zhang; Sun, Jing Zhi; Zhang, Yongming D–A Solid Emitter with Crowded and Remarkably Twisted Conformations Exhibiting Multifunctionality and Multicolor Mechanochromism The Journal of Physical Chemistry C, 2014, 118, 10998
1516033	CIF	C25 H24 O4	P 1 21 1	6.0714; 17.224; 19.62 90; 97.108; 90	2036	Kanomata, Kyohei; Toda, Yasunori; Shibata, Yukihiro; Yamanaka, Masahiro; Tsuzuki, Seiji; Gridnev, Ilya D.; Terada, Masahiro Secondary stereocontrolling interactions in chiral Brønsted acid catalysis: study of a Petasis–Ferrier-type rearrangement catalyzed by chiral phosphoric acids Chemical Science, 2014, 5, 3515
1516034	CIF	C29 H31 Cl2 N O6 S	P 1 21 1	11.615; 8.416; 15.096 90; 109.245; 90	1393.2	Kanomata, Kyohei; Toda, Yasunori; Shibata, Yukihiro; Yamanaka, Masahiro; Tsuzuki, Seiji; Gridnev, Ilya D.; Terada, Masahiro Secondary stereocontrolling interactions in chiral Brønsted acid catalysis: study of a Petasis–Ferrier-type rearrangement catalyzed by chiral phosphoric acids Chemical Science, 2014, 5, 3515
1516035	CIF	C220 H300 Au24 S20	P -1	15.9929; 21.5942; 21.8042 66.888; 74.051; 73.462	6524.8	Das, Anindita; Li, Tao; Li, Gao; Nobusada, Katsuyuki; Zeng, Chenjie; Rosi, Nathaniel L.; Jin, Rongchao Crystal structure and electronic properties of a thiolate-protected Au24 nanocluster. Nanoscale, 2014, 6, 6458-6462
1516036	CIF	C13 H9 N3 O6 S	P 1 21/n 1	7.1035; 8.6768; 22.2831 90; 94.802; 90	1368.61	McHugh, Callum J.; Kennedy, Alan R.; Smith, W. Ewen; Graham, Duncan TNT stilbene derivatives as SERRS active species. The Analyst, 2007, 132, 986-988
1516037	CIF	C13 H8 N4 O6	P 21 21 21	7.1622; 9.0664; 20.6429 90; 90; 90	1340.45	McHugh, Callum J.; Kennedy, Alan R.; Smith, W. Ewen; Graham, Duncan TNT stilbene derivatives as SERRS active species. The Analyst, 2007, 132, 986-988
1516038	CIF	C19 H19 N O3	P 1 21 1	9.5594; 5.8786; 29.704 90; 96.345; 90	1659	O'Mahony, John; Karlsson, Bjorn C. G.; Mizaikoff, Boris; Nicholls, Ian A. Correlated theoretical, spectroscopic and X-ray crystallographic studies of a non-covalent molecularly imprinted polymerisation system. The Analyst, 2007, 132, 1161-1168
1516039	CIF	C70 H78 Au3 Cu2 N	P -1	12.158; 16.063; 18.733 64.59; 83.11; 74.52	3184.6	Yip, Sung-Kong; Chan, Chui-Ling; Lam, Wai Han; Cheung, Kung-Kai; Yam, Vivian Wing-Wah Synthesis, structure and luminescence studies of heterometallic gold(I)-copper(I) and -silver(I) alkynyl clusters/aggregates. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2007, 6, 365-371
1516040	CIF	C18 H34 Cr N10 O7 Yb	P 1 21/n 1	13.0556; 12.7471; 18.9654 90; 109.859; 90	2968.5	Lazarides, Theodore; Davies, Graham M.; Adams, Harry; Sabatini, Cristiana; Barigelletti, Francesco; Barbieri, Andrea; Pope, Simon J. A.; Faulkner, Stephen; Ward, Michael D. Ligand-field excited states of hexacyanochromate and hexacyanocobaltate as sensitisers for near-infrared luminescence from Nd(iii) and Yb(iii) in cyanide-bridged d-f assemblies. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2007, 6, 1152-1157
1516041	CIF	C38 H34	P 1 21/n 1	9.5027; 8.2756; 17.7737 90; 98.642; 90	1381.86	Beeby, Andrew; Findlay, Karen S.; Goeta, Andrés E; Porrès, Laurent; Rutter, Simon R.; Thompson, Amber L. Engineering a twist in 9,10-diethynylanthracenes by steric interactions. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2007, 6, 982-986
1516042	CIF	C9 H22 N2 O4	P 1 21/n 1	6.02881; 9.88517; 20.4701 90; 97.8757; 90	1208.43	Hasib-ur-Rahman, Muhammad; Larachi, Faïçal CO2 capture in alkanolamine-RTIL blends via carbamate crystallization: route to efficient regeneration. Environmental science & technology, 2012, 46, 11443-11450
1516043	CIF	C53 H64.5 F12 N5.5 O10 P2	P -1	10.9871; 15.0321; 19.4495 67.41; 87.04; 85.923	2957.3	Xing, Hao; Wei, Peifa; Yan, Xuzhou Supramolecular Side-Chain Poly[2]pseudorotaxanes Formed by Orthogonal Coordination-Driven Self-Assembly and Crown-Ether-Based Host-Guest Interactions. Organic letters, 2014, 16, 2850-2853
1516044	CIF	C117 H122 N4 O2 Zn	P -1	14.274; 16.988; 21.032 67.91; 80.65; 86.6	4662.8	Ota, Kensuke; Tanaka, Takayuki; Osuka, Atsuhiro meso-β Dibenzo[a,g]corannulene-Fused Porphyrins. Organic letters, 2014, 16, 2974-2977
1516045	CIF	C96.89 H88.31 N4 O1.72 Zn	P -1	9.353; 21.838; 38.554 103.231; 90.09; 102.288	7480	Ota, Kensuke; Tanaka, Takayuki; Osuka, Atsuhiro meso-β Dibenzo[a,g]corannulene-Fused Porphyrins. Organic letters, 2014, 16, 2974-2977
1516046	CIF	C96 H98 N4 O2 Zn	P -1	9.7687; 15.6035; 26.497 75.421; 83.382; 87.1181	3881.8	Ota, Kensuke; Tanaka, Takayuki; Osuka, Atsuhiro meso-β Dibenzo[a,g]corannulene-Fused Porphyrins. Organic letters, 2014, 16, 2974-2977
1516047	CIF	C23 H18 O2	P -1	9.661; 9.9907; 10.7602 63.28; 80.45; 70.81	875.9	Chagarovsky, Alexey O.; Budynina, Ekaterina M.; Ivanova, Olga A.; Villemson, Elena V.; Rybakov, Victor B.; Trushkov, Igor V.; Melnikov, Mikhail Ya Reaction of Corey Ylide with α,β-Unsaturated Ketones: Tuning of Chemoselectivity toward Dihydrofuran Synthesis. Organic letters, 2014, 16, 2830-2833
1516048	CIF	C23 H23 N O3	P 1 21/c 1	10.0605; 10.1253; 19.2983 90; 91.597; 90	1965.1	Chagarovsky, Alexey O.; Budynina, Ekaterina M.; Ivanova, Olga A.; Villemson, Elena V.; Rybakov, Victor B.; Trushkov, Igor V.; Melnikov, Mikhail Ya Reaction of Corey Ylide with α,β-Unsaturated Ketones: Tuning of Chemoselectivity toward Dihydrofuran Synthesis. Organic letters, 2014, 16, 2830-2833
1516049	CIF	C21 H23 F N2 O	P 1 21/c 1	9.073; 11.096; 19.557 90; 94.205; 90	1963.6	Thirupathi, Nuligonda; Hari Babu, Madala; Dwivedi, Vikas; Kant, Ruchir; Sridhar Reddy, Maddi Palladium-Catalyzed Tandem Intramolecular Oxy/Amino-Palladation/Isocyanide Insertion: Synthesis of α-Benzofuranyl/Indolylacetamides. Organic letters, 2014, 16, 2908-2911
1516050	CIF	C26 H36 N2 O2	P 21 21 21	10.5434; 11.509; 19.6411 90; 90; 90	2383.3	Seo, Min-Seob; Lee, Ansoo; Kim, Hyunwoo 2,2'-dihydroxybenzil: a stereodynamic probe for primary amines controlled by steric strain. Organic letters, 2014, 16, 2950-2953
1516051	CIF	C18 H19.26 N O5.13	P 1 21 1	8.1308; 17.5736; 11.0262 90; 94.94; 90	1569.65	Luo, Zengwei; Wang, Fuqian; Zhang, Jinwen; Li, Xingyao; Zhang, Mengke; Hao, Xincai; Xue, Yongbo; Li, Yan; Horgen, F. David; Yao, Guangmin; Zhang, Yonghui Cytotoxic alkaloids from the whole plants of Zephyranthes candida. Journal of natural products, 2012, 75, 2113-2120
1516052	CIF	C15 H22 O5	P 21 21 21	7.6345; 13.862; 13.927 90; 90; 90	1473.9	Macías, Francisco A; Santana, Alejandro; Yamahata, Azusa; Varela, Rosa M.; Fronczek, Frank R.; Molinillo, José M G Facile preparation of bioactive seco-guaianolides and guaianolides from Artemisia gorgonum and evaluation of their phytotoxicity. Journal of natural products, 2012, 75, 1967-1973
1516053	CIF	C15.8 H19.6 O4.4	P 21 21 21	7.3918; 29.704; 32.1937 90; 90; 90	7068.6	Macías, Francisco A; Santana, Alejandro; Yamahata, Azusa; Varela, Rosa M.; Fronczek, Frank R.; Molinillo, José M G Facile preparation of bioactive seco-guaianolides and guaianolides from Artemisia gorgonum and evaluation of their phytotoxicity. Journal of natural products, 2012, 75, 1967-1973
1516054	CIF	C15 H20 O5	P 21 21 21	9.0581; 9.5429; 15.5537 90; 90; 90	1344.47	Macías, Francisco A; Santana, Alejandro; Yamahata, Azusa; Varela, Rosa M.; Fronczek, Frank R.; Molinillo, José M G Facile preparation of bioactive seco-guaianolides and guaianolides from Artemisia gorgonum and evaluation of their phytotoxicity. Journal of natural products, 2012, 75, 1967-1973
1516055	CIF	C23.5 H21 O9.5	P 1 21 1	10.876; 6.7384; 14.743 90; 92.481; 90	1079.5	Thanh, Van Trinh Thi; Pham, Van Cuong; Mai, Huong Doan Thi; Litaudon, Marc; Guéritte, Françoise; Retailleau, Pascal; Nguyen, Van Hung; Chau, Van Minh Cytotoxic lignans from fruits of Cleistanthus indochinensis: synthesis of cleistantoxin derivatives. Journal of natural products, 2012, 75, 1578-1583
1516057	CIF	C26 H15 Mo O5 P	P 1 21 1	17.039; 6.2992; 21.025 90; 97.831; 90	2235.6	Mao, Yanli; Lim, Kelvin Meng Hui; Ganguly, Rakesh; Mathey, Francois A new route to a 2-phosphanaphthalene. Organic letters, 2012, 14, 4974-4975
1516058	CIF	C26 H16 Cl O6 P W	P 1 21/c 1	18.4823; 9.4251; 15.2278 90; 114.313; 90	2417.38	Mao, Yanli; Lim, Kelvin Meng Hui; Ganguly, Rakesh; Mathey, Francois A new route to a 2-phosphanaphthalene. Organic letters, 2012, 14, 4974-4975
1516059	CIF	C26 H16 Cl O6 P W	P 1 21/n 1	8.1251; 12.1902; 25.1571 90; 90.472; 90	2491.6	Mao, Yanli; Lim, Kelvin Meng Hui; Ganguly, Rakesh; Mathey, Francois A new route to a 2-phosphanaphthalene. Organic letters, 2012, 14, 4974-4975
1516060	CIF	C16 H20 N2 O3	P n a 21	40.076; 5.5575; 13.021 90; 90; 90	2900.1	Hirschhäuser, Christoph; Parker, Jeremy S.; Perry, Matthew W. D.; Haddow, Mairi F.; Gallagher, Timothy Spiro-fused pyrrolidine, piperidine, and oxindole scaffolds from lactams. Organic letters, 2012, 14, 4846-4849
1516061	CIF	C17 H22 N2 O3	P b c a	9.5653; 10.45; 30.655 90; 90; 90	3064.2	Hirschhäuser, Christoph; Parker, Jeremy S.; Perry, Matthew W. D.; Haddow, Mairi F.; Gallagher, Timothy Spiro-fused pyrrolidine, piperidine, and oxindole scaffolds from lactams. Organic letters, 2012, 14, 4846-4849
1516062	CIF	C16 H20 N2 O3	P 1 21/n 1	10.604; 10.38; 13.204 90; 95.551; 90	1446.5	Hirschhäuser, Christoph; Parker, Jeremy S.; Perry, Matthew W. D.; Haddow, Mairi F.; Gallagher, Timothy Spiro-fused pyrrolidine, piperidine, and oxindole scaffolds from lactams. Organic letters, 2012, 14, 4846-4849
1516063	CIF	C12 H12 N2 O2	P 1 21/c 1	6.4277; 10.169; 15.7788 90; 95.698; 90	1026.26	Hirschhäuser, Christoph; Parker, Jeremy S.; Perry, Matthew W. D.; Haddow, Mairi F.; Gallagher, Timothy Spiro-fused pyrrolidine, piperidine, and oxindole scaffolds from lactams. Organic letters, 2012, 14, 4846-4849
1516064	CIF	C15 H19 N O	I b a 2	10.9646; 34.3413; 6.972 90; 90; 90	2625.23	Brawn, Ryan A.; Guimarães, Cristiano R W; McClure, Kim F.; Liras, Spiros An efficient synthesis of bridged heterocycles from an Ir(I) bis-amination/ring-closing metathesis sequence. Organic letters, 2012, 14, 4802-4805
1516066	CIF	C19 H25 N3 O2	P 1 21/c 1	10.5786; 10.5791; 15.5501 90; 104.447; 90	1685.22	Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.; Reekie, Tristan A. Application of a Raney-cobalt-mediated tandem reductive cyclization protocol to total syntheses of the Aspidosperma alkaloids (±)-limaspermidine and (±)-1-acetylaspidoalbidine. Organic letters, 2012, 14, 5621-5623
1516067	CIF	C20 H29 N3 O2	P 1 21/c 1	11.8836; 10.3003; 15.9702 90; 109.242; 90	1845.62	Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.; Reekie, Tristan A. Application of a Raney-cobalt-mediated tandem reductive cyclization protocol to total syntheses of the Aspidosperma alkaloids (±)-limaspermidine and (±)-1-acetylaspidoalbidine. Organic letters, 2012, 14, 5621-5623
1516068	CIF	C19 H26 N2 O	P n a 21	13.7232; 14.9269; 7.6655 90; 90; 90	1570.24	Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.; Reekie, Tristan A. Application of a Raney-cobalt-mediated tandem reductive cyclization protocol to total syntheses of the Aspidosperma alkaloids (±)-limaspermidine and (±)-1-acetylaspidoalbidine. Organic letters, 2012, 14, 5621-5623
1516069	CIF	C21 H38 O4	P 21 21 21	5.2688; 7.4978; 52.786 90; 90; 90	2085.28	Persich, Peter; Kerschbaumer, Julia; Helling, Sandra; Hildmann, Barbara; Wibbeling, Birgit; Haufe, Günter Transannular O-heterocyclization: a useful tool for the total synthesis of Murisolin and 16,19-cis-Murisolin. Organic letters, 2012, 14, 5628-5631
1516074	CIF	C40 H41 N3 O4	P -1	12.3712; 12.5383; 13.3489 102.471; 100.682; 118.295	1677.5	Castellano, Teresa G.; Neo, Ana G.; Marcaccini, Stefano; Marcos, Carlos F. Enols as feasible acid components in the Ugi condensation. Organic letters, 2012, 14, 6218-6221
1516075	CIF	C19 H24 N2 O3	P 21 21 21	7.9485; 12.166; 17.196 90; 90; 90	1662.9	Lancefield, Christopher S.; Zhou, Linna; Lébl, Tomas; Slawin, Alexandra M. Z.; Westwood, Nicholas J. The synthesis of melohenine B and a related natural product. Organic letters, 2012, 14, 6166-6169
1516076	CIF	C20 H22 N2 O6	P 21 21 21	7.1383; 10.9101; 23.798 90; 90; 90	1853.4	Lancefield, Christopher S.; Zhou, Linna; Lébl, Tomas; Slawin, Alexandra M. Z.; Westwood, Nicholas J. The synthesis of melohenine B and a related natural product. Organic letters, 2012, 14, 6166-6169
1516077	CIF	C21 H26 N2 O5	P 61	8.268; 8.268; 48.704 90; 90; 120	2883.3	Lancefield, Christopher S.; Zhou, Linna; Lébl, Tomas; Slawin, Alexandra M. Z.; Westwood, Nicholas J. The synthesis of melohenine B and a related natural product. Organic letters, 2012, 14, 6166-6169
1516078	CIF	C21 H28 N2 O3	P 21 21 21	7.4222; 9.96; 25.642 90; 90; 90	1895.6	Lancefield, Christopher S.; Zhou, Linna; Lébl, Tomas; Slawin, Alexandra M. Z.; Westwood, Nicholas J. The synthesis of melohenine B and a related natural product. Organic letters, 2012, 14, 6166-6169
1516079	CIF	C22 H26 N2 O4	P 21 21 21	7.9567; 12.3012; 20.572 90; 90; 90	2013.5	Lancefield, Christopher S.; Zhou, Linna; Lébl, Tomas; Slawin, Alexandra M. Z.; Westwood, Nicholas J. The synthesis of melohenine B and a related natural product. Organic letters, 2012, 14, 6166-6169
1516081	CIF	C14 H17 B F2 N4	P -1	7.3413; 7.5696; 13.1377 96.128; 99.18; 95.256	712.2	Lee, Ho Yong; Olasz, András; Chen, Chun-Hsing; Lee, Dongwhan Three-stage binary switching of azoaromatic polybase. Organic letters, 2012, 14, 6286-6289
1516082	CIF	C29 H20 N2 O7	P -1	10.6771; 13.0878; 18.3378 83.667; 73.144; 75.898	2376.35	Kelgtermans, Hans; Dobrzańska, Liliana; Van Meervelt, Luc; Dehaen, Wim A fragment-based approach toward substituted trioxa[7]helicenes. Organic letters, 2012, 14, 5200-5203
1516083	CIF	C32 H38 O8	P 1 21/c 1	6.0458; 9.8845; 24.023 90; 95.05; 90	1430	Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core. Organic letters, 2012, 14, 1374-1377
1516084	CIF	C40 H54 O8	P 1 21/c 1	16.6322; 9.1956; 12.1051 90; 98.357; 90	1831.73	Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core. Organic letters, 2012, 14, 1374-1377
1516085	CIF	C26 H24 O8	P 1 21/n 1	5.271; 14.1093; 15.2301 90; 94.765; 90	1128.7	Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core. Organic letters, 2012, 14, 1374-1377
1516086	CIF	C24 H20 O8	P 1 21/c 1	10.8267; 9.5361; 20.2199 90; 97.858; 90	2068	Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core. Organic letters, 2012, 14, 1374-1377
1516087	CIF	C6 H5 Br O3	P 1 21/n 1	10.3165; 4.9709; 14.1637 90; 101.925; 90	710.67	Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core. Organic letters, 2012, 14, 1374-1377
1516088	CIF	C36 H42 O6	C 1 2/c 1	29.11; 9.5418; 22.962 90; 103.062; 90	6212.9	Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core. Organic letters, 2012, 14, 1374-1377
1516089	CIF	C32 H26 O8	P 1 21/c 1	9.5983; 5.4838; 24.21 90; 91.793; 90	1273.7	Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core. Organic letters, 2012, 14, 1374-1377
1516090	CIF	C26 H26 O8	P 1 21/n 1	7.7228; 11.0389; 13.6925 90; 97.28; 90	1157.89	Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core. Organic letters, 2012, 14, 1374-1377
1516091	CIF	C40 H52 O8	P -1	5.7869; 9.9739; 16.9218 87.166; 81.47; 78.248	945.45	Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core. Organic letters, 2012, 14, 1374-1377
1516092	CIF	C12 H12 Br2 O6	P 1 21/n 1	9.6055; 7.7143; 18.8681 90; 93.576; 90	1395.4	Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core. Organic letters, 2012, 14, 1374-1377
1516093	CIF	C40 H54 O12	P -1	5.9676; 9.4094; 17.2733 89.735; 85.714; 85.834	964.7	Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core. Organic letters, 2012, 14, 1374-1377
1516094	CIF	C32 H26 O8	P -1	6.1693; 9.7194; 11.3573 67.533; 80.008; 86.414	619.77	Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core. Organic letters, 2012, 14, 1374-1377
1516095	CIF	C32 H38 O12	P -1	5.946; 10.5168; 12.6676 81.198; 80.39; 81.904	766.41	Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core. Organic letters, 2012, 14, 1374-1377
1516097	CIF	C11 H12 O5	C 1 c 1	10.4253; 12.8651; 8.1381 90; 109.962; 90	1025.92	Barradas, Silvia; Hernández-Torres, Gloria; Urbano, Antonio; Carreño, M Carmen Total synthesis of natural p-quinol cochinchinenone. Organic letters, 2012, 14, 5952-5955
1516099	CIF	C23 H20 N2 O	P 1 21 1	6.4088; 17.279; 8.579 90; 101.67; 90	930.4	Cai, Zhong-Jian; Wang, Shun-Yi; Ji, Shun-Jun CuI/BF3·Et2O cocatalyzed aerobic dehydrogenative reactions of ketones with benzylamines: facile synthesis of substituted imidazoles. Organic letters, 2012, 14, 6068-6071
1516100	CIF	C22 H18 N2	P 1 21/n 1	9.768; 11.392; 15.15 90; 97.216; 90	1672.5	Cai, Zhong-Jian; Wang, Shun-Yi; Ji, Shun-Jun CuI/BF3·Et2O cocatalyzed aerobic dehydrogenative reactions of ketones with benzylamines: facile synthesis of substituted imidazoles. Organic letters, 2012, 14, 6068-6071
1516101	CIF	C20 H18 O5	P 1 21/n 1	16.4332; 5.5136; 18.3321 90; 106.549; 90	1592.2	Truong, Phong; Shanahan, Charles S.; Doyle, Michael P. Divergent stereocontrol of acid catalyzed intramolecular aldol reactions of 2,3,7-triketoesters: synthesis of highly functionalized cyclopentanones. Organic letters, 2012, 14, 3608-3611
1516103	CIF	C18 H24 N2 O	P b c n	18.945; 8.6958; 20.3655 90; 90; 90	3355.1	Zhao, Shu-Bin; Bilodeau, Eric; Lemieux, Valérie; Beauchemin, André M Hydrogen bonding directed intermolecular Cope-type hydroamination of alkenes. Organic letters, 2012, 14, 5082-5085
1516104	CIF	C30 H28 Cl N O4 S	P -1	10.0293; 16.6704; 17.4029 70.567; 76.603; 78.855	2647.7	Hu, Jian; Tian, Bing; Wu, Xinyan; Tong, Xiaofeng Tertiary amine-triggered cascade S(N)2/cycloaddition: an efficient construction of complex azaheterocycles under mild conditions. Organic letters, 2012, 14, 5074-5077
1516105	CIF	C22 H26 N2 O6	P 1 21/n 1	11.618; 12.024; 16.15 90; 110.574; 90	2112.2	Villa, Reymundo A.; Xu, Qihai; Kwon, Ohyun Total synthesis of (±)-hirsutine: application of phosphine-catalyzed imine-allene [4 + 2] annulation. Organic letters, 2012, 14, 4634-4637
1516106	CIF	C13 H15 N O	C 1 2/c 1	14.0539; 11.358; 13.4342 90; 101.523; 90	2101.2	Li, Xiao-Jing; Qiao, Jin-Bao; Sun, Jian; Li, Xue-Qiang; Gu, Peiming Intramolecular Schmidt Reaction of Acyl Chlorides with Alkyl Azides: Capture of N-Acyliminium Ion Intermediates with Aromatic rings. Organic letters, 2014, 16, 2865-2867
1516107	CIF	C19 H33 N O5 S Si	P -1	11.8101; 12.7217; 16.841 72.829; 75.377; 75.493	2296.4	Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M. Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes Chemical Science, 2014, 5, 3046
1516108	CIF	C20 H31 N O6 S Si	P -1	7.248; 12.231; 12.439 87.85; 81.98; 89.975	1091.2	Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M. Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes Chemical Science, 2014, 5, 3046
1516109	CIF	C20 H31 N O6 S Si	P 1 21/n 1	6.9812; 22.209; 14.9476 90; 96.282; 90	2303.6	Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M. Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes Chemical Science, 2014, 5, 3046
1516110	CIF	Cr O2	P 42/m n m	4.41; 4.41; 2.91 90; 90; 90	56.594	Glemser, O.; Hauschild, U.; Truepel, F. Ueber Chromoxyde zwischen Cr2 O3 und Cr O3 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1954, 277, 113-208
1516111	CIF	C46 H48 N2 O Zr	P -1	11.0188; 13.6909; 15.087 64.169; 68.942; 75.522	1899.9	Klet, Rachel C.; Theriault, Curt N.; Klosin, Jerzy; Labinger, Jay A.; Bercaw, John E. Investigations into Asymmetric Post-Metallocene Group 4 Complexes for the Synthesis of Highly Regioirregular Polypropylene Macromolecules, 2014, 47, 3317
1516112	CIF	C36.83 H46.32 Cl2.34 N2 O Ti	P -1	10.387; 15.918; 21.74 76.406; 79.036; 87.948	3429.9	Klet, Rachel C.; Theriault, Curt N.; Klosin, Jerzy; Labinger, Jay A.; Bercaw, John E. Investigations into Asymmetric Post-Metallocene Group 4 Complexes for the Synthesis of Highly Regioirregular Polypropylene Macromolecules, 2014, 47, 3317
1516113	CIF	C11 H12 F N O2	P 1 21/n 1	11.272; 5.8049; 16.158 90; 108.477; 90	1002.8	Lu, Deng-Fu; Liu, Guan-Sai; Zhu, Cheng-Liang; Yuan, Bo; Xu, Hao Iron(II)-Catalyzed Intramolecular Olefin Aminofluorination. Organic letters, 2014, 16, 2912-2915
1516114	CIF	C72 H23 N O8	P -1	10.128; 10.497; 20.664 85.27; 77.477; 78.869	2102.4	Hashikawa, Yoshifumi; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro Synthesis of open-cage ketolactam derivatives of fullerene c60 encapsulating a hydrogen molecule. Organic letters, 2014, 16, 2970-2973
1516115	CIF	C23 H28 N2 O3	P 1 21 1	8.5089; 9.1505; 12.5241 90; 96.049; 90	969.71	Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative. Journal of natural products, 2014, 77, 1532-1535
1516116	CIF	C24 H32 N2 O4	P n a 21	8.6828; 21.4082; 11.2277 90; 90; 90	2087.04	Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative. Journal of natural products, 2014, 77, 1532-1535
1516117	CIF	C23 H28 N2 O3	P 1 21 1	8.4914; 9.1548; 12.4788 90; 95.838; 90	965	Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative. Journal of natural products, 2014, 77, 1532-1535
1516118	CIF	C23 H28 N2 O3	C 1 2/c 1	39.082; 8.588; 24.128 90; 105.802; 90	7792.2	Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative. Journal of natural products, 2014, 77, 1532-1535
1516119	CIF	C23 H28 N2 O3	P 1 21 1	8.5096; 9.1538; 12.5333 90; 96.03; 90	970.882	Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative. Journal of natural products, 2014, 77, 1532-1535
1516120	CIF	B H6 N2 Na	P 1 21/c 1	4.97456; 7.9607; 10.2456 90; 115.166; 90	367.22	Chua, Yong Shen; Pei, Qijun; Ju, Xiaohua; Zhou, Wei; Udovic, Terrence J.; Wu, Guotao; Xiong, Zhitao; Chen, Ping; Wu, Hui Alkali Metal Hydride Modification on Hydrazine Borane for Improved Dehydrogenation The Journal of Physical Chemistry C, 2014, 118, 11244
1516121	CIF	C15 H11 N O3	P -1	5.502; 21.052; 21.138 88.513; 82.982; 85.62	2423	Wu, Xia; Gao, Qinghe; Liu, Shan; Wu, Anxin I2-Catalyzed Oxidative Cross-Coupling of Methyl Ketones and Benzamidines Hydrochloride: A Facile Access to α-Ketoimides. Organic letters, 2014, 16, 2888-2891
1516122	CIF	C58 H36 O4	P -1	12.469; 14.085; 14.436 114.938; 101.497; 98.755	2171.7	Wackerly, Jay Wm; Zhang, Mengfei; Nodder, Stephen T.; Carlin, Stephen M.; Katz, Jeffrey L. Single Step Synthesis of Acetylene-Substituted Oxacalix[4]arenes. Organic letters, 2014, 16, 2920-2922
1516123	CIF	C21 H20 F3 N O2	P -1	6.186; 9.6029; 16.4251 77.495; 80.955; 87.557	940.68	Guo, Chun-Xiao; Zhang, Wen-Zhen; Liu, Si; Lu, Xiao-Bing Cu(i)-catalyzed chemical fixation of CO2 with 2-alkynylaniline into 4-hydroxyquinolin-2(1H)-one Catalysis Science & Technology, 2014, 4, 1570
1516124	CIF	C21 H23 N O2	P -1	7.7051; 10.8189; 11.1726 75.918; 86.59; 87.802	901.49	Guo, Chun-Xiao; Zhang, Wen-Zhen; Liu, Si; Lu, Xiao-Bing Cu(i)-catalyzed chemical fixation of CO2 with 2-alkynylaniline into 4-hydroxyquinolin-2(1H)-one Catalysis Science & Technology, 2014, 4, 1570
1516125	CIF	C31 H39 N5 O8 S2 Zn	P 1 21/c 1	21.5392; 14.9764; 11.0367 90; 102.006; 90	3482.3	Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W. Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates Catalysis Science & Technology, 2014, 4, 1615
1516126	CIF	C30 H40 I N3 O4 Zn	P 1 21/c 1	20.7881; 19.8405; 7.4304 90; 97.665; 90	3037.3	Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W. Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates Catalysis Science & Technology, 2014, 4, 1615
1516127	CIF	C46 H64 Cl6 N6 O7 Zn	P -1	11.5808; 12.8843; 18.9944 78.363; 87.683; 87.378	2771.6	Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W. Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates Catalysis Science & Technology, 2014, 4, 1615
1516128	CIF	C92 H126 Cl3 Cr2 Li N2 O5	P 31 2 1	18.945; 18.945; 25.39 90; 90; 120	7892	Chen, Hua; Dawe, Louise N.; Kozak, Christopher M. Chromium(iii) amine-bis(phenolate) complexes as catalysts for copolymerization of cyclohexene oxide and CO2 Catalysis Science & Technology, 2014, 4, 1547
1516129	CIF	C37 H34 N2 O6 S2	P 1 21/c 1	17.511; 10.814; 23.711 90; 130.536; 90	3412.4	Nayak, Sanatan; Ghosh, Nayan; Sahoo, Akhila K. Access to Cyclobutene-Fused Azepines through Au-Catalyzed Cycloisomerization of Stable Alkyne Tethered Ketene N,N-Acetals. Organic letters, 2014, 16, 2996-2999
1516130	CIF	C39 H32 N4 O6 S2	A b a 2	15.0516; 28.646; 18.0316 90; 90; 90	7774.7	Nayak, Sanatan; Ghosh, Nayan; Sahoo, Akhila K. Access to Cyclobutene-Fused Azepines through Au-Catalyzed Cycloisomerization of Stable Alkyne Tethered Ketene N,N-Acetals. Organic letters, 2014, 16, 2996-2999
1516131	CIF	C39 H38 N2 O8 S2	P -1	8.7849; 12.6893; 16.278 85.618; 79.626; 82.116	1765.6	Nayak, Sanatan; Ghosh, Nayan; Sahoo, Akhila K. Access to Cyclobutene-Fused Azepines through Au-Catalyzed Cycloisomerization of Stable Alkyne Tethered Ketene N,N-Acetals. Organic letters, 2014, 16, 2996-2999
1516132	CIF	C19 H14 Br N2 O0.5 S	C 1 2/c 1	11.406; 14.522; 20.97 90; 104.457; 90	3363.4	Ravi, Chitrakar; Chandra Mohan, Darapaneni; Adimurthy, Subbarayappa N-chlorosuccinimide-promoted regioselective sulfenylation of imidazoheterocycles at room temperature. Organic letters, 2014, 16, 2978-2981
1516133	CIF	C20 H4 Br4 Cl4	P c a 21	7.4442; 27.2175; 19.194 90; 90; 90	3888.9	Zagranyarski, Yulian; Chen, Long; Jänsch, Daniel; Gessner, Thomas; Li, Chen; Müllen, Klaus Toward perylene dyes by the hundsdiecker reaction. Organic letters, 2014, 16, 2814-2817
1516134	CIF	C19 H27 N O2 S Si	P 1 21 1	9.154; 16.606; 13.184 90; 91.919; 90	2003	Mita, Tsuyoshi; Sugawara, Masumi; Saito, Keisuke; Sato, Yoshihiro Catalytic Enantioselective Silylation of N-Sulfonylimines: Asymmetric Synthesis of α-Amino Acids from CO2 via Stereospecific Carboxylation of α-Amino Silanes. Organic letters, 2014, 16, 3028-3031
1516135	CIF	C14 H25 N O2 S Sn	P 1 21 1	11.1188; 10.5531; 15.6491 90; 110.738; 90	1717.26	Mita, Tsuyoshi; Sugawara, Masumi; Saito, Keisuke; Sato, Yoshihiro Catalytic Enantioselective Silylation of N-Sulfonylimines: Asymmetric Synthesis of α-Amino Acids from CO2 via Stereospecific Carboxylation of α-Amino Silanes. Organic letters, 2014, 16, 3028-3031
1516136	CIF	C78 H64 Cl2 O2 P4 Rh2	C 1 2/m 1	29.9133; 18.7802; 19.2461 90; 114.861; 90	9810.1	Meißner, Antje; Alberico, Elisabetta; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef Rhodium diphosphine complexes: a case study for catalyst activation and deactivation Catal. Sci. Technol., 2014, 4, 3409
1516137	CIF	C50 H47 Cl O2 P2 Rh	P -1	10.1367; 10.1518; 21.075 93.865; 102.017; 108.917	1985.2	Meißner, Antje; Alberico, Elisabetta; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef Rhodium diphosphine complexes: a case study for catalyst activation and deactivation Catal. Sci. Technol., 2014, 4, 3409
1516138	CIF	C20 H25 Cl F3 Ir N4 O3 S	P 1 21/n 1	8.92686; 16.30625; 16.1629 90; 99.0197; 90	2323.64	Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316
1516139	CIF	C26 H32 Cl F6 Ir N4 O0.5 P	P 1 21 1	8.6499; 30.9257; 11.9013 90; 95.343; 90	3169.82	Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316
1516140	CIF	C48 H47.38 B Cl Ir N4 O0.19	P b c a	16.815; 17.575; 28.6833 90; 90; 90	8476.59	Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316
1516141	CIF	C20 H25 Cl F3 Ir N4 O3 S	P -1	8.1397; 12.0802; 12.1711 93.308; 98.055; 96.258	1174.66	Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316
1516142	CIF	C24 H30 F6 Ir N5 O6 S2	P -1	9.9198; 12.2357; 14.1911 88.964; 72.328; 67.558	1507.5	Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316
1516143	CIF	C32 H38 F6 Ir N5 O7 S2	P 1 21/c 1	24.2752; 11.5628; 27.0877 90; 101.757; 90	7443.72	Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316
1516144	CIF	C28 H30 F6 Ir N5 O6 S2	P 1 21/n 1	15.4068; 12.8634; 17.5263 90; 103.099; 90	3383.05	Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316
1516145	CIF	C25 H27 Cl F3 Ir N4 O3 S	P 1 21/n 1	12.3897; 16.3148; 14.676 90; 114.395; 90	2701.69	Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316
1516146	CIF	C30 H35 F6 Ir N8 O6 S2	P 1 21/c 1	17.0427; 12.0904; 18.0154 90; 108.807; 90	3513.9	Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316
1516147	CIF	C7 H9 Br O2	P 32	17.8119; 17.8119; 6.2589 90; 90; 120	1719.7	Zipfel, Hannes F.; Carreira, Erick M. An efficient synthesis strategy to the core structure of 6-5-6-5-6-membered epipolythiodiketopiperazines. Organic letters, 2014, 16, 2854-2857
1516148	CIF	C21 H24 N2 O4 S	P 1 21 1	11.639; 5.5765; 15.5447 90; 106.278; 90	968.48	Zipfel, Hannes F.; Carreira, Erick M. An efficient synthesis strategy to the core structure of 6-5-6-5-6-membered epipolythiodiketopiperazines. Organic letters, 2014, 16, 2854-2857
1516149	CIF	C32.5 H31 Cl N2 O6	C 1 2 1	43.265; 15.0547; 10.2366 90; 93.976; 90	6651.5	Zipfel, Hannes F.; Carreira, Erick M. An efficient synthesis strategy to the core structure of 6-5-6-5-6-membered epipolythiodiketopiperazines. Organic letters, 2014, 16, 2854-2857
1516150	CIF	C23 H24 O3 S	P 21 21 21	6.5465; 7.844; 38.945 90; 90; 90	1999.9	Ohmatsu, Kohsuke; Hara, Yoshiyuki; Ooi, Takashi In situ generation of ion-paired chiral ligands: rapid identification of the optimal ligand for palladium-catalyzed asymmetric allylation Chemical Science, 2014, 5, 3645
1516151	CIF	C46 H46 Mg O4	C 1 2/c 1	19.0981; 9.6221; 22.024 90; 109.389; 90	3817.7	Wang, Yang; Liu, Bo; Wang, Xue; Zhao, Wei; Liu, Dongtao; Liu, Xinli; Cui, Dongmei Immortal ring-opening polymerization of ε-caprolactone by a neat magnesium catalyst system: an approach to obtain block and amphiphilic star polymers in situ Polymer Chemistry, 2014, 5, 4580
1516152	CIF	C16 H13 Br O3	P 1 21 1	7.952; 12.184; 14.721 90; 92.596; 90	1424.8	Fu, Liangbing; Wang, Hengbin; Davies, Huw M. L. Role of Ortho-Substituents on Rhodium-Catalyzed Asymmetric Synthesis of β-Lactones by Intramolecular C-H Insertions of Aryldiazoacetates. Organic letters, 2014, 16, 3036-3039
1516153	CIF	C11 H11 Br O3	P 21 21 21	12.06; 12.066; 14.641 90; 90; 90	2130.5	Fu, Liangbing; Wang, Hengbin; Davies, Huw M. L. Role of Ortho-Substituents on Rhodium-Catalyzed Asymmetric Synthesis of β-Lactones by Intramolecular C-H Insertions of Aryldiazoacetates. Organic letters, 2014, 16, 3036-3039
1516154	CIF	C10 H9 Br O3	P 1 21 1	6.2085; 5.3383; 15.239 90; 95.715; 90	502.6	Fu, Liangbing; Wang, Hengbin; Davies, Huw M. L. Role of Ortho-Substituents on Rhodium-Catalyzed Asymmetric Synthesis of β-Lactones by Intramolecular C-H Insertions of Aryldiazoacetates. Organic letters, 2014, 16, 3036-3039
1516155	CIF	C24 H46 Al4 N2 O2	P -1	7.361; 10.0951; 10.6561 103.037; 95.097; 96.205	761.67	Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide) Catalysis Science & Technology, 2014, 4, 3025
1516156	CIF	C22 H38 Al4 N2 O2	P 1 21/n 1	8.751; 15.3173; 10.1026 90; 90.1329; 90	1354.17	Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide) Catalysis Science & Technology, 2014, 4, 3025
1516157	CIF	C31 H54 Al4 N2 O2	P 1 21/n 1	7.1092; 21.245; 12.33 90; 92.839; 90	1859.98	Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide) Catalysis Science & Technology, 2014, 4, 3025
1516158	CIF	C24 H10 Br2 F8 N4	C 1 2/c 1	28.893; 5.2362; 17.648 90; 118.696; 90	2342	Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158
1516159	CIF	C22 H8 Br2 F8 N6	C 1 2/c 1	36.953; 5.2778; 11.5441 90; 90.529; 90	2251.4	Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158
1516160	CIF	C24 H10 F8 I2 N4	C 1 2/c 1	29.154; 5.2244; 18.283 90; 120.726; 90	2393.8	Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158
1516161	CIF	C22 H8 F8 I2 N6	C 1 2/c 1	28.722; 5.1901; 18.22 90; 120.623; 90	2337.3	Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158
1516162	CIF	C24 H10 F8 I2 N4	C 1 2/c 1	40.225; 5.8436; 25.726 90; 123.647; 90	5034	Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158
1516163	CIF	C24 H10 Br2 F8 N4	P -1	6.0828; 8.3133; 12.157 70.137; 84.722; 79.999	569.04	Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158
1516164	CIF	C22 H8 Br2 F8 N6	P -1	5.9081; 8.3193; 23.198 94.956; 93.481; 95.848	1127.25	Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158
1516165	CIF	C24 H10 F8 I2 N4	P -1	5.8317; 8.5364; 23.47 95.753; 96.748; 95.828	1146.8	Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158
1516166	CIF	C22 H8 F8 I2 N6	P -1	5.8475; 8.445; 23.132 94.99; 95.779; 96.339	1124	Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158
1516167	CIF	C24 H10 F8 I2 N4	C 1 2/c 1	11.097; 8.2444; 26.821 90; 91.457; 90	2453	Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158
1516168	CIF	C12 H14 N2 O5	P 1 21/n 1	18.385; 5.62; 12.034 90; 96.57; 90	1235.2	Amit, A.; Mester, L.; Klewe, B.; Furberg, S. The Crystal Structure of Serotonin Hydrogen Oxalate Acta Chemica Scandinavica A, 1978, 267-270
1516169	CIF	C10 H8 B2 F4 N4	C 1 2/m 1	12.2662; 6.8136; 7.0499 90; 105.816; 90	566.9	Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole. Organic letters, 2014, 16, 3048-3051
1516170	CIF	C14 H16 B2 F4 N4	P 1 21/c 1	9.2147; 12.1024; 7.3238 90; 108.772; 90	773.3	Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole. Organic letters, 2014, 16, 3048-3051
1516171	CIF	C18 H24 B2 F4 N4	P 1 21/n 1	9.676; 13.659; 15.313 90; 103.66; 90	1966.6	Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole. Organic letters, 2014, 16, 3048-3051
1516172	CIF	C10 H9 B F2 N4	P b c a	12.306; 9.48; 18.766 90; 90; 90	2189.3	Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole. Organic letters, 2014, 16, 3048-3051
1516173	CIF	C14 H17 B F2 N4	P 1 21/c 1	8.058; 21.225; 8.7995 90; 102.217; 90	1470.9	Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole. Organic letters, 2014, 16, 3048-3051
1516174	CIF	C26 H22 F6 N4 O4	C 1 2/c 1	29.895; 12.375; 15.464 90; 107.104; 90	5468	Zhang, Fa-Guang; Wei, Yi; Yi, Yu-Ping; Nie, Jing; Ma, Jun-An Regioselective Cycloaddition of Trifluorodiazoethane with Electron-Deficient Allenic Esters and Ketones: Access to CF3-Substituted Pyrazolines and Pyrazoles. Organic letters, 2014, 16, 3122-3125
1516175	CIF	C15 H18 N2 O3	P 1 21/n 1	9.4197; 8.3092; 17.992 90; 98.7; 90	1392	Cai, Shangjun; Chen, Chao; Shao, Peng; Xi, Chanjuan Rh(III)-Catalyzed Cascade Oxidative Olefination/Cyclization of Picolinamides and Alkenes via C-H Activation. Organic letters, 2014, 16, 3142-3145
1516176	CIF	C14 H16 N2 O3	P 1 21/c 1	7.5875; 21.568; 8.3245 90; 110.26; 90	1278	Cai, Shangjun; Chen, Chao; Shao, Peng; Xi, Chanjuan Rh(III)-Catalyzed Cascade Oxidative Olefination/Cyclization of Picolinamides and Alkenes via C-H Activation. Organic letters, 2014, 16, 3142-3145
1516177	CIF	C6 Cl4 O2	P 1 21/n 1	26.01; 8.1572; 28.795 90; 113.518; 90	5601.9	Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924
1516178	CIF	C6 Cl4 O2	P 1 21/c 1	6.0592; 16.3472; 8.1183 90; 94.249; 90	801.92	Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924
1516179	CIF	C16 H14 Cl4 O2	P 1 21/n 1	9.1022; 13.8161; 13.3595 90; 100.202; 90	1653.49	Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924
1516180	CIF	C60 H30 Cl8 O4	P 1 c 1	8.3157; 38.967; 14.2436 90; 91.718; 90	4613.4	Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924
1516181	CIF	C13 H6 Cl6 O2 S4	P 1 21/c 1	17; 13.405; 17.205 90; 97.907; 90	3883	Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924
1516182	CIF	C12 H4 Cl4 O2 S4	P 1 21/n 1	7.17; 16.961; 12.731 90; 97.176; 90	1536.1	Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924
1516183	CIF	C35 H80 B11 O4 S4	P -1	10.587; 11.677; 12.74 63.152; 67.095; 68.555	1259.4	Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924
1516184	CIF	C19 H40 B11 S4	P 1 21/n 1	9.1393; 13.3909; 12.5744 90; 109.609; 90	1449.6	Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924
1516185	CIF	C23 H22 O5	P -1	12.4283; 12.4686; 12.8462 85.951; 88.997; 78.875	1948.4	Choe, Tina; Khan, Saeed I.; Garcia-Garibay, Miguel A Combination vs. disproportionation in dialkyl biradicals. Selectivity reversal in a crystalline solid. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 449-451
1516186	CIF	C22 H22 O4	C 1 2/c 1	25.049; 11.3809; 14.7771 90; 117.603; 90	3733.2	Choe, Tina; Khan, Saeed I.; Garcia-Garibay, Miguel A Combination vs. disproportionation in dialkyl biradicals. Selectivity reversal in a crystalline solid. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 449-451
1516187	CIF	C22 H22 O4	P 1 21/c 1	14.8162; 14.8987; 8.3482 90; 90.134; 90	1842.8	Choe, Tina; Khan, Saeed I.; Garcia-Garibay, Miguel A Combination vs. disproportionation in dialkyl biradicals. Selectivity reversal in a crystalline solid. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 449-451
1516188	CIF	C18 H17 O6	P 21 21 2	5.4674; 29.89; 4.4627 90; 90; 90	729.3	La Clair, James J.; Rheingold, Arnold L.; Burkart, Michael D. Ganodone, a bioactive benzofuran from the fruiting bodies of Ganoderma tsugae. Journal of natural products, 2011, 74, 2045-2051
1516189	CIF	C7 H5 F O2	P 1 21/n 1	3.816; 6.3759; 26.571 90; 94.353; 90	644.6	Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863
1516190	CIF	C13 H11 F N2 O3	C 1 2/c 1	22.913; 5.2046; 20.0132 90; 100.212; 90	2348.8	Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863
1516191	CIF	C7 H5 F O2	P 1 21/n 1	3.7812; 6.3418; 26.539 90; 94.11; 90	634.8	Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863
1516192	CIF	C13 H10 F N2 O3	P -1	7.0275; 7.4474; 12.6005 74.371; 87.185; 70.004	596.12	Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863
1516193	CIF	C7 H5 F O2	P 1 21/n 1	6.5525; 3.7524; 25.021 90; 92.82; 90	614.5	Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863
1516194	CIF	C7 H5 F O2	P 1 21/c 1	3.7041; 6.2642; 26.6604 90; 92.96; 90	617.78	Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863
1516195	CIF	C7 H5 F O2	P 1 21/c 1	3.7411; 6.305; 26.564 90; 93.54; 90	625.4	Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863
1516196	CIF	C7 H5 F O2	P 1 21/c 1	3.7637; 6.3314; 26.607 90; 93.76; 90	632.7	Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863
1516197	CIF	C7 H5 F O2	P 1 21/n 1	6.7465; 3.7192; 24.285 90; 92.91; 90	608.6	Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863
1516198	CIF	C13 H11 F N2 O3	C 1 2/c 1	22.046; 5.2078; 20.995 90; 95.888; 90	2397.7	Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863

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