Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
| 1502404 | CIF | C40 H26 S8 | P -1 | 10.395; 11.2458; 15.6129 94.493; 107.09; 100.745 | 1696.66 | 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 |
| 1502405 | CIF | C36 H34 | P -1 | 9.9211; 11.141; 12.3491 87.69; 76.15; 84.828 | 1319.63 | 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 |
| 1502406 | CIF | C56 H42 | P 1 21/c 1 | 10.4203; 38.0328; 10.0996 90; 106.116; 90 | 3845.31 | 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 |
| 1502407 | CIF | C57 H44 Cl2 | P 1 21/c 1 | 10.2553; 20.286; 20.0538 90; 104.01; 90 | 4047.87 | 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 |
| 1502408 | CIF | C16 H19 N O4 | P 1 21/n 1 | 15.086; 6.17; 16.881 90; 105.94; 90 | 1510.9 | Dunlap, Norma; Lankford, Kevin R.; Pathiranage, Anuradha Liyana; Taylor, Jessica; Reddy, Nikhil; Gouger, Daniel; Singer, Phillip; Griffin, Kent; Reibenspies, Joseph Three-step synthesis of cyclopropyl peptidomimetics. Organic letters, 2011, 13, 4879-4881 |
| 1502409 | CIF | C120 H143.2 F24 N8 O30.6 P4 | P 1 21/n 1 | 22.05; 11.6489; 26.955 90; 108.028; 90 | 6583.7 | Niu, Zhenbin; Slebodnick, Carla; Gibson, Harry W. Pseudocryptand-type [3]pseudorotaxane and "hook-ring" polypseudo[2]catenane based on a bis(m-phenylene)-32-crown-10 derivative and bisparaquat derivatives. Organic letters, 2011, 13, 4616-4619 |
| 1502410 | CIF | C88 H97.72 F24 N11 O14.37 P4 | P -1 | 13.4807; 13.8068; 26.5793 92.123; 99.809; 98.463 | 4811.9 | Niu, Zhenbin; Slebodnick, Carla; Gibson, Harry W. Pseudocryptand-type [3]pseudorotaxane and "hook-ring" polypseudo[2]catenane based on a bis(m-phenylene)-32-crown-10 derivative and bisparaquat derivatives. Organic letters, 2011, 13, 4616-4619 |
| 1502411 | CIF | C32 H30 O14 | P 1 21 1 | 9.5327; 14.3362; 11.4665 90; 109.175; 90 | 1480.1 | Kikuchi, Haruhisa; Isobe, Masato; Sekiya, Mizuki; Abe, Yuko; Hoshikawa, Tsuyoshi; Ueda, Kazunori; Kurata, Shoichiro; Katou, Yasuhiro; Oshima, Yoshiteru Structures of the dimeric and monomeric chromanones, gonytolides A-C, isolated from the fungus Gonytrichum sp. and their promoting activities of innate immune responses. Organic letters, 2011, 13, 4624-4627 |
| 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 |
| 1502413 | CIF | C17 H22 O2 | P 21 21 21 | 7.1962; 9.5745; 21.0083 90; 90; 90 | 1447.47 | Ito, Yuji; Takahashi, Kazunori; Nagase, Hiromasa; Honda, Toshio Integral stereocontrolled synthesis of a spiro-norlignan, sequosempervirin A: revision of absolute configuration. Organic letters, 2011, 13, 4640-4643 |
| 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 |
| 1502415 | CIF | C50 H36 | P -1 | 5.9165; 15.54; 17.695 102.054; 92.986; 97.261 | 1573.1 | 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 |
| 1502416 | CIF | C41.5 H35.5 S12 | P -1 | 9.9898; 14.5484; 15.5784 93.462; 94.603; 101.437 | 2205.2 | Hasegawa, Masashi; Sone, Yasuto; Iwata, Seiya; Matsuzawa, Hideyo; Mazaki, Yasuhiro Tetrathiafulvalenylallene: a new class of donor molecules having strong chiroptical properties in neutral and doped states. Organic letters, 2011, 13, 4688-4691 |
| 1502417 | CIF | C16 H23 N O5 | C 1 c 1 | 14.7468; 5.0698; 21.3719 90; 100.896; 90 | 1569.03 | Cui, Sunliang; Wojtas, Lukasz; Antilla, Jon C. Pd-catalyzed C4-olefination of oxazoles via C-H bond activation: divergent synthesis of functionalized amino alcohol and amino acid derivatives. Organic letters, 2011, 13, 5040-5043 |
| 1502418 | CIF | C11 H10 Br F3 O4 | P 1 21/c 1 | 8.2071; 20.451; 8.7017 90; 119.334; 90 | 1273.3 | Hoque, Md Mahbubul; Miyamoto, Kazunori; Tada, Norihiro; Shiro, Motoo; Ochiai, Masahito Synthesis and structure of hypervalent diacetoxybromobenzene and aziridination of olefins with imino-λ3-bromane generated in situ under metal-free conditions. Organic letters, 2011, 13, 5428-5431 |
| 1502419 | CIF | C21 H23 N3 O4 | P 21 21 21 | 6.662; 10.282; 27.01 90; 90; 90 | 1850.15 | Sau, Míriam; Rodríguez-Escrich, Carles; Pericàs, Miquel A Copper-free intramolecular alkyne-azide cycloadditions leading to seven-membered heterocycles. Organic letters, 2011, 13, 5044-5047 |
| 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 |
| 1502421 | CIF | C23 H16 Cl2 O4 | P 1 21/c 1 | 11.1415; 18.793; 9.4189 90; 105.454; 90 | 1900.8 | Li, Yang; Cao, Rui; Lippard, Stephen J. Design and synthesis of a novel triptycene-based ligand for modeling carboxylate-bridged diiron enzyme active sites. Organic letters, 2011, 13, 5052-5055 |
| 1502422 | CIF | C47 H29 Cl15 N2 O8 | P -1 | 7.8242; 17.4981; 19.6551 100.75; 95.93; 92.897 | 2622.9 | Li, Yang; Cao, Rui; Lippard, Stephen J. Design and synthesis of a novel triptycene-based ligand for modeling carboxylate-bridged diiron enzyme active sites. Organic letters, 2011, 13, 5052-5055 |
| 1502423 | CIF | C66.5 H44 Cl3 F6 Fe2 N2 O17 S2 | P 21 21 21 | 15.8758; 20.1039; 21.5485 90; 90; 90 | 6877.5 | Li, Yang; Cao, Rui; Lippard, Stephen J. Design and synthesis of a novel triptycene-based ligand for modeling carboxylate-bridged diiron enzyme active sites. Organic letters, 2011, 13, 5052-5055 |
| 1502424 | CIF | C49 H49 Cl11 Cu2 N4 O16 | P -1 | 8.2013; 9.0211; 19.626 101.298; 92.107; 93.397 | 1419.6 | Jung, Hyo Sung; Han, Ji Hye; Kim, Zee Hwan; Kang, Chulhun; Kim, Jong Seung Coumarin-Cu(II) ensemble-based cyanide sensing chemodosimeter. Organic letters, 2011, 13, 5056-5059 |
| 1502425 | CIF | C29 H24 N2 O3 | P 21 21 21 | 9.768; 10.747; 22.023 90; 90; 90 | 2311.9 | Dong, Shunxi; Liu, Xiaohua; Zhang, Yulong; Lin, Lili; Feng, Xiaoming Asymmetric synthesis of 3,4-diaminochroman-2-ones promoted by guanidine and bisguanidium salt. Organic letters, 2011, 13, 5060-5063 |
| 1502426 | CIF | C29 H24 N2 O3 | P 21 21 21 | 11.19; 13.078; 16.013 90; 90; 90 | 2343.4 | Dong, Shunxi; Liu, Xiaohua; Zhang, Yulong; Lin, Lili; Feng, Xiaoming Asymmetric synthesis of 3,4-diaminochroman-2-ones promoted by guanidine and bisguanidium salt. Organic letters, 2011, 13, 5060-5063 |
| 1502427 | CIF | C24 H19 N O | P -1 | 8.9942; 9.2272; 12.0198 99.073; 104.225; 101.47 | 924.97 | Hong, Deng; Zhu, Yuanxun; Li, Yao; Lin, Xufeng; Lu, Ping; Wang, Yanguang Three-component synthesis of polysubstituted pyrroles from α-diazoketones, nitroalkenes, and amines. Organic letters, 2011, 13, 4668-4671 |
| 1502428 | CIF | C23 H20 N2 O3 | P n a 21 | 21.9909; 13.9411; 6.3316 90; 90; 90 | 1941.13 | Hong, Deng; Zhu, Yuanxun; Li, Yao; Lin, Xufeng; Lu, Ping; Wang, Yanguang Three-component synthesis of polysubstituted pyrroles from α-diazoketones, nitroalkenes, and amines. Organic letters, 2011, 13, 4668-4671 |
| 1502429 | CIF | C24 H17 N O | R -3 :H | 29.2867; 29.2867; 10.8321 90; 90; 120 | 8046.1 | Hong, Deng; Zhu, Yuanxun; Li, Yao; Lin, Xufeng; Lu, Ping; Wang, Yanguang Three-component synthesis of polysubstituted pyrroles from α-diazoketones, nitroalkenes, and amines. Organic letters, 2011, 13, 4668-4671 |
| 1502430 | CIF | C14 H18 N2 O2 | P 43 21 2 | 11.0581; 11.0581; 20.481 90; 90; 90 | 2504.4 | Pandey, Ganesh; C, Prasanna Kumara Iminium ion cascade reaction in the total synthesis of (+)-vincadifformine. Organic letters, 2011, 13, 4672-4675 |
| 1502431 | CIF | C54 H67 Br O10 | P 1 21/n 1 | 12.6266; 23.2738; 19.6457 90; 95.122; 90 | 5750.2 | Zhang, Zibin; Yu, Guocan; Han, Chengyou; Liu, Jiyong; Ding, Xia; Yu, Yihua; Huang, Feihe Formation of a cyclic dimer containing two mirror image monomers in the solid state controlled by van der Waals forces. Organic letters, 2011, 13, 4818-4821 |
| 1502432 | CIF | C57 H74 O11 | P n 21 a | 36.409; 11.5008; 12.1481 90; 90; 90 | 5086.8 | Zhang, Zibin; Yu, Guocan; Han, Chengyou; Liu, Jiyong; Ding, Xia; Yu, Yihua; Huang, Feihe Formation of a cyclic dimer containing two mirror image monomers in the solid state controlled by van der Waals forces. Organic letters, 2011, 13, 4818-4821 |
| 1502433 | CIF | C15 H13 F2 N O | P 1 21/c 1 | 9.9577; 13.8736; 8.9291 90; 96.997; 90 | 1224.36 | Lin, Riyuan; Ding, Shengtao; Shi, Zhuangzhi; Jiao, Ning An efficient difluorohydroxylation of indoles using selectfluor as a fluorinating reagent. Organic letters, 2011, 13, 4498-4501 |
| 1502434 | CIF | C18 H20 N2 O7 | P 21 21 21 | 8.857; 11.004; 19.2087 90; 90; 90 | 1872.13 | Shi, Feng; Luo, Shi-Wei; Tao, Zhong-Lin; He, Long; Yu, Jie; Tu, Shu-Jiang; Gong, Liu-Zhu The catalytic asymmetric 1,3-dipolar cycloaddition of ynones with azomethine ylides. Organic letters, 2011, 13, 4680-4683 |
| 1502435 | CIF | C128 H93 F4 N8 O25 | C 1 2 1 | 23.8735; 10.3412; 23.7886 90; 107.843; 90 | 5590.45 | Shi, Feng; Luo, Shi-Wei; Tao, Zhong-Lin; He, Long; Yu, Jie; Tu, Shu-Jiang; Gong, Liu-Zhu The catalytic asymmetric 1,3-dipolar cycloaddition of ynones with azomethine ylides. Organic letters, 2011, 13, 4680-4683 |
| 1502436 | CIF | C21 H19 N O2 S | P 1 21 1 | 11.6459; 4.9893; 16.0289 90; 109.236; 90 | 879.36 | Ingle, Gajendrasingh K.; Mormino, Michael G.; Wojtas, Lukasz; Antilla, Jon C. Chiral phosphoric acid-catalyzed addition of thiols to N-acyl imines: access to chiral N,S-acetals. Organic letters, 2011, 13, 4822-4825 |
| 1502437 | CIF | C32 H36 B N | P 1 21/c 1 | 18.568; 8.451; 16.951 90; 91.12; 90 | 2659.41 | Pan, Hong; Fu, Guang-Liang; Zhao, Yi-Hong; Zhao, Cui-Hua Through-space charge-transfer emitting biphenyls containing a boryl and an amino group at the o,o'-positions. Organic letters, 2011, 13, 4830-4833 |
| 1502438 | CIF | C80 H94 Cl9 N7 O7 | P -1 | 12.3795; 16.3654; 21.5944 91.21; 94.228; 112.025 | 4039 | Dzyuba, Egor V.; Kaufmann, Lena; Löw, Nora L; Meyer, Annika K.; Winkler, Henrik D. F.; Rissanen, Kari; Schalley, Christoph A. CH···O hydrogen bonds in "clicked" diketopiperazine-based amide rotaxanes. Organic letters, 2011, 13, 4838-4841 |
| 1502439 | CIF | C32 H25 F O4 | C 1 c 1 | 25.2131; 10.2122; 9.6812 90; 92.312; 90 | 2490.7 | Fang, Xinqiang; Chen, Xingkuan; Chi, Yonggui Robin Enantioselective Diels-Alder reactions of enals and alkylidene diketones catalyzed by N-heterocyclic carbenes. Organic letters, 2011, 13, 4708-4711 |
| 1502440 | CIF | C11 H9 Cl O4 | P 1 21/c 1 | 12.535; 8.525; 10.325 90; 97.507; 90 | 1093.9 | Bigovic, Miljan; Maslak, Veselin; Tokic-Vujosevic, Zorana; Divjakovic, Vladimir; Saicic, Radomir N. A useful synthetic equivalent of a hydroxyacetone enolate. Organic letters, 2011, 13, 4720-4723 |
| 1502441 | CIF | C17 H22 O12 | P 21 21 21 | 8.3121; 8.8281; 27.683 90; 90; 90 | 2031.4 | Bigovic, Miljan; Maslak, Veselin; Tokic-Vujosevic, Zorana; Divjakovic, Vladimir; Saicic, Radomir N. A useful synthetic equivalent of a hydroxyacetone enolate. Organic letters, 2011, 13, 4720-4723 |
| 1502442 | CIF | C15 H23 N O7 | P 1 21 1 | 6.458; 10.738; 12.738 90; 102.324; 90 | 863 | Bigovic, Miljan; Maslak, Veselin; Tokic-Vujosevic, Zorana; Divjakovic, Vladimir; Saicic, Radomir N. A useful synthetic equivalent of a hydroxyacetone enolate. Organic letters, 2011, 13, 4720-4723 |
| 1502443 | CIF | C30 H47 N2 O14.5 | P 1 21 1 | 8.257; 12.014; 9.095 90; 104.18; 90 | 874.7 | Bigovic, Miljan; Maslak, Veselin; Tokic-Vujosevic, Zorana; Divjakovic, Vladimir; Saicic, Radomir N. A useful synthetic equivalent of a hydroxyacetone enolate. Organic letters, 2011, 13, 4720-4723 |
| 1502444 | CIF | C90 H72 Br4 N12 O11 | P 1 21 1 | 11.1402; 8.2454; 22.881 90; 99.42; 90 | 2073.4 | Lan, Yu-Bao; Zhao, Hua; Liu, Zhao-Min; Liu, Guo-Gui; Tao, Jing-Chao; Wang, Xing-Wang Chiral counteranion synergistic organocatalysis under high temperature: efficient construction of optically pure spiro[cyclohexanone-oxindole] backbone. Organic letters, 2011, 13, 4866-4869 |
| 1502445 | CIF | C22 H26 N O3 P | P 1 21/c 1 | 21.7595; 5.8572; 15.7081 90; 97.045; 90 | 1986.9 | DeKorver, Kyle A.; Walton, Mary C.; North, Troy D.; Hsung, Richard P. Introducing a new class of N-phosphoryl ynamides via Cu(I)-catalyzed amidations of alkynyl bromides. Organic letters, 2011, 13, 4862-4865 |
| 1502446 | CIF | C23 H28 N O3 P | P 1 21/c 1 | 17.2125; 13.291; 9.4159 90; 94.299; 90 | 2148 | DeKorver, Kyle A.; Walton, Mary C.; North, Troy D.; Hsung, Richard P. Introducing a new class of N-phosphoryl ynamides via Cu(I)-catalyzed amidations of alkynyl bromides. Organic letters, 2011, 13, 4862-4865 |
| 1502447 | CIF | C23 H28 N O3 P | P 1 | 5.8722; 9.695; 9.999 109.909; 93.647; 97.854 | 526.49 | DeKorver, Kyle A.; Walton, Mary C.; North, Troy D.; Hsung, Richard P. Introducing a new class of N-phosphoryl ynamides via Cu(I)-catalyzed amidations of alkynyl bromides. Organic letters, 2011, 13, 4862-4865 |
| 1502448 | CIF | C27 H23 N5 O2 | P -1 | 10.5529; 10.6825; 11.6653 112.531; 95.396; 108.115 | 1119.91 | Zibinsky, Mikhail; Fokin, Valery V. Reactivity of N-(1,2,4-triazolyl)-substituted 1,2,3-triazoles. Organic letters, 2011, 13, 4870-4872 |
| 1502449 | CIF | C6 H12 N2 O4 S2 | P 21 21 21 | 6.6019; 7.9218; 18.1666 90; 90; 90 | 950.09 | Woolven, Holly; González-Rodríguez, Carlos; Marco, Isabel; Thompson, Amber L.; Willis, Michael C. DABCO-bis(sulfur dioxide), DABSO, as a convenient source of sulfur dioxide for organic synthesis: utility in sulfonamide and sulfamide preparation. Organic letters, 2011, 13, 4876-4878 |
| 1502450 | CIF | C24 H24 N2 O8 | P 1 21 1 | 11.367; 9.0168; 11.449 90; 94.36; 90 | 1170.1 | Yin, Biao-Lin; Zhang, Ze-Ren; Xu, Li-Wen; Jiang, Huanfeng Highly facialselective synthesis of pyranose 1,3-oxazines and their ring opening with nucleophiles: a novel entry to 2-C-branched glycosides. Organic letters, 2011, 13, 5088-5091 |
| 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 |
| 1502452 | CIF | C18 H6 F4 N2 O | P 1 21/c 1 | 4.8422; 12.266; 22.2 90; 91.512; 90 | 1318.1 | Mamada, Masashi; Pérez-Bolívar, César; Anzenbacher, Jr, Pavel Green synthesis of polycyclic benzimidazole derivatives and organic semiconductors. Organic letters, 2011, 13, 4882-4885 |
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