Crystallography Open Database

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1502655 CIFC14.5 H16 Cl2 N4 O3C 1 2/c 122.13; 9.2835; 15.475
90; 92.678; 90
3175.8Shao, Xusheng; Fu, Hua; Xu, Xiaoyong; Xu, Xinglei; Liu, Zewen; Li, Zhong; Qian, Xuhong
Divalent and oxabridged neonicotinoids constructed by dialdehydes and nitromethylene analogues of imidacloprid: design, synthesis, crystal structure, and insecticidal activities.
Journal of agricultural and food chemistry, 2010, 58, 2696-2702
1502663 CIFC36 H28 N14 Ni O4C 1 2/c 113.226; 15.714; 16.609
90; 90.107; 90
3451.9Maldonado, Carmen R.; Marín, Clotilde; Olmo, Francisco; Huertas, Oscar; Quirós, Miguel; Sánchez-Moreno, Manuel; Rosales, María J; Salas, Juan M.
In vitro and in vivo trypanocidal evaluation of nickel complexes with an azapurine derivative against Trypanosoma cruzi.
Journal of medicinal chemistry, 2010, 53, 6964-6972
1502671 CIFC22 H21 N3 O4C 1 2/c 117.16; 8.241; 28.64
90; 105.34; 90
3905.8Zhu, Mingyan; Kim, Myung Hee; Lee, Sanghee; Bae, Su Jung; Kim, Seong Hwan; Park, Seung Bum
Discovery of novel benzopyranyl tetracycles that act as inhibitors of osteoclastogenesis induced by receptor activator of NF-κB ligand.
Journal of medicinal chemistry, 2010, 53, 8760-8764
1502673 CIFC19 H27 N4 O2.5C 1 2/c 113.2127; 14.571; 37.9181
90; 94.572; 90
7276.8Vernekar, Sanjeev Kumar V.; Hallaq, Hasan Y.; Clarkson, Guy; Thompson, Andrew J.; Silvestri, Linda; Lummis, Sarah C. R.; Lochner, Martin
Toward biophysical probes for the 5-HT3 receptor: structure-activity relationship study of granisetron derivatives.
Journal of medicinal chemistry, 2010, 53, 2324-2328
1502685 CIFC110 H76 Cl4 Cu F6 N4 PC 1 2/c 124.538; 28.186; 18.9595
90; 129.526; 90
10114.5Lockard, Jenny V.; Kabehie, Sanaz; Zink, Jeffrey I.; Smolentsev, Grigory; Soldatov, Alexander; Chen, Lin X.
Influence of ligand substitution on excited state structural dynamics in Cu(I) bisphenanthroline complexes.
The journal of physical chemistry. B, 2010, 114, 14521-14527
1502686 CIFC10 H16 F12 N4 P2C 1 2/c 122.186; 6.4852; 14.4065
90; 122.621; 90
1745.8Lee, Minjae; Niu, Zhenbin; Slebodnick, Carla; Gibson, Harry W.
Structure and properties of N,N-alkylene bis(N'-alkylimidazolium) salts.
The journal of physical chemistry. B, 2010, 114, 7312-7319
1502712 CIFC50 H24 Cl4 Mn N8C 1 2/c 119.4543; 10.1426; 22.8662
90; 92.539; 90
4507.5Her, Jae-Hyuk; Stephens, Peter W.; Bagnato, Joshua D.; Miller, Joel S.
Structures and Magnetostructural Correlation of Two Desolvated Polymorphs of Ferrimagneticmeso-Tetrakis(4-chlorophenyl)porphinatomanganese(III) Tetracyanoethenide, [MnTClPP]+[TCNE]•−†
The Journal of Physical Chemistry C, 2010, 114, 20614
1502722 CIFC7 H8 N2 OC 1 2/c 119.7305; 7.5421; 19.521
90; 108.659; 90
2752.22Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari
Self-organization of 2-acylaminopyridines in the solid state and in solution.
The journal of physical chemistry. A, 2010, 114, 10421-10426
1502726 CIFC9 H12 N2 OC 1 2/c 115.0714; 9.4669; 12.7208
90; 90.861; 90
1814.8Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari
Self-organization of 2-acylaminopyridines in the solid state and in solution.
The journal of physical chemistry. A, 2010, 114, 10421-10426
1502750 CIFC18 H14 F6 N2 O7 S6C 1 2/c 121.027; 5.4802; 23.594
90; 111.274; 90
2533.5Zhu, Qin-Yu; Huo, Li-Bin; Qin, Yu-Rong; Zhang, Ya-Ping; Lu, Zhe-Jun; Wang, Jin-Po; Dai, Jie
Triadic intramolecular charge transfer compound of tetrathiafulvalene exhibiting multicolor solvatochromism.
The journal of physical chemistry. B, 2010, 114, 361-367
1502752 CIFC18 H21 N3 O4C 1 2/c 114.0496; 11.80399; 20.9323
90; 100.936; 90
3408.4Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Hasegawa, Gen; Yonemochi, Etsuo; Terada, Katsuhide; Pan, Zhigang; Harris, Kenneth D. M.
Physicochemical Understanding of Polymorphism and Solid-State Dehydration/Rehydration Processes for the Pharmaceutical Material Acrinol, by Ab Initio Powder X-ray Diffraction Analysis and Other Techniques
The Journal of Physical Chemistry C, 2010, 114, 580
1502765 CIFC40 H28 O2C 1 2/c 116.698; 10.5516; 16.706
90; 98.437; 90
2911.6Wang, Weizhi; Lin, Tingting; Wang, Min; Liu, Tian-Xi; Ren, Lulu; Chen, Dan; Huang, Shu
Aggregation emission properties of oligomers based on tetraphenylethylene.
The journal of physical chemistry. B, 2010, 114, 5983-5988
1502786 CIFC49 H86 Co2 N4 O9C 1 2/c 140.1077; 11.9548; 27.7661
90; 128.183; 90
10464.8Kember, Michael R.; White, Andrew J. P.; Williams, Charlotte K.
Highly Active Di- and Trimetallic Cobalt Catalysts for the Copolymerization of CHO and CO2at Atmospheric Pressure
Macromolecules, 2010, 43, 2291
1502789 CIFC79 H104 Cl4 O2 Si2 Ti2C 1 2/c 126.407; 14.346; 20.052
90; 96.115; 90
7553Senda, Taichi; Hanaoka, Hidenori; Nakahara, Shinya; Oda, Yoshiaki; Tsurugi, Hayato; Mashima, Kazushi
Rational Design of Silicon-Bridged Fluorenyl−Phenoxy Group 4 Metal Complexes as Catalysts for Producing High Molecular Weight Copolymers of Ethylene and 1-Hexene at Elevated Temperature
Macromolecules, 2010, 43, 2299
1502793 CIFC20 H30 O3C 1 2/c 123.345; 10.44; 17.519
90; 123.19; 90
3573.2Zou, Guo-An; Ding, Gang; Su, Zhi-Heng; Yang, Jun-Shan; Zhang, Hone-Wu; Peng, Chao-Zhong; Aisa, Haiji Akber; Zou, Zhong-Mei
Lactonecembranoids from Croton laevigatus.
Journal of natural products, 2010, 73, 792-795
1502818 CIFC15 H22 O2C 1 2/c 131.0432; 8.6025; 9.5501
90; 92.677; 90
2547.56Pettit, George R.; Meng, Yanhui; Pettit, Robin K.; Herald, Delbert L.; Cichacz, Zbigniew A.; Doubek, Dennis L.; Richert, Linda
Antineoplastic agents. 556. Isolation and structure of Coprinastatin 1 from Coprinus cinereus.
Journal of natural products, 2010, 73, 388-392
1502857 CIFC22.375 H30.375 Cl1.125 N O5 PC 1 2/c 117.2209; 11.0759; 25.2187
90; 90.108; 90
4810.13Lu, Hongjian; Tao, Jingran; Jones, Jess E.; Wojtas, Lukasz; Zhang, X. Peter
Cobalt(II)-catalyzed intramolecular C-H amination with phosphoryl azides: formation of 6- and 7-membered cyclophosphoramidates.
Organic letters, 2010, 12, 1248-1251
1502900 CIFC28 H30 N4 O6 SC 1 2/c 129.196; 11.506; 19.556
90; 123.663; 90
5468Jones, Amanda L.; Snyder, John K.
Synthesis of unique scaffolds via Diels-Alder cycloadditions of tetrasubstituted cyclohexadienes.
Organic letters, 2010, 12, 1592-1595
1502917 CIFC119.5 H174 N8 O23.5C 1 2/c 114.843; 24.4118; 32.8037
90; 95.254; 90
11836.3Beyeh, N. Kodiah; Valkonen, Arto; Rissanen, Kari
Piperazine bridged resorcinarene cages.
Organic letters, 2010, 12, 1392-1395
1502924 CIFC134 H149 N9 Zn2C 1 2/c 129.021; 10.712; 49.322
90; 98.552; 90
15162Maeda, Chihiro; Shinokubo, Hiroshi; Osuka, Atsuhiro
Synthesis of meso,meso'-pyrrole-bridged diporphyrins by Cu(I)-mediated annulation.
Organic letters, 2010, 12, 1820-1823
1502949 CIFC82 H111 F12 N5 O22 P2C 1 2/c 128.597; 10.465; 29.068
90; 95.36; 90
8661Su, Yong-Sheng; Chen, Chuan-Feng
Novel anthracene-based cylindrical macrotricyclic polyether: powerful host for bispyridinium dications.
Organic letters, 2010, 12, 1888-1891
1502985 CIFC22 H20 N2 S4C 1 2/c 116.1903; 9.7742; 13.6344
90; 105.714; 90
2077Gontier, Elodie; Bellec, Nathalie; Brignou, Pierre; Gohier, Arnaud; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique
Pyridyldithiafulvenes as precursors of coordination-driven self-assembled redox active macrocycle.
Organic letters, 2010, 12, 2386-2389
1502987 CIFC52 H40 Mo2 N4 O8 S8C 1 2/c 118.067; 19.602; 24.107
90; 105.061; 90
8244Gontier, Elodie; Bellec, Nathalie; Brignou, Pierre; Gohier, Arnaud; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique
Pyridyldithiafulvenes as precursors of coordination-driven self-assembled redox active macrocycle.
Organic letters, 2010, 12, 2386-2389
1502991 CIFC21 H19 N O4C 1 2/c 134.5215; 6.185; 16.8548
90; 103.311; 90
3502.08Gourdet, Benoit; Rudkin, Mairi E.; Lam, Hon Wai
Rhodium-catalyzed annulation of ynamides with bifunctional arylboron reagents.
Organic letters, 2010, 12, 2554-2557
1503014 CIFC53 H66 Cl4 O10C 1 2/c 111.311; 21.467; 21.439
90; 103.77; 90
5056.1Zhang, Zibin; Xia, Binyuan; Han, Chengyou; Yu, Yihua; Huang, Feihe
Syntheses of copillar[5]arenes by co-oligomerization of different monomers.
Organic letters, 2010, 12, 3285-3287
1503043 CIFC23 H13 Cl N2 O3C 1 2/c 133.018; 11.8272; 9.8005
90; 103.131; 90
3727.1Kao, Tzu-Ting; Syu, Siang-en; Jhang, Yi-Wun; Lin, Wenwei
Preparation of tetrasubstituted furans via intramolecular Wittig reactions with phosphorus ylides as intermediates.
Organic letters, 2010, 12, 3066-3069
1503047 CIFC34 H46 Cl O3 PC 1 2/c 123.91; 10.4217; 28.342
90; 108.506; 90
6697.1Kao, Tzu-Ting; Syu, Siang-en; Jhang, Yi-Wun; Lin, Wenwei
Preparation of tetrasubstituted furans via intramolecular Wittig reactions with phosphorus ylides as intermediates.
Organic letters, 2010, 12, 3066-3069
1503052 CIFC30 H29 N O3 SC 1 2/c 121.763; 10.484; 23.818
90; 111.79; 90
5046Li, Changkun; Zhang, Hang; Feng, Jiajie; Zhang, Yan; Wang, Jianbo
Rh(I)-catalyzed carbonylative carbocyclization of tethered ene- and yne-cyclopropenes.
Organic letters, 2010, 12, 3082-3085
1503056 CIFC20 H19 O4 PC 1 2/c 127.553; 8.908; 17.38
90; 125.364; 90
3479Zhang, Dong; Celaje, Jeff A.; Agua, Alon; Doan, Chad; Stewart, Timothy; Bau, Robert; Selke, Matthias
Photooxidation of mixed aryl and biarylphosphines.
Organic letters, 2010, 12, 3100-3103
1503149 CIFC42 H68 N6 O8C 1 2/c 128.068; 11.6716; 16.1222
90; 124.007; 90
4378.3Zeika, Olaf; Li, Yongjun; Jockusch, Steffen; Parkin, Gerard; Sattler, Aaron; Sattler, Wesley; Turro, Nicholas J.
Synthesis of polynitroxides based on nucleophilic aromatic substitution.
Organic letters, 2010, 12, 3696-3699
1503152 CIFC16 H12 N2 O0 SC 1 2/c 119.0234; 10.3429; 14.4289
90; 112.754; 90
2618Xu, Hui; Zhang, Yin; Huang, Jianqiang; Chen, Wanzhi
Copper-catalyzed synthesis of N-fused heterocycles through regioselective 1,2-aminothiolation of 1,1-dibromoalkenes.
Organic letters, 2010, 12, 3704-3707
1503195 CIFC24 H20 O8C 1 2/c 111.4827; 11.0568; 16.4519
90; 106.924; 90
1998.3Sakamoto, Masami; Yagishita, Fumitoshi; Kanehiro, Masayuki; Kasashima, Yoshio; Mino, Takashi; Fujita, Tsutomu
Exclusive photodimerization reactions of chromone-2-carboxylic esters depending on reaction media.
Organic letters, 2010, 12, 4435-4437
1503200 CIFC28 H15 B Br3 N3 O S3C 1 2/c 128.04; 7.483; 26.42
90; 101.36; 90
5435Hayashi, Shin-ya; Inokuma, Yasuhide; Osuka, Atsuhiro
meso-Tris(oligo-2,5-thienylene)-substituted subporphyrins.
Organic letters, 2010, 12, 4148-4151
1503209 CIFC18 H16 N2 O6C 1 2/c 116.3276; 9.2926; 11.4092
90; 108.846; 90
1638.27Ramadhar, Timothy R.; Kawakami, Jun-ichi; Lough, Alan J.; Batey, Robert A.
Stereocontrolled synthesis of contiguous C(sp3)-C(aryl) bonds by lanthanide(III)-catalyzed domino aryl-Claisen [3,3]-sigmatropic rearrangements.
Organic letters, 2010, 12, 4446-4449
1503215 CIFC16 H8 N2 O SC 1 2/c 114.6637; 11.904; 7.2169
90; 115.913; 90
1133.1Linder, Thomas; Badiola, Eider; Baumgartner, Thomas; Sutherland, Todd C.
Synthesis of π-extended thiadiazole (oxides) and their electronic properties.
Organic letters, 2010, 12, 4520-4523
1503245 CIFC22 H20 N2 OC 1 2/c 121.376; 9.2038; 17.855
90; 100.141; 90
3457.9Chen, Zhiyuan; Wu, Jie
Efficient generation of biologically active H-pyrazolo[5,1-a]isoquinolines via multicomponent reaction.
Organic letters, 2010, 12, 4856-4859
1503268 CIFC110 H114 N12 O10C 1 2/c 135.322; 10.7751; 29.684
90; 122.134; 90
9566.9Baumes, Jeffrey M.; Murgu, Ivan; Oliver, Allen; Smith, Bradley D.
Using the rotaxane mechanical bond to enhance chemical reactivity.
Organic letters, 2010, 12, 4980-4983
1503300 CIFC50 H6 B2 F28 N2 S4C 1 2/c 120.92; 7.65; 31.32
90; 106.74; 90
4800Job, Andre; Wakamiya, Atsushi; Kehr, Gerald; Erker, Gerhard; Yamaguchi, Shigehiro
Electronic tuning of thiazolyl-capped π-conjugated compounds via a coordination/cyclization protocol with B(C6F5)3.
Organic letters, 2010, 12, 5470-5473
1503317 CIFC22 H16 N2C 1 2/c 111.7567; 11.2192; 24.6046
90; 91.951; 90
3243.5Andrew, Trisha L.; Cox, Jason R.; Swager, Timothy M.
Synthesis, reactivity, and electronic properties of 6,6-dicyanofulvenes.
Organic letters, 2010, 12, 5302-5305
1503329 CIFC25 H24 O2C 1 2/c 139.2278; 5.012; 24.2164
90; 124.793; 90
3910Shibata, Yu; Noguchi, Keiichi; Tanaka, Ken
Cationic rhodium(I) complex-catalyzed cotrimerization of propargyl esters and arylacetylenes leading to substituted dihydropentalenes.
Organic letters, 2010, 12, 5596-5599
1503347 CIFC22.75 H18 Cl0.5 N2 S2C 1 2/c 129.2045; 13.3826; 11.4733
90; 99.7; 90
4420Balaji, Ganapathy; Phua, Dazril Izrar; Shim, Wong Low; Valiyaveettil, Suresh
Synthesis and characterization of unsymmetric indolodithienopyrrole and extended diindolodithienopyrrole.
Organic letters, 2010, 12, 232-235
1503373 CIFC24 H22 O3.5 S6 Si2C 1 2/c 137.99; 17.583; 10.968
90; 102.348; 90
7157Wang, Zhihua; Shi, Jianwu; Wang, Jiange; Li, Chunli; Tian, Xinyong; Cheng, Yanxiang; Wang, Hua
Syntheses and crystal structures of benzohexathia[7]helicene and naphthalene cored double helicene.
Organic letters, 2010, 12, 456-459
1503378 CIFC25 H36 Br O5 PC 1 2/c 135.9751; 11.4216; 13.04
90; 102.239; 90
5236.27Foucher, Vincent; Guizzardi, Benedetta; Groen, Marinus B.; Light, Mark; Linclau, Bruno
A novel, versatile D–>BCD steroid construction strategy, illustrated by the enantioselective total synthesis of estrone.
Organic letters, 2010, 12, 680-683
1503421 CIFC23 H20 O5 S2C 1 2/c 120.0117; 10.0091; 10.6634
90; 115.921; 90
1921Qin, Qian; Mague, Joel T.; Pascal, Jr, Robert A
An in-ketocyclophane.
Organic letters, 2010, 12, 928-930
1503422 CIFC25 H30 N2 O4C 1 2/c 125.455; 11.706; 15.9
90; 108.646; 90
4489.1Faggi, Cristina; García-Valverde, María; Marcaccini, Stefano; Menchi, Gloria
Isolation of ugi four-component condensation primary adducts: a straightforward route to isocoumarins.
Organic letters, 2010, 12, 788-791
1503440 CIFC45.71 H55.01 N3.86 O12.14C 1 2/c 118.093; 9.0114; 28.029
90; 101.57; 90
4477.1Liu, Ming; Yan, Xuzhou; Hu, Menglong; Chen, Xiaopeng; Zhang, Mingming; Zheng, Bo; Hu, Xiaohuan; Shao, Shuang; Huang, Feihe
Photoresponsive host-guest systems based on a new azobenzene-containing cryptand.
Organic letters, 2010, 12, 2558-2561
1503443 CIFC16 H23 N O2C 1 2/c 125.123; 6.487; 27.418
90; 134.853; 90
3167.7Mycka, Robert J.; Steward, Omar W.; Fleming, Fraser F.
Gamma-hydroxynitrile alkylations: electrophile-dependent stereoselectivity.
Organic letters, 2010, 12, 3030-3033
1503448 CIFC23 H24 OC 1 2/c 132.0014; 10.3331; 22.6217
90; 96.632; 90
7430.3Yang, Chun-Ming; Jeganmohan, Masilamani; Parthasarathy, Kanniyappan; Cheng, Chien-Hong
Highly selective nickel-catalyzed three-component coupling of alkynes with enones and alkenyl boronic acids: a novel route to substituted 1,3-dienes
Organic Letters, 2010, 12, 3610-3613
1503477 CIFC48 H34 Cl2 N2 O2C 1 2/c 134.248; 12.589; 20.845
90; 124.556; 90
7402Jierry, Loïc; Harthong, Steven; Aronica, Christophe; Mulatier, Jean-Christophe; Guy, Laure; Guy, Stéphan
Efficient dibenzo[c]acridine helicene-like synthesis and resolution: scaleup, structural control, and high chiroptical properties.
Organic letters, 2012, 14, 288-291
1503479 CIFC46 H32 N2 O2C 1 2/c 115.359; 23.994; 10.421
90; 93.476; 90
3833Jierry, Loïc; Harthong, Steven; Aronica, Christophe; Mulatier, Jean-Christophe; Guy, Laure; Guy, Stéphan
Efficient dibenzo[c]acridine helicene-like synthesis and resolution: scaleup, structural control, and high chiroptical properties.
Organic letters, 2012, 14, 288-291

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