Crystallography Open Database
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Searching space group like 'C 1 2/c 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1501721 | CIF | C5 H10 N2 S2 | C 1 2/c 1 | 10.3212; 8.8807; 7.5565 90; 93.299; 90 | 691.48 | Bushmarinov, I. S.; Fedyanin, I. V.; Lyssenko, K. A.; Lapteva, V. L.; Pisarev, S. A.; Palyulin, V. A.; Zefirov, N. S.; Antipin, M. Yu The "hockey sticks" effect revisited: the conformational and electronic properties of 3,7-dithia-1,5-diazabicyclo[3.3.1]nonane from the QTAIM perspective. The journal of physical chemistry. A, 2011, 115, 12738-12745 |
| 1501745 | CIF | C11 H8 N4 S | C 1 2/c 1 | 10.97; 8.986; 20.881 90; 103.66; 90 | 2000.2 | Nakanishi, Waro; Hayashi, Satoko; Pitak, Mateusz B.; Hursthouse, Michael B.; Coles, Simon J. Dynamic and static behaviors of N-Z-N σ(3c-4e) (Z = S, Se, and Te) interactions: atoms-in-molecules dual functional analysis with high-resolution X-ray diffraction determination of electron densities for 2-(2-pyridylimino)-2H-1,2,4-thiadiazolo[2,3-a]pyridine. The journal of physical chemistry. A, 2011, 115, 11775-11787 |
| 1501750 | CIF | C13 H18 N2 | C 1 2/c 1 | 16.649; 14.441; 20.354 90; 92.7; 90 | 4888.2 | Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A. Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline. The journal of physical chemistry. A, 2011, 115, 10823-10845 |
| 1501772 | CIF | C32 H50 Li O4 | C 1 2/c 1 | 19.191; 9.8248; 17.327 90; 110.442; 90 | 3061.2 | de la Viuda, Mónica; Yus, Miguel; Guijarro, Albert On the nature of lithium biphenyl in ethereal solvents. A critical analysis unifying DFT calculations, physicochemical data in solution, and a X-ray structure. The journal of physical chemistry. B, 2011, 115, 14610-14616 |
| 1501773 | CIF | C22 H12 S4 | C 1 2/c 1 | 38.113; 5.8256; 7.8705 90; 93.77; 90 | 1743.7 | Chen, Huajie; Cui, Qingyu; Yu, Gui; Guo, Yunlong; Huang, Jianyao; Zhu, Minliang; Guo, Xiaojun; Liu, Yunqi Synthesis and Characterization of Novel Semiconductors Based on Thieno[3,2-b][1]benzothiophene Cores and Their Applications in the Organic Thin-Film Transistors The Journal of Physical Chemistry C, 2011, 115, 23984 |
| 1501780 | CIF | C36 H40 Cl2 N2 O4 Zr | C 1 2/c 1 | 23.2628; 8.7389; 16.6065 90; 93.635; 90 | 3369.2 | Theaker, Giles W.; Morton, Colin; Scott, Peter Zirconium-Catalyzed Polymerization of a Styrene: Catalyst Reactivation Mechanisms Using Alkenes and Dihydrogen Macromolecules, 2011, 44, 1393 |
| 1501788 | CIF | C18 H28 Cl2 N2 Ti | C 1 2/c 1 | 30.917; 10.5621; 12.0811 90; 92.5986; 90 | 3941.01 | Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems Macromolecules, 2011, 44, 1986 |
| 1501851 | CIF | C26 H30 N2 O4 | C 1 2/c 1 | 24.668; 17.4685; 25.941 90; 107.172; 90 | 10680 | Sarma, Tridib; Panda, Pradeepta K.; Anusha, P. T.; Rao, S. Venugopal Dinaphthoporphycenes: synthesis and nonlinear optical studies. Organic letters, 2011, 13, 188-191 |
| 1501888 | CIF | C58 H44 N8 O10 S4 | C 1 2/c 1 | 23.242; 7.8358; 30.029 90; 92.897; 90 | 5461.9 | Van Rossom, Wim; Robeyns, Koen; Ovaere, Magriet; Van Meervelt, Luc; Dehaen, Wim; Maes, Wouter Odd-numbered oxacalix[n]arenes (n = 5, 7): synthesis and solid-state structures. Organic letters, 2011, 13, 126-129 |
| 1501926 | CIF | C16 H12 I2 O | C 1 2/c 1 | 28.7109; 6.0157; 20.2899 90; 120.169; 90 | 3029.7 | Zhu, Hai-Tao; Ji, Ke-Gong; Yang, Fang; Wang, Li-Jing; Zhao, Shu-Chun; Ali, Shaukat; Liu, Xue-Yuan; Liang, Yong-Min Electrophilic carbocyclization of aryl propargylic alcohols: a facile synthesis of diiodinated carbocycles and heterocycles. Organic letters, 2011, 13, 684-687 |
| 1501944 | CIF | C32 H32 N O3 P | C 1 2/c 1 | 42.662; 9.5733; 33.755 90; 125.507; 90 | 11222 | Yin, Guangwei; Zhu, Yuanxun; Zhang, Li; Lu, Ping; Wang, Yanguang Preparation of Allenephosphoramide and Its Utility in the Preparation of 4,9-Dihydro-2H-benzo[f]isoindoles Organic Letters, 2011, 13, 940-943 |
| 1501968 | CIF | C25 H27 N O2 | C 1 2/c 1 | 28.765; 6.134; 25.888 90; 116.08; 90 | 4102.7 | Cohen, Daniel T.; Cardinal-David, Benoit; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A. NHC-catalyzed/titanium(IV)-mediated highly diastereo- and enantioselective dimerization of enals. Organic letters, 2011, 13, 1068-1071 |
| 1501992 | CIF | C108 H108 Si6 | C 1 2/c 1 | 78.14; 11.995; 25.629 90; 104.904; 90 | 23214 | Gessner, Viktoria H.; Tilley, T. Don Diphenylanthracene macrocylces from reductive zirconocene coupling: on the edge of steric overload. Organic letters, 2011, 13, 1154-1157 |
| 1502007 | CIF | C33 H31 N5 O3 S | C 1 2/c 1 | 26.7452; 11.6338; 18.7886 90; 107.743; 90 | 5568 | Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J. Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks. Organic letters, 2011, 13, 1382-1385 |
| 1502009 | CIF | C13 H15 N5 O3 S | C 1 2/c 1 | 35.609; 5.7753; 14.2217 90; 94.238; 90 | 2916.7 | Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J. Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks. Organic letters, 2011, 13, 1382-1385 |
| 1502015 | CIF | C26 H14 Br4 | C 1 2/c 1 | 20.7871; 9.92103; 22.1583 90; 97.5244; 90 | 4530.35 | Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant. Organic letters, 2011, 13, 1634-1637 |
| 1502016 | CIF | C30 H26 | C 1 2/c 1 | 20.3854; 10.05033; 21.6071 90; 97.21; 90 | 4391.86 | Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant. Organic letters, 2011, 13, 1634-1637 |
| 1502036 | CIF | C24 H19 N3 O2 | C 1 2/c 1 | 21.849; 12.3571; 16.732 90; 100.169; 90 | 4446.5 | Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties. Organic letters, 2011, 13, 1658-1661 |
| 1502079 | CIF | C14 H10 I N | C 1 2/c 1 | 23.8893; 5.446; 19.6525 90; 112.514; 90 | 2361.95 | Pawluć, Piotr; Franczyk, Adrian; Walkowiak, Jędrzej; Hreczycho, Grzegorz; Kubicki, Maciej; Marciniec, Bogdan (E)-9-(2-iodovinyl)-9H-carbazole: a new coupling reagent for the synthesis of π-conjugated carbazoles. Organic letters, 2011, 13, 1976-1979 |
| 1502085 | CIF | C13 H15 N O2 | C 1 2/c 1 | 11.217; 10.848; 18.81 90; 100.54; 90 | 2250.2 | Kulyk, Svitlana; Dougherty, Jr, William G; Kassel, W. Scott; Zdilla, Michael J.; Sieburth, Scott McN Intramolecular pyridone/enyne photocycloaddition: partitioning of the [4 + 4] and [2 + 2] pathways. Organic letters, 2011, 13, 2180-2183 |
| 1502105 | CIF | C17 H18 N2 O5 | C 1 2/c 1 | 35.653; 6.9183; 14.1033 90; 112.256; 90 | 3219.52 | Donohoe, Timothy J.; Connolly, Matthew J.; Rathi, Akshat H.; Walton, Lesley Intramolecular hydride addition to pyridinium salts: new routes to enantiopure dihydropyridones. Organic letters, 2011, 13, 2074-2077 |
| 1502130 | CIF | C92 H68 Cu4 N20 O28 | C 1 2/c 1 | 30.119; 20.405; 16.284 90; 100.895; 90 | 9827 | Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R. Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns. Organic letters, 2011, 13, 2260-2262 |
| 1502164 | CIF | C38.5 H56 Cu N2 O2.5 | C 1 2/c 1 | 16.953; 20.663; 11.0738 90; 107.751; 90 | 3694.5 | White, James D.; Shaw, Subrata cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric catalysis via salen-metal complexes. Organic letters, 2011, 13, 2488-2491 |
| 1502165 | CIF | C38 H54 N2 Ni O2 | C 1 2/c 1 | 16.768; 20.434; 11.1052 90; 107.415; 90 | 3630.6 | White, James D.; Shaw, Subrata cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric catalysis via salen-metal complexes. Organic letters, 2011, 13, 2488-2491 |
| 1502167 | CIF | C18 H34 O3 Si | C 1 2/c 1 | 25.618; 11.614; 13.245 90; 99.86; 90 | 3882.5 | Xu, Tao; Li, Chuang-chuang; Yang, Zhen A concise approach for the total synthesis of pseudolaric acid A. Organic letters, 2011, 13, 2630-2633 |
| 1502184 | CIF | C138 H140 B4 Cl6 F8 N16 | C 1 2/c 1 | 57.842; 7.955; 29.332 90; 113.676; 90 | 12361 | Hayashi, Yosuke; Yamaguchi, Shigeru; Cha, Won Young; Kim, Dongho; Shinokubo, Hiroshi Synthesis of directly connected BODIPY oligomers through Suzuki-Miyaura coupling. Organic letters, 2011, 13, 2992-2995 |
| 1502186 | CIF | C23 H14 O | C 1 2/c 1 | 49.52; 4.861; 40.62 90; 116.289; 90 | 8767 | Xiao, Jinchong; Yang, Bo; Wong, Jen It; Liu, Yi; Wei, Fengxia; Tan, Ke Jie; Teng, Xue; Wu, Yuechao; Huang, Ling; Kloc, Christian; Boey, Freddy; Ma, Jan; Zhang, Hua; Yang, Hui Ying; Zhang, Qichun Synthesis, characterization, self-assembly, and physical properties of 11-methylbenzo[d]pyreno[4,5-b]furan. Organic letters, 2011, 13, 3004-3007 |
| 1502195 | CIF | C54 H58 N2 O10 | C 1 2/c 1 | 22.2786; 13.2257; 17.1649 90; 118.54; 90 | 4443.1 | Niu, Zhenbin; Slebodnick, Carla; Bonrad, Klaus; Huang, Feihe; Gibson, Harry W. The first [2]pseudorotaxane and the first pseudocryptand-type poly[2]pseudorotaxane based on bis(meta-phenylene)-32-crown-10 and paraquat derivatives. Organic letters, 2011, 13, 2872-2875 |
| 1502232 | CIF | C21 H13 Br O3 | C 1 2/c 1 | 32.8336; 3.9719; 25.7332 90; 103.456; 90 | 3263.8 | Syu, Siang-en; Lee, Yu-Ting; Jang, Yeong-Jiunn; Lin, Wenwei Preparation of functional benzofurans, benzothiophenes, and indoles using ester, thioester, and amide via intramolecular Wittig reactions. Organic letters, 2011, 13, 2970-2973 |
| 1502239 | CIF | C14 H13 Cl O2 S2 | C 1 2/c 1 | 32.4723; 5.3295; 19.7631 90; 123.424; 90 | 2854.58 | Gelat, Fabien; Jayashankaran, Jayadevan; Lohier, Jean-François; Gaumont, Annie-Claude; Perrio, Stéphane Organocatalytic asymmetric synthesis of sulfoxides from sulfenic acid anions mediated by a Cinchona-derived phase-transfer reagent. Organic letters, 2011, 13, 3170-3173 |
| 1502255 | CIF | C21 H20 N2 O5 S | C 1 2/c 1 | 14.625; 18.877; 15.507 90; 112.404; 90 | 3958 | Zhang, Yong-Qiang; Zhu, Dao-Yong; Jiao, Zhi-Wei; Li, Bao-Sheng; Zhang, Fu-Min; Tu, Yong-Qiang; Bi, Zhigang Regiodivergent annulation of alkynyl indoles to construct spiro-pseudoindoxyl and tetrahydro-β-carbolines. Organic letters, 2011, 13, 3458-3461 |
| 1502306 | CIF | C84 H96 S3 Si3 | C 1 2/c 1 | 48.802; 9.1918; 39.5359 90; 123.36; 90 | 14812.8 | Chen, Jia-Hong; Wang, Shao-An; Liu, Yi-Hung; Wong, Ken-Tsung Synthesis and properties of novel C3-symmetric coplanar chromophores. Organic letters, 2011, 13, 4168-4171 |
| 1502330 | CIF | C31 H22 O5 | C 1 2/c 1 | 20.496; 18.931; 15.444 90; 108.178; 90 | 5693 | Fan, Yukai; Feng, Pengju; Liu, Mao; Pan, Hongjie; Shi, Yian A concise approach to the dalesconol skeleton. Organic letters, 2011, 13, 4494-4497 |
| 1502352 | CIF | C44 H38 O S4 | C 1 2/c 1 | 14.1748; 23.6414; 20.9266 90; 100.256; 90 | 6900.7 | Zöphel, Lukas; Enkelmann, Volker; Rieger, Ralph; Müllen, Klaus Saddle Shaped Hexaaryl[a,c,fg,j,l,op]tetracenes from 4,5,9,10-Tetrafunctionalized Pyrenes Organic Letters, 2011, 13, 4506-4509 |
| 1502361 | CIF | C44 H34.5 N1.5 O4 | C 1 2/c 1 | 34.5471; 10.8695; 20.1542 90; 117.093; 90 | 6737.6 | Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D. A molecular balance for measuring aliphatic CH-π interactions. Organic letters, 2011, 13, 4320-4323 |
| 1502403 | CIF | C56 H42 | C 1 2/c 1 | 23.3176; 10.4397; 16.694 90; 98.771; 90 | 4016.3 | Wu, Tsun-Cheng; Chen, Jheng-Jhih; Wu, Yao-Ting Nickel-catalyzed tetramerization of alkynes: synthesis and structure of octatetraenes. Organic letters, 2011, 13, 4794-4797 |
| 1502412 | CIF | C46 H31 Cl3 N2 | C 1 2/c 1 | 38.344; 11.346; 18.236 90; 112.657; 90 | 7321 | Wei, Xiaohong; Zhao, Miao; Du, Zhengyin; Li, Xingwei Synthesis of 1-aminoisoquinolines via Rh(III)-catalyzed oxidative coupling. Organic letters, 2011, 13, 4636-4639 |
| 1502414 | CIF | C51 H42 Cl2 | C 1 2/c 1 | 35.134; 9.7804; 28.186 90; 124.979; 90 | 7935.9 | Chen, Tse-An; Liu, Rai-Shung Synthesis of large polycyclic aromatic hydrocarbons from bis(biaryl)acetylenes: large planar PAHs with low π-sextets. Organic letters, 2011, 13, 4644-4647 |
| 1502420 | CIF | C24 H23 N5 | C 1 2/c 1 | 27.867; 10.0431; 14.5453 90; 98.547; 90 | 4025.6 | Mukhopadhyay, Chhanda; Das, Paramita; Butcher, Ray J. An expeditious and efficient synthesis of highly functionalized [1,6]-naphthyridines under catalyst-free conditions in aqueous medium. Organic letters, 2011, 13, 4664-4667 |
| 1502451 | CIF | C11 H12 Br N O3 S | C 1 2/c 1 | 25.372; 6.9965; 13.992 90; 109.771; 90 | 2337.4 | Samarakoon, Thiwanka B.; Loh, Joanna K.; Rolfe, Alan; Le, Lisa S.; Yoon, Sun Young; Lushington, Gerald H.; Hanson, Paul R. A modular reaction pairing approach to the diversity-oriented synthesis of fused- and bridged-polycyclic sultams. Organic letters, 2011, 13, 5148-5151 |
| 1502475 | CIF | C17 H14 O2 | C 1 2/c 1 | 15.3311; 8.9614; 18.9054 90; 103.569; 90 | 2524.88 | Chai, Guobi; Qiu, Youai; Fu, Chunling; Ma, Shengming Efficient assembly of chromone skeleton from 2,3-allenoic acids and benzynes. Organic letters, 2011, 13, 5196-5199 |
| 1502539 | CIF | C29 H36 N2 O7 S Si | C 1 2/c 1 | 25.6392; 14.1998; 34.5075 90; 98.0857; 90 | 12438.3 | Petit, Laurent; Banwell, Martin G.; Willis, Anthony C. The total synthesis of the crinine alkaloid hamayne via a Pd[0]-catalyzed intramolecular alder-ene reaction. Organic letters, 2011, 13, 5800-5803 |
| 1502574 | CIF | C24 H30 S3 | C 1 2/c 1 | 15.2751; 11.0342; 14.3941 90; 117.12; 90 | 2159.4 | Guo, Xin; Wang, Suhao; Enkelmann, Volker; Baumgarten, Martin; Müllen, Klaus Making benzotrithiophene a stronger electron donor. Organic letters, 2011, 13, 6062-6065 |
| 1502575 | CIF | C36 H54 S3 | C 1 2/c 1 | 15.639; 10.844; 19.8682 90; 104.266; 90 | 3265.54 | Guo, Xin; Wang, Suhao; Enkelmann, Volker; Baumgarten, Martin; Müllen, Klaus Making benzotrithiophene a stronger electron donor. Organic letters, 2011, 13, 6062-6065 |
| 1502589 | CIF | C22 H12 S2 | C 1 2/c 1 | 38.108; 3.8376; 21.281 90; 108.88; 90 | 2944.8 | Black, Hayden T.; Liu, Shubin; Ashby, Valerie Sheares Synthesis, crystal structures, and electronic properties of nonlinear fused thienoacene semiconductors. Organic letters, 2011, 13, 6492-6495 |
| 1502628 | CIF | C24 H27 Cl2 N3 O S | C 1 2/c 1 | 22.27; 11.0361; 19.418 90; 97.983; 90 | 4726.2 | Han, Minsoo; Nam, Kee Dal; Shin, Dongyun; Jeong, Nakcheol; Hahn, Hoh-Gyu Exploration of novel 2-alkylimino-1,3-thiazolines: T-type calcium channel inhibitory activity. Journal of combinatorial chemistry, 2010, 12, 518-530 |
| 1502629 | CIF | C30 H34 Cl N3 O2 S | C 1 2/c 1 | 38.497; 12.466; 11.636 90; 99.309; 90 | 5511 | Han, Minsoo; Nam, Kee Dal; Shin, Dongyun; Jeong, Nakcheol; Hahn, Hoh-Gyu Exploration of novel 2-alkylimino-1,3-thiazolines: T-type calcium channel inhibitory activity. Journal of combinatorial chemistry, 2010, 12, 518-530 |
| 1502634 | CIF | C22 H35 N3 O2.5 S0.5 | C 1 2/c 1 | 27.1869; 10.2149; 34.7688 90; 106.095; 90 | 9277.2 | Shaabani, Ahmad; Maleki, Ali; Hajishaabanha, Fatemeh; Mofakham, Hamid; Seyyedhamzeh, Mozhdeh; Mahyari, Mojtaba; Ng, Seik Weng Novel Syntheses of Tetrahydrobenzodiazepines and Dihydropyrazines via Isocyanide-Based Multicomponent Reactions of Diamines Journal of Combinatorial Chemistry, 2010, 12, 186 |
| 1502644 | CIF | C14 H18 N2 O | C 1 2/c 1 | 39.9096; 11.2986; 29.634 90; 131.752; 90 | 9969 | Wang, Xiang-Shan; Yang, Ke; Zhou, Jie; Tu, Shu-Jiang Facile Method for the Combinatorial Synthesis of 2,2-Disubstituted Quinazolin-4(1H)-one Derivatives Catalyzed by Iodine in Ionic Liquids Journal of Combinatorial Chemistry, 2010, 12, 417-421 |
| 1502648 | CIF | C22 H19 N3 O2 S | C 1 2/c 1 | 17.4388; 15.7401; 14.454 90; 105.718; 90 | 3819.1 | Soh, Chai Hoon; Lam, Yulin Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones. Journal of combinatorial chemistry, 2010, 12, 286-291 |
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