Crystallography Open Database
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Searching journal of publication like 'Journal of Organic Chemistry'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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4037663 | CIF | C2 H5 N O2 | P 32 | 7.0145; 7.0145; 5.4826 90; 90; 120 | 233.62 | Brunner, Henri; Tsuno, Takashi; Balázs, Gábor Chiral Selectivity in the Achiral Amino Acid Glycine. The Journal of organic chemistry, 2019 |
4037662 | CIF | C2 H5 N O2 | P 31 | 7.0167; 7.0167; 5.4894 90; 90; 120 | 234.06 | Brunner, Henri; Tsuno, Takashi; Balázs, Gábor Chiral Selectivity in the Achiral Amino Acid Glycine. The Journal of organic chemistry, 2019 |
4036254 | CIF | C11 H14 O3 | P 1 | 5.8748; 6.6516; 7.3831 67.621; 84.526; 66.767 | 244.64 | Mostinski, Yelena; Valerio, Viviana; Lankri, David; Tsvelikhovsky, Dmitry Synthesis of Tricyclic Spiranoid Lactones via I2/Sm(II)- and I2/Pd(0)-Mediated Cyclizations of a Common Cycloalkylmethylene Precursor. The Journal of organic chemistry, 2015, 80, 10464-10473 |
4033701 | CIF | C7 H5 Cl3 O4 | P -1 | 5.8299; 6.6662; 7.1505 102.337; 112.745; 95.285 | 245.61 | Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids. The Journal of organic chemistry, 2019, 84, 2448-2461 |
4029008 | CIF | C7 H14 Cl2 O2 | P 1 | 5.0136; 5.3946; 9.3077 84.817; 82.484; 80.657 | 245.65 | Swatschek, Jörg; Grothues, Lydia; Bauer, Jonathan O.; Strohmann, Carsten; Christmann, Mathias A Formal, One-Pot β-Chlorination of Primary Alcohols and Its Utilization in the Transformation of Terpene Feedstock and the Synthesis of a C2-Symmetrical Terminal Bis-Epoxide. The Journal of organic chemistry, 2014, 79, 976 |
4026067 | CIF | C2 H4 O | P 1 21/n 1 | 4.633; 8.4; 6.577 90; 100.37; 90 | 251.8 | Simon Grabowsky; Tanja Schirmeister; Carsten Paulmann; Thomas Pfeuffer; Peter Luger Effect of Electron-Withdrawing Substituents on the Epoxide Ring: An Experimental and Theoretical Electron Density Analysis of a Series of Epoxide Derivatives Journal of Organic Chemistry, 2011, 76, 1305-1318 |
4021477 | CIF | C10 H17 N O | P 1 | 6.2686; 8.196; 6.084 111.81; 101.01; 110.62 | 252.3 | Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations Journal of Organic Chemistry, 2006, 71, 1430-1435 |
4028709 | CIF | C10 H16 O5 | P 1 | 6.0447; 6.9522; 7.2801 72.905; 71.641; 69.728 | 266.45 | Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues Journal of Organic Chemistry, 2013, 78, 10784-10801 |
4027001 | CIF | C11 H17 N O3 | P 1 | 5.8915; 6.4911; 8.4228 107.971; 101.168; 105.691 | 281.14 | Adele E. Pasqua; James J. Crawford; De-Liang Long; Rodolfo Marquez Protecting Group Free, Stereocontrolled Synthesis of β-Halo-enamides Journal of Organic Chemistry, 2012, 77, 2149-2158 |
4026855 | CIF | C16 H16 O | P -1 | 5.7182; 5.9604; 8.6336 96.773; 92.481; 99.717 | 287.41 | Prasad Ganji; Hasim Ibrahim Deoxygenation of Hydroquinones as a General Route to Norbornane-Fused Aromatic Systems: An Entry into Substituted and Functionalized Dimethano- and Methanoanthracenes Journal of Organic Chemistry, 2012, 77, 511-518 |
4038248 | CIF | C3 H3 Br N2 O3 | P 1 21 1 | 6.849; 6.272; 7.042 90; 106.901; 90 | 289.4 | Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko Synthesis and Synthetic Application of Chloro- and Bromofuroxans. The Journal of organic chemistry, 2020, 85, 5959-5972 |
4022252 | CIF | C5 H5 N3 O2 | P 1 21/m 1 | 3.777; 9.4807; 8.2024 90; 98.348; 90 | 290.604 | Gary W. Breton; Kenneth L. Martin Are 1,2-Dihydrodiazetes Aromatic? An Experimental and Computational Investigation Journal of Organic Chemistry, 2002, 67, 6699-6704 |
4038891 | CIF | C5 H3 Cl N4 | P 1 21/m 1 | 6.9527; 6.30259; 7.5416 90; 114.963; 90 | 299.6 | Korsik, Marat; Tse, Edwin; Smith, David G.; Lewis, William; Rutledge, Peter J.; Todd, Matthew H. Tele-substitution Reactions in the Synthesis of a Promising Class of 1,2,4-Triazolo[4,3-a]pyrazine-Based Antimalarials. The Journal of organic chemistry, 2020 |
4038101 | CIF | C4 H9 N O2 S | P 1 21/m 1 | 5.4761; 8.8259; 6.3408 90; 101.156; 90 | 300.67 | Blahun, Oleksandr P.; Rozhenko, Alexander B.; Rusanov, Eduard; Zhersh, Serhii; Tolmachev, Andrey A.; Volochnyuk, Dmitriy M.; Grygorenko, Oleksandr O. Twisting and turning the sulfonamide bond: synthetic, quantum chemical and crystallographic study. The Journal of organic chemistry, 2020 |
4037661 | CIF | C2 H5 N O2 | P 1 21/n 1 | 5.0931; 11.8467; 5.4611 90; 111.883; 90 | 305.76 | Brunner, Henri; Tsuno, Takashi; Balázs, Gábor Chiral Selectivity in the Achiral Amino Acid Glycine. The Journal of organic chemistry, 2019 |
4020583 | CIF | C6 H4 Br N O | P 1 21 1 | 6.436; 3.8375; 12.878 90; 104.65; 90 | 307.7 | Ivan Halasz; Ernest Meštrović; Helena Čičak; Zlatko Mihalić; Hrvoj Vančik Solid-State Reaction Mechanisms in Monomer-Dimer Interconversions of p-Bromonitrosobenzene. Single-Crystal-to-Single-Crystal Photodissociation and Formation of New Non-van der Waals Close Contacts Journal of Organic Chemistry, 2005, 70, 8461-8467 |
4039010 | CIF HKL | C16 H17 O2 | P -1 | 3.9361; 8.1328; 10.09 103.215; 98.917; 94.489 | 308.46 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
4029898 | CIF | C4 H4 N6 O2 | P 1 21/c 1 | 9.1187; 5.06264; 6.6952 90; 91.508; 90 | 308.97 | Vo, Hoa-Lan; Arthur, Jordan L.; Capdevila-Cortada, Marçal; Lapidus, Saul H.; Stephens, Peter W.; Novoa, Juan J.; Arif, Atta M.; Nagi, Ramneet K.; Bartl, Michael H.; Miller, Joel S. Structure and Properties of Nitrogen-Rich 1,4-Dicyanotetrazine, C4N6: A Comparative Study with Related Tetracyano Electron Acceptors. The Journal of organic chemistry, 2014, 79, 8189-8201 |
4027304 | CIF | C14 H4 F6 N4 | P -1 | 4.693; 8.435; 8.485 103.867; 102.721; 99.713 | 309.3 | Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade 1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials Journal of Organic Chemistry, 2012, 77, 6107-6116 |
4034706 | CIF | C5 H3 F2 N O3 | P -1 | 5.093; 5.618; 11.155 84.307; 83.682; 78.046 | 309.4 | Chalyk, Bohdan A.; Khutorianskyi, Andrii; Lysenko, Andrii; Fil, Yulia; Kuchkovska, Yuliya O.; Gavrilenko, Konstantin S.; Bakanovych, Iulia; Moroz, Yurii S.; Gorlova, Alina O.; Grygorenko, Oleksandr O. Regioselective Synthesis of Functionalized 3- or 5-Fluoroalkyl Isoxazoles and Pyrazoles from Fluoroalkyl Ynones and Binucleophiles. The Journal of organic chemistry, 2019 |
4039025 | CIF HKL | C6 H10 N4 | P 1 21/c 1 | 7.7694; 5.5029; 7.4694 90; 101.064; 90 | 313.41 | Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds Journal of Organic Chemistry, 2023, 88, 16302-16314 |
4027647 | CIF | C6 H7 N3 O | P -1 | 5.6718; 7.7144; 8.1495 68.847; 80.1; 71.118 | 314.04 | Borys Ośmiałowski; Erkki Kolehmainen; Satu Ikonen; Arto Valkonen; Adam Kwiatkowski; Izabela Grela; Esa Haapaniemi 2-Acylamino- and 2,4-Bis(acylamino)pyrimidines as Supramolecular Synthons Analyzed by Multiple Noncovalent Interactions. DFT, X-ray Diffraction, and NMR Spectral Studies Journal of Organic Chemistry, 2012, 77, 9609-9619 |
4038750 | CIF | C4 H8 Cl F2 N | P -1 | 6.0157; 7.4732; 7.6279 106.605; 105.053; 91.961 | 315.16 | Chernykh, Anton V.; Olifir, Oleksandr S.; Kuchkovska, Yuliya O.; Volochnyuk, Dmitriy M.; Yarmolchuk, Vladimir S.; Grygorenko, Oleksandr O. Fluoroalkyl-Substituted Cyclopropane Derivatives: Synthesis and Physicochemical Properties. The Journal of organic chemistry, 2020, 85, 12692-12702 |
4027860 | CIF | C11 H19 N3 O3 | P 1 | 5.7004; 7.3619; 8.3143 108.938; 90.932; 104.803 | 317.19 | Jesus M. Aizpurua; Claudio Palomo; Eva Balentová; Azucena Jimenez; Elena Andreieff; Maialen Sagartzazu-Aizpurua; José Ignacio Miranda; Anthony Linden Chirality-Driven Folding of Short β-Lactam Pseudopeptides Journal of Organic Chemistry, 2013, 78, 224-237 |
4033602 | CIF | C4 H8 Cl F2 N | P m n 21 | 6.0161; 7.0221; 7.62 90; 90; 90 | 321.91 | Chernykh, Anton V.; Melnykov, Kostiantyn P.; Tolmacheva, Nataliya A.; Kondratov, Ivan S.; Radchenko, Dmytro S.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.; Kuchkovska, Yuliya O.; Grygorenko, Oleksandr O. Last of the gem-Difluorocycloalkanes: Synthesis and Characterization of 2,2-Difluorocyclobutyl-Substituted Building Blocks. The Journal of organic chemistry, 2019, 84, 8487-8496 |
4020082 | CIF | C6 H6 N4 | P 1 21/n 1 | 4.966; 9.84; 6.919 90; 107.73; 90 | 322.1 | Yasushi Morita; Tsuyoshi Murata; Kozo Fukui; Satoru Yamada; Kazunobu Sato; Daisuke Shiomi; Takeji Takui; Hiroshi Kitagawa; Hideki Yamochi; Gunzi Saito; Kazuhiro Nakasuji Hydrogen-Bonded Networks in Organic Conductors: Crystal Structures and Electronic Properties of Charge-Transfer Salts of Tetracyanoquinodimethane with 4,4'-Biimidazolium having Multi Protonated States Journal of Organic Chemistry, 2005, 70, 2739-2744 |
4035385 | CIF | C5 H5 B F3 N O | P -1 | 4.59803; 7.913; 9.0802 99.351; 93.072; 93.314 | 324.77 | Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization. The Journal of organic chemistry, 2018, 83, 9103-9118 |
4026675 | CIF | C8 H4 N2 O2 | P 1 21/c 1 | 7.331; 3.716; 12.129 90; 98.475; 90 | 326.8 | Brian C. Tlach; Aimée L. Tomlinson; Achala Bhuwalka; Malika Jeffries-EL Tuning the Optical and Electronic Properties of 4,8-Disubstituted Benzobisoxazoles via Alkyne Substitution Journal of Organic Chemistry, 2011, 76, 8670-8681 |
4025805 | CIF | C16 H20 O2 | P -1 | 6.436; 7.537; 7.554 71.507; 87.585; 71.475 | 328.8 | Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials Journal of Organic Chemistry, 2010, 75, 7682-7690 |
4024150 | CIF | C7 H5 N O S | P 1 21 1 | 4.3258; 8.982; 8.4721 90; 90.594; 90 | 329.16 | Medha N. Kamat; Nigam P. Rath; Alexei V. Demchenko Versatile Synthesis and Mechanism of Activation of S-Benzoxazolyl Glycosides Journal of Organic Chemistry, 2007, 72, 6938-6946 |
4037922 | CIF | C7 H7 N O3 | P -1 | 3.7878; 9.6277; 10.3407 63.995; 84.352; 80.203 | 333.86 | Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G. Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products. The Journal of organic chemistry, 2020 |
4020447 | CIF | C6 H6 N2 O3 | P -1 | 7.2232; 7.5093; 7.8888 107.757; 103.321; 115.075 | 335.49 | Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H. Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins Journal of Organic Chemistry, 2005, 70, 6369-6377 |
4022058 | CIF | C9 H5 N | P -1 | 3.8203; 8.8878; 10.3102 104.261; 92.738; 92.274 | 338.42 | Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H) Journal of Organic Chemistry, 2006, 71, 8541-8544 |
4030028 | CIF | C15 H14 Br N O4 | P 1 | 6.283; 7.551; 8.088 93.44; 106.67; 109.007 | 342.5 | Kohari, Yoshihito; Okuyama, Yuko; Kwon, Eunsang; Furuyama, Taniyuki; Kobayashi, Nagao; Otuki, Teppei; Kumagai, Jun; Seki, Chigusa; Uwai, Koji; Dai, Gang; Iwasa, Tatsuo; Nakano, Hiroto Enantioselective Diels-Alder Reaction of 1,2-Dihydropyridines with Aldehydes Using β-Amino Alcohol Organocatalyst. The Journal of organic chemistry, 2014, 79, 9500-9511 |
4037924 | CIF | C8 H7 N O2 | P -1 | 6.5474; 7.2418; 7.6043 77.401; 85.073; 78.699 | 344.7 | Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G. Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products. The Journal of organic chemistry, 2020 |
4036030 | CIF | C7 H6 N2 O3 | P -1 | 3.7834; 9.5523; 10.0933 80.562; 80.636; 80.13 | 351.09 | Rizzo, Antonio; Mayer, Robert J.; Trauner, Dirk Biomimetic Approach Toward Enterocin and Deoxyenterocin. The Journal of organic chemistry, 2019, 84, 1162-1175 |
4038096 | CIF | C7 H12 O3 | P -1 | 5.9092; 7.1583; 9.1902 92.766; 105.442; 108.026 | 352.68 | Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol. The Journal of organic chemistry, 2020, 85, 4813-4837 |
4035860 | CIF | C6 H5 Cl N4 | P 1 21/c 1 | 3.9913; 6.7117; 13.3807 90; 97.162; 90 | 355.65 | Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds. The Journal of organic chemistry, 2018, 83, 6334-6353 |
4022651 | CIF | C5 H5 N2 Na O4 | P -1 | 3.5647; 10.192; 10.679 109.196; 98.77; 95.216 | 357.98 | LeRoy W. Haynes; Virginia B. Pett Structures of the Intermediates Formed in the Ring-Opening Reaction of 2-Chloro-3-nitropyridine Journal of Organic Chemistry, 2007, 72, 633-635 |
4032148 | CIF | C10 H12 N2 O8 S2 | P -1 | 6.8561; 7.0999; 7.969 70.08; 88.026; 79.211 | 358.08 | Guo, Ya-Fei; Mahmood, Sajid; Xu, Bao-Hua; Yao, Xiao-Qian; He, Hong-Yan; Zhang, Suo-Jiang Oxidation of Aromatic Aldehydes to Esters: A Sulfate Radical Redox System. The Journal of organic chemistry, 2017, 82, 1591-1599 |
4021940 | CIF | C14 H26 N4 | P -1 | 4.8595; 6.1554; 12.589 83.486; 88.86; 74.263 | 360.09 | Takashi Mino; Yoshiaki Shirae; Yousuke Sasai; Masami Sakamoto; Tsutomu Fujita Phosphine-Free Palladium Catalyzed Mizoroki-Heck Reaction Using Hydrazone as a Ligand Journal of Organic Chemistry, 2006, 71, 6834-6839 |
4034360 | CIF | C6 H9 F3 O3 | P 1 21 1 | 5.0898; 7.4264; 9.842 90; 102.18; 90 | 363.64 | Quiquempoix, Lucas; Wang, Zhong; Graton, Jérôme; Latchem, Peter G.; Light, Mark; Le Questel, Jean-Yves; Linclau, Bruno Synthesis of 2,3,4-Trideoxy-2,3,4-trifluoroglucose. The Journal of organic chemistry, 2019, 84, 5899-5906 |
4025110 | CIF | C9 H8 Cl | P -1 | 5.684; 8.214; 8.368 71.037; 82.51; 82.59 | 364.8 | Taigo Kashiwabara; Kouichirou Fuse; Takeshi Muramatsu; Masato Tanaka Synthesis of 1,4-Dichloro-1,3-butadienes by Rhodium Complex Catalyzed Reaction of Terminal Alkynes with Trichloroacetyl Chloride Journal of Organic Chemistry, 2009, 74, 9433-9439 |
4025991 | CIF | C9 H8 N2 O | P 1 21 1 | 3.883; 13.708; 6.933 90; 96.545; 90 | 366.6 | Annamária Molnár; Zoltán Mucsi; Gábor Vlád; Kálmán Simon; Tamás Holczbauer; Benjámin Podányi; Ferenc Faigl; István Hermecz Ring Transformation of Unsaturated N-Bridgehead Fused Pyrimidin-4(3H)-ones: Role of Repulsive Electrostatic Nonbonded Interaction Journal of Organic Chemistry, 2011, 76, 696-699 |
4027307 | CIF | C16 H4 F10 N4 | P -1 | 4.881; 7.116; 10.683 86.323; 83.458; 88.653 | 367.8 | Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade 1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials Journal of Organic Chemistry, 2012, 77, 6107-6116 |
4032789 | CIF | C6 H9 N3 O2 | C 1 m 1 | 7.693; 6.6662; 7.3655 90; 101.9; 90 | 369.608 | Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles. The Journal of organic chemistry, 2017, 82, 8864-8872 |
4025173 | CIF | C8 H4 N2 S2 | P 1 21/n 1 | 3.8605; 16.025; 6.053 90; 92.31; 90 | 374.2 | Jared F. Mike; Jeremy J. Inteman; Arkady Ellern; Malika Jeffries-EL Facile Synthesis of 2,6-Disubstituted Benzobisthiazoles: Functional Monomers for the Design of Organic Semiconductors Journal of Organic Chemistry, 2010, 75, 495-497 |
4021901 | CIF | C6 H6 O3 S2 | P -1 | 4.811; 7.525; 10.678 83.007; 85.592; 78.525 | 375.5 | Nicolas Eghbali; D. Scott Bohle; David N. Harpp Synthesis of New Cyclic Dialkoxy Disulfides Journal of Organic Chemistry, 2006, 71, 6659-6661 |
4032147 | CIF | H8 N2 O8 S2 | P 1 21/n 1 | 6.1336; 7.936; 7.765 90; 94.959; 90 | 376.56 | Guo, Ya-Fei; Mahmood, Sajid; Xu, Bao-Hua; Yao, Xiao-Qian; He, Hong-Yan; Zhang, Suo-Jiang Oxidation of Aromatic Aldehydes to Esters: A Sulfate Radical Redox System. The Journal of organic chemistry, 2017, 82, 1591-1599 |
4037921 | CIF | C8 H9 N O3 | P -1 | 3.8928; 9.3628; 10.7006 81.053; 83.731; 79.026 | 376.94 | Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G. Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products. The Journal of organic chemistry, 2020 |
4025691 | CIF | C6 H12 O4 S | P 1 21 1 | 4.8443; 8.1458; 9.669 90; 94.02; 90 | 380.61 | Thanikachalam Gunasundari; Srinivasan Chandrasekaran Enantioselective and Protecting Group-Free Synthesis of 1-Deoxythionojirimycin, 1-Deoxythiomannojirimycin, and 1-Deoxythiotalonojirimycin Journal of Organic Chemistry, 2010, 75, 6685-6688 |
4027314 | CIF | C14 Cl4 F6 N4 | P -1 | 5.101; 7.908; 9.882 80.425; 82.339; 76.7 | 380.7 | Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade 1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials Journal of Organic Chemistry, 2012, 77, 6107-6116 |
4025806 | CIF | C18 H24 O2 | P -1 | 6.849; 8.04; 8.248 70.981; 67.81; 68.179 | 381.2 | Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials Journal of Organic Chemistry, 2010, 75, 7682-7690 |
4037918 | CIF | C8 H9 N O3 | P -1 | 6.9199; 7.5328; 7.9552 96.283; 97.67; 109.017 | 383.32 | Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G. Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products. The Journal of organic chemistry, 2020 |
4036660 | CIF | C6 H6 N O5 P | P -1 | 7.462; 7.805; 8.031 68.53; 63.42; 88.31 | 384.2 | Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł Structural Analogues of Selfotel. The Journal of organic chemistry, 2016, 81, 4947-4954 |
4036649 | CIF | C8 H10 N2 | P -1 | 4.1693; 8.687; 10.729 95.442; 90.247; 95.864 | 384.78 | Kerisit, Nicolas; Rouxel, Cédric; Colombel-Rouen, Sophie; Toupet, Loïc; Guillemin, Jean-Claude; Trolez, Yann Synthesis, Chemistry, and Photochemistry of Methylcyanobutadiyne in the Context of Space Science. The Journal of organic chemistry, 2016, 81, 3560-3567 |
4036211 | CIF | C14 H22 O8 | P 1 | 6.098; 7.378; 9.239 106.18; 100.896; 96.42 | 386 | Blade, Helen; Bradley, Derek; Diorazio, Louis; Evans, Timothy; Hayter, Barry R.; Howell, Gareth P. Modular Synthesis of Constrained Ethyl (cEt) Purine and Pyrimidine Nucleosides. The Journal of organic chemistry, 2015, 80, 5337-5343 |
4021836 | CIF | C17 H23 N O4 | P 1 | 5.502; 6.094; 12.278 95.19; 91.88; 108.79 | 387.3 | Sk. Sahabuddin; Ashim Roy; Michael G. B. Drew; Biswajit Gopal Roy; Basudeb Achari; Sukhendu B. Mandal Sequential Ring-Closing Metathesis and Nitrone Cycloaddition on Glucose-Derived Substrates: A Divergent Approach to Analogues of Spiroannulated Carbanucleosides and Conformationally Locked Nucleosides Journal of Organic Chemistry, 2006, 71, 5980-5992 |
4027223 | CIF | C10 H8 O2 | P 1 21 1 | 4.05; 16.162; 5.946 90; 94.298; 90 | 388.1 | Veerababurao Kavala; Cheng-Chuan Wang; Deepak Kumar Barange; Chun-Wei Kuo; Po-Min Lei; Ching-Fa Yao Synthesis of Isocoumarin Derivatives via the Copper-Catalyzed Tandem Sequential Cyclization of 2- Halo-N-phenyl Benzamides and Acyclic 1,3-Diketones Journal of Organic Chemistry, 2012, 77, 5022-5029 |
4022453 | CIF | C18 H14 O2 S2 | P -1 | 3.929; 10.038; 11.006 114.32; 92.99; 92.9 | 393.8 | Pierre Frère; Jean-Manuel Raimundo; Philippe Blanchard; Jacques Delaunay; Pascal Richomme; Jean-Louis Sauvajol; Jesus Orduna; Javier Garin; Jean Roncali Effect of Local Molecular Structure on the Chain-Length Dependence of the Electronic Properties of Thiophene-Based π-Conjugated Systems Journal of Organic Chemistry, 2003, 68, 7254-7265 |
4027546 | CIF | C6 H6 B I O2 | P -1 | 4.9134; 7.2588; 11.1904 93.4364; 92.2282; 95.7291 | 396 | Nicolas Gernigon; Raed M. Al-Zoubi; Dennis G. Hall Direct Amidation of Carboxylic Acids Catalyzed byortho-Iodo Arylboronic Acids: Catalyst Optimization, Scope, and Preliminary Mechanistic Study Supporting a Peculiar Halogen Acceleration Effect Journal of Organic Chemistry, 2012, 77, 8386-8400 |
4024218 | CIF | C7 H3 I N4 | P 1 21 1 | 4.3247; 6.9071; 13.3984 90; 97.715; 90 | 396.6 | Ghenia Bentabed-Ababsa; Fernando Blanco; Aïcha Derdour; Florence Mongin; François Trécourt; Guy Quéguiner; Rafael Ballesteros; Belén Abarca Deprotonative Magnesation and Cadmation of [1,2,3]Triazolo[1,5-a]pyridines Journal of Organic Chemistry, 2009, 74, 163-169 |
4024387 | CIF | C13 H20 Br2 O5 | P 1 | 5.5066; 8.4345; 9.5074 64.62; 89.601; 89.365 | 398.93 | D. Christopher Braddock; David S. Millan; Yolanda Pérez-Fuertes; Rebecca H. Pouwer; Richard N. Sheppard; Savade Solanki; Andrew J. P. White Bromonium Ion Induced Transannular Oxonium Ion Formation-Fragmentation in Model Obtusallene Systems and Structural Reassignment of Obtusallenes V-VII Journal of Organic Chemistry, 2009, 74, 1835-1841 |
4026344 | CIF | C7 H5 Br N2 S | P -1 | 5.992; 7.978; 9.542 67.835; 71.955; 77.75 | 399.3 | Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions Journal of Organic Chemistry, 2011, 76, 4444-4456 |
4029353 | CIF | C7 H6 N4 S | P -1 | 3.8592; 8.4044; 12.5408 87.517; 85.342; 81.578 | 400.83 | Koyioni, Maria; Manoli, Maria; Manolis, Manos J.; Koutentis, Panayiotis A. Reinvestigating the Reaction of 1H-Pyrazol-5-amines with 4,5-Dichloro-1,2,3-dithiazolium Chloride: A Route to Pyrazolo[3,4-c]isothiazoles and Pyrazolo[3,4-d]thiazoles. The Journal of organic chemistry, 2014, 79, 4025-4037 |
4036645 | CIF | C8 H8 O S2 | P -1 | 6.8851; 7.9251; 8.1801 85.683; 89.92; 64.419 | 401.21 | Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J. Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination. The Journal of organic chemistry, 2016, 81, 3214-3226 |
4022972 | CIF | C8 H8 O5 | P 1 21/m 1 | 7.678; 6.5331; 8.0416 90; 94.255; 90 | 402.26 | Jinhua Song; Yi Xiong Lei; Zvi Rappoport The First Solid Enols of Anhydrides. Structure, Properties, and Enol/Anhydride Equilibria Journal of Organic Chemistry, 2007, 72, 9152-9162 |
4028172 | CIF | C8 H9 N3 O | P -1 | 6.7751; 7.1451; 8.7889 76.749; 76.821; 83.472 | 402.38 | Yu-Chiao Shih; Ya-Ying Yang; Chun-Chi Lin; Tun-Cheng Chien Synthesis of 6-Alkyluridines from 6-Cyanouridine via Zinc(II) Chloride-Catalyzed Nucleophilic Substitution with Alkyl Grignard Reagents Journal of Organic Chemistry, 2013, 78, 4027-4036 |
4024565 | CIF | C6 H12 Cl N O3 | P 1 21 1 | 5.7387; 10.1683; 7.2104 90; 106.152; 90 | 404.14 | Benson J. Edagwa; Carol M. Taylor Peptides Containing γ,δ-Dihydroxy-l-leucine Journal of Organic Chemistry, 2009, 74, 4132-4136 |
4036771 | CIF | C13 H25 Br O4 | P 1 | 6.0963; 8.7014; 8.705 66.516; 73.36; 87.831 | 404.25 | Malassis, Julien; Bartlett, Nathan; Hands, Kane; Selby, Matthew D.; Linclau, Bruno Total Synthesis of (-)-Luminacin D. The Journal of organic chemistry, 2016, 81, 3818-3837 |
4032475 | CIF | C6 N6 S3 | P m n 21 | 14.218; 3.651; 7.7954 90; 90; 90 | 404.66 | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State. The Journal of organic chemistry, 2017 |
4022267 | CIF | C8 H8 N2 S | P -1 | 6.8858; 7.7556; 8.0654 72.509; 80.435; 87.671 | 405.08 | Don D. Kenning; Kari A. Mitchell; Tessa R. Calhoun; Melanie R. Funfar; Daniel J. Sattler; Seth C. Rasmussen Thieno[3,4-b]pyrazines: Synthesis, Structure, and Reactivity Journal of Organic Chemistry, 2002, 67, 9073-9076 |
4021371 | CIF | C7 H13 N O4 | P 1 21/m 1 | 6.3437; 6.455; 10.061 90; 98.465; 90 | 407.52 | Cheol-Min Park Concise Synthesis of 3,7-Dioxa-9-aza-bicyclo[3,3,1]-nonane Journal of Organic Chemistry, 2006, 71, 413-415 |
4035179 | CIF | C22 H16 N2 O | P 1 | 5.3633; 9.1569; 9.3749 115.199; 93.554; 98.472 | 408.03 | Kumar, Rakesh; Chaudhary, Sandeep; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra Catalyst and Additive-Free Diastereoselective 1,3-Dipolar Cycloaddition of Quinolinium Imides with Olefins, Maleimides, and Benzynes: Direct Access to Fused N,N'-Heterocycles with Promising Activity against a Drug-Resistant Malaria Parasite. The Journal of organic chemistry, 2018, 83, 11552-11570 |
4026481 | CIF | C9 H8 N2 O2 | P -1 | 5.6864; 7.6634; 10.3029 109.174; 96.472; 101.156 | 408.46 | Matthew Bancerz; Michael K. Georges Verdazyl Radicals as Substrates for Organic Synthesis: A Synthesis of 3-Methyl-5-aryl-1,3,4-oxadiazolones Journal of Organic Chemistry, 2011, 76, 6377-6382 |
4037923 | CIF | C7 H6 F3 N O3 | P -1 | 6.225; 7.862; 8.7433 103.85; 94.753; 95.55 | 411 | Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G. Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products. The Journal of organic chemistry, 2020 |
4037916 | CIF | C8 H9 N O3 | P -1 | 4.6446; 8.456; 10.71 89.422; 86.974; 80.489 | 414.27 | Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G. Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products. The Journal of organic chemistry, 2020 |
4034456 | CIF | C10 H7 N3 | P -1 | 6.7285; 6.8933; 9.436 96.507; 104.492; 98.12 | 414.41 | Ghosh, Sanjib; Roy, Biswajit; Bandyopadhyay, Subhajit Formation or Cleavage of Rings via Sulfide-Mediated Reduction Offers Background-Free Detection of Sulfide. The Journal of organic chemistry, 2019, 84, 12031-12039 |
4023268 | CIF | C8 H5 F3 N2 O | P -1 | 7.0768; 7.601; 8.446 105.013; 93.805; 106.584 | 415.7 | Ahmad Basheer; Zvi Rappoport A Rich Array of Reactions of Cyanomonothiocarbonylmalonamides RNHCSCH(CN)CONHR' and Their Thioenols RNHC(SH)=C(CN)CONHR' Journal of Organic Chemistry, 2008, 73, 1386-1396 |
4026533 | CIF | C21 H14 O2 Se | P 1 | 5.9088; 8.2275; 8.8385 94.299; 102.726; 93.867 | 416.386 | Adriane Sperança; Benhur Godoi; Simone Pinton; Davi F. Back; Paulo H. Menezes; Gilson Zeni Regioselective Synthesis of Isochromenones by Iron(III)/PhSeSePh-Mediated Cyclization of 2-Alkynylaryl Esters Journal of Organic Chemistry, 2011, 76, 6789-6797 |
4023896 | CIF | C17 H18 F3 N3 O3 | P 1 | 4.649; 6.738; 13.324 87.993; 89.247; 88.2 | 416.9 | Cidália M. G. dos Santo; Thomas McCabe; Graeme W. Watson; Paul E. Kruger; Thorfinnur Gunnlaugsson The Recognition and Sensing of Anions through "Positive Allosteric Effects" Using Simple Urea‒Amide Receptors Journal of Organic Chemistry, 2008, 73, 9235-9244 |
4038250 | CIF | C8 H5 Cl N2 O3 | P 1 21 1 | 6.5586; 7.4628; 8.5758 90; 92.046; 90 | 419.48 | Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko Synthesis and Synthetic Application of Chloro- and Bromofuroxans. The Journal of organic chemistry, 2020, 85, 5959-5972 |
4030004 | CIF | C9 H8 O4 | P -1 | 6.4801; 7.5911; 9.3705 89.089; 85.416; 66.739 | 422.06 | Hodgson, David M.; Man, Stanislav; Powell, Kimberley J.; Perko, Ziga; Zeng, Minxiang; Moreno-Clavijo, Elena; Thompson, Amber L.; Moore, Michael D. Intramolecular oxonium ylide formation-[2,3] sigmatropic rearrangement of diazocarbonyl-substituted cyclic unsaturated acetals: a formal synthesis of hyperolactone C. The Journal of organic chemistry, 2014, 79, 9728-9734 |
4028560 | CIF | C8 H5 Br N2 S | P -1 | 5.8778; 7.415; 9.975 84.049; 87.505; 77.632 | 422.3 | Tao Tao; Bin-Bin Ma; Yu-Xin Peng; Xiao-Xu Wang; Wei Huang; Xiao-Zeng You Asymmetrical/Symmetrical D-π-A/D-π-D Thiazole-Containing Aromatic Heterocyclic Fluorescent Compounds Having the Same Triphenylamino Chromophores Journal of Organic Chemistry, 2013, 78, 8669-8679 |
4027312 | CIF | C16 H2 Br2 F10 N4 | P -1 | 4.959; 8.559; 10.259 90.869; 94.021; 102.739 | 423.5 | Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade 1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials Journal of Organic Chemistry, 2012, 77, 6107-6116 |
4030114 | CIF | C7 H15 N O5 | P 1 21 1 | 5.1699; 7.3333; 11.1791 90; 89.7378; 90 | 423.822 | Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E. Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids. The Journal of organic chemistry, 2014, 79, 10932-10944 |
4020751 | CIF | C10 H6 S2 | P -1 | 5.842; 7.803; 9.58 98.06; 100.15; 91.75 | 425 | Kazuo Takimiya; Yasushi Konda; Hideaki Ebata; Naoto Niihara; Tetsuo Otsubo Facile Synthesis, Structure, and Properties of Benzo[1,2-b:4,5-b']dichalcogenophenes Journal of Organic Chemistry, 2005, 70, 10569-10571 |
4023546 | CIF | C7 H12 N2 O3 | P -1 | 7.4485; 7.6023; 8.1635 90.627; 101.339; 109.74 | 425.11 | Christiaan Rijksen; Robin D. Rogers A Solventless Route to 1-Ethyl-3-methylimidazolium Fluoride Hydrofluoride, [C~2~mim][F].xHF Journal of Organic Chemistry, 2008, 73, 5582-5584 |
4039002 | CIF HKL | C12 H8 O2 | P 1 21/c 1 | 3.7666; 11.9321; 9.487 90; 90.18; 90 | 426.38 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
4028044 | CIF | C14 H18 Br2 N2 S2 | P -1 | 5.142; 8.5329; 9.86 84.688; 83.755; 85.838 | 427.35 | Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups Journal of Organic Chemistry, 2013, 78, 2472-2481 |
4028530 | CIF | C16 H23 N O8 | P 1 | 5.4454; 8.372; 9.793 84.238; 83.54; 78.233 | 432.9 | Suresh Dharuman; Preeti Gupta; Pavan K. Kancharla; Yashwant D. Vankar Synthesis of 2-Nitroglycals from Glycals Using the Tetrabutylammonium Nitrate-Trifluoroacetic Anhydride-Triethylamine Reagent System and Base-Catalyzed Ferrier Rearrangement of Acetylated 2-Nitroglycals Journal of Organic Chemistry, 2013, 78, 8442-8450 |
4023313 | CIF | C22 H24 O2 | P -1 | 6.1109; 8.1002; 9.9882 107.22; 104.065; 102.182 | 436.21 | Adam W. Franz; Frank Rominger; Thomas J. J. Müller Synthesis and Electronic Properties of Sterically Demanding N-Arylphenothiazines and Unexpected Buchwald-Hartwig Aminations Journal of Organic Chemistry, 2008, 73, 1795-1802 |
4020535 | CIF | C8 H11 B O4 | P -1 | 6.992; 7.916; 7.998 94.751; 94.535; 96.537 | 436.5 | Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin A Convenient Preparation of Xanthene Dyes Journal of Organic Chemistry, 2005, 70, 6907-6912 |
4031018 | CIF | C9 H15 N O2 | P 1 21 1 | 5.5907; 13.518; 5.7882 90; 92.261; 90 | 437.1 | Si, Chang-Mei; Mao, Zhuo-Ya; Dong, Han-Qing; Du, Zhen-Ting; Wei, Bang-Guo; Lin, Guo-Qiang Divergent Method to trans-5-Hydroxy-6-alkynyl/alkenyl-2-piperidinones: Syntheses of (-)-Epiquinamide and (+)-Swainsonine. The Journal of organic chemistry, 2015, 80, 5824-5833 |
4020132 | CIF | C7 H12 I N O | P -1 | 4.919; 7.728; 12.222 75.244; 83.76; 78.475 | 439.4 | Li Liu; Qian Chen; Yun-Dong Wu; Chaozhong Li Journal of Organic Chemistry, 2005, 70, 1539-1544 |
4025811 | CIF | C22 H22 N2 O4 | P -1 | 5.223; 7.84; 11.132 103.716; 94.279; 93.858 | 439.9 | Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials Journal of Organic Chemistry, 2010, 75, 7682-7690 |
4031934 | CIF | C9 H14 O3 | P -1 | 6.1436; 6.8104; 10.8156 87.661; 78.156; 83.52 | 439.99 | Li, Yuanzhen; Yang, Shuang; Wen, Genfa; Lin, Qiqiao; Zhang, Guoxiang; Qiu, Lin; Zhang, Xiaoyan; Du, Guangfen; Fang, Xinqiang Asymmetric Desymmetrization of 1,3-Diketones via Intramolecular Benzoin Reaction. The Journal of organic chemistry, 2016, 81, 2763-2769 |
4039024 | CIF HKL | C6 H10 Cl2 N4 | P 1 21/n 1 | 5.3141; 7.3724; 11.3921 90; 99.436; 90 | 440.28 | Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds Journal of Organic Chemistry, 2023, 88, 16302-16314 |
4020752 | CIF | C10 H6 Se2 | P -1 | 5.7985; 7.9434; 9.864 97.41; 101.48; 91.567 | 440.87 | Kazuo Takimiya; Yasushi Konda; Hideaki Ebata; Naoto Niihara; Tetsuo Otsubo Facile Synthesis, Structure, and Properties of Benzo[1,2-b:4,5-b']dichalcogenophenes Journal of Organic Chemistry, 2005, 70, 10569-10571 |
4038997 | CIF HKL | C8 H4 N8 | P 1 21 1 | 7.4796; 5.1345; 11.9958 90; 104.155; 90 | 446.699 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
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