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 |
4024277 | CIF | C12 H8 O4 | P 1 21/n 1 | 4.884; 5.964; 15.37 90; 92.857; 90 | 447.14 | Hirohiko Houjou; Takatoshi Motoyama; Seisaku Banno; Isao Yoshikawa; Koji Araki Experimental and Theoretical Studies on Constitutional Isomers of 2,6-Dihydroxynaphthalene Carbaldehydes. Effects of Resonance-Assisted Hydrogen Bonding on the Electronic Absorption Spectra Journal of Organic Chemistry, 2009, 74, 520-529 |
4027030 | CIF | C8 H16 O4 | P 1 21 1 | 6.0355; 8.5641; 8.9483 90; 104.406; 90 | 447.98 | Ulf Scheffler; Rainer Mahrwald Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism Journal of Organic Chemistry, 2012, 77, 2310-2330 |
4038372 | CIF | C7 H4 Cl2 N P S | P -1 | 6.71538; 6.98592; 10.6276 91.2912; 107.15; 108.239 | 448.83 | Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J. Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts. The Journal of organic chemistry, 2020 |
4022894 | CIF | C8 H13 N O3 S | P 1 21 1 | 6.22; 9.038; 8.042 90; 93.32; 90 | 451.33 | J. Carreras; A. Avenoza; J. H. Busto; J. M. Peregrina Synthesis of Azabicyclo[2.2.n]alkane Systems as Analogues of 3-[1-Methyl-2-(S)-pyrrolidinyl-methoxy]pyridine (A-84543) Journal of Organic Chemistry, 2007, 72, 3112-3115 |
4025203 | CIF | C11 H10 N2 | P -1 | 7.591; 7.82; 8.966 98.326; 101.303; 116.283 | 451.4 | Glenn A. Burley; David L. Davies; Gerry A. Griffith; Michael Lee; Kuldip Singh Cu-Catalyzed N-Alkynylation of Imidazoles, Benzimidazoles, Indazoles, and Pyrazoles Using PEG as Solvent Medium Journal of Organic Chemistry, 2010, 75, 980-983 |
4024276 | CIF | C12 H8 O4 | P 1 21/c 1 | 4.398; 12.208; 8.659 90; 102.87; 90 | 453.23 | Hirohiko Houjou; Takatoshi Motoyama; Seisaku Banno; Isao Yoshikawa; Koji Araki Experimental and Theoretical Studies on Constitutional Isomers of 2,6-Dihydroxynaphthalene Carbaldehydes. Effects of Resonance-Assisted Hydrogen Bonding on the Electronic Absorption Spectra Journal of Organic Chemistry, 2009, 74, 520-529 |
4031127 | CIF | C22 H19 N O Se | P 1 | 6.9162; 7.8388; 9.2345 103.149; 106.046; 99.634 | 454.13 | Murai, Toshiaki; Mizutani, Tomohiko; Ebihara, Masahiro; Maruyama, Toshifumi α-Hydroxy and α-Oxo Selenoamides: Synthesis via Nucleophilic Selenocarbamoylation of Carbonyl Compounds and Characterization. The Journal of organic chemistry, 2015, 80, 6903-6907 |
4020529 | CIF | C8 H8 Br Cl O2 | P 1 2/c 1 | 7.722; 7.949; 7.405 90; 91.783; 90 | 454.3 | 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 |
4031293 | CIF | C7 H9 Cl N4 O2 | P -1 | 6.0855; 7.9433; 10.3049 99.743; 106.984; 100.825 | 454.42 | Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles. The Journal of organic chemistry, 2015, 80, 7757-7763 |
4036814 | CIF | C8 H7 N5 O2 | P -1 | 7.0745; 7.2465; 10.1757 76.6471; 71.3133; 68.9809 | 457.29 | Imai, Taro; Harigae, Ryo; Moriyama, Katsuhiko; Togo, Hideo Preparation of 5-Aryl-2-Alkyltetrazoles with Aromatic Aldehydes, Alkylhydrazine, Di-tert-butyl Azodicarboxylate, and [Bis(trifluoroacetoxy)iodo]benzene. The Journal of organic chemistry, 2016, 81, 3975-3980 |
4029989 | CIF | C7 H6 N4 S3 | P 1 21 1 | 3.838; 7.3609; 16.283 90; 92.324; 90 | 459.63 | Koyioni, Maria; Manoli, Maria; Koutentis, Panayiotis A. Synthesis of fused 1,2,4-dithiazines and 1,2,3,5-trithiazepines. The Journal of organic chemistry, 2014, 79, 9717-9727 |
4026607 | CIF | C8 H10 Cl N O3 | P -1 | 6.8763; 8.0599; 9.6919 69.981; 73.382; 68.996 | 462.92 | Goutam Kumar Kole; Geok Kheng Tan; Jagadese J. Vittal Role of Anions in the Synthesis of Cyclobutane Derivatives via [2 + 2] Cycloaddition Reaction in the Solid State and Their Isomerization in Solution Journal of Organic Chemistry, 2011, 76, 7860-7865 |
4032665 | CIF | C11 H12 O3 | P 1 21 1 | 6.9303; 7.7696; 8.6272 90; 92.403; 90 | 464.13 | Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D. Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones. The Journal of organic chemistry, 2017, 82, 8008-8022 |
4038792 | CIF | C11 H9 N3 O | P -1 | 7.073; 8.1167; 8.7016 86.895; 81.037; 71.308 | 467.42 | Wang, Jian; Li, Jiang-Hua; Guo, Yidong; Dong, Hongbo; Liu, Qiang; Yu, Xiao-Qi TEMPO-Mediated C-H Amination of Benzoxazoles with N-Heterocycles. The Journal of organic chemistry, 2020, 85, 12797-12803 |
4036513 | CIF | C10 H9 Cl O3 | P -1 | 5.1208; 7.8498; 11.9863 99.256; 91.114; 100.217 | 467.43 | Olomola, Temitope O.; Klein, Rosalyn; Caira, Mino R.; Kaye, Perry T. Elucidating Latent Mechanistic Complexity in Competing Acid-Catalyzed Reactions of Salicylaldehyde-Derived Baylis-Hillman Adducts. The Journal of organic chemistry, 2016, 81, 109-120 |
4023685 | CIF | C7 H6 Cl2 O3 S | P -1 | 6.0993; 8.1188; 10.5373 73.875; 77.57; 71.482 | 470.67 | Jarrod W. Johnson; Darryl P. Evanoff; Marc E. Savard; Gerald Lange; Timothy R. Ramadhar; Abdeljalil Assoud; Nicholas J. Taylor; Gary I. Dmitrienko Cyclobutanone Mimics of Penicillins: Effects of Substitution on Conformation and Hemiketal Stability Journal of Organic Chemistry, 2008, 73, 6970-6982 |
4020753 | CIF | C10 H6 Te2 | P -1 | 5.822; 8.122; 10.292 95.85; 102.59; 91.3 | 472 | 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 |
4037029 | CIF | C9 H11 N O2 S | P 1 n 1 | 5.641; 8.206; 10.243 90; 94.7605; 90 | 472.5 | Aitken, R. Alan; Harper, Andrew D.; Slawin, Alexandra M. Z. Synthesis, Structure, and Unusual Reactivity of a Stable 3-(Oxazolidin-2-ylidene)thiophen-2-one. The Journal of organic chemistry, 2016, 81, 10527-10531 |
4027404 | CIF | C19 H31 Cl N2 O | P 1 | 7.2921; 7.3234; 9.7967 102.695; 94.987; 109.832 | 472.62 | Stephen G. Davies; James A. Lee; Paul M. Roberts; Jeffrey P. Stonehouse; James E. Thomson Asymmetric Syntheses of the Homalium Alkaloids (-)-(S,S)-Homaline and (-)-(R,R)-Hopromine Journal of Organic Chemistry, 2012, 77, 7028-7045 |
4034109 | CIF | C11 H14 O2 | P 1 21 1 | 7.3685; 4.8732; 13.2304 90; 95.679; 90 | 472.75 | Hokamp, Tobias; Wirth, Thomas Structurally Defined α-Tetralol-Based Chiral Hypervalent Iodine Reagents. The Journal of organic chemistry, 2019, 84, 8674-8682 |
4032663 | CIF | C11 H12 O3 | P 1 21 1 | 8.4949; 5.9702; 9.384 90; 95.383; 90 | 473.82 | Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D. Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones. The Journal of organic chemistry, 2017, 82, 8008-8022 |
4024247 | CIF | C10 H6 Br N O2 | P -1 | 7.203; 7.444; 9.295 82.759; 73.703; 89.824 | 474.28 | Asbjørn S. Andersson; Lasse Kerndrup; Anders Ø. Madsen; Kristine Kilså; Mogens Brøndsted Nielsen; Philip R. La Porta; Ivan Biaggio Synthesis and Characterization of Tetrathiafulvalene-Substituted Di- and Tetraethynylethenes with p-Nitrophenyl Acceptors Journal of Organic Chemistry, 2009, 74, 375-382 |
4029820 | CIF | C22 H16 N2 O8 | P -1 | 3.85; 11.162; 12.126 113.46; 95.26; 92.35 | 474.3 | Arora, Kapildev K.; Pedireddi, V. R. A rational study of crystal engineering of supramolecular assemblies of 1,2,4,5-benzenetetracarboxylic acid. The Journal of organic chemistry, 2003, 68, 9177-9185 |
4026008 | CIF | C9 H16 O3 | P 1 21 1 | 4.73; 11.618; 8.805 90; 101.32; 90 | 474.4 | Claudia J. Exner; Sylvain Laclef; Florent Poli; Maris Turks; Pierre Vogel Total Asymmetric Syntheses of β-Hydroxy-δ-lactones via Umpolung with Sulfur Dioxide Journal of Organic Chemistry, 2011, 76, 840-845 |
4028221 | CIF | C10 H7 Cl N2 O2 | P 1 21 1 | 5.3738; 5.4329; 16.3535 90; 95.509; 90 | 475.24 | Fabrício F. Naciuk; Julio C. Milan; Almir Andreão; Paulo C. M. L. Miranda Exploitation of a Tuned Oxidation with N-Haloimides in the Synthesis of Caulibugulones A-D Journal of Organic Chemistry, 2013, 78, 5026-5030 |
4035897 | CIF | C9 H7 Cl N2 O2 | P -1 | 6.1027; 8.5357; 10.175 112.463; 95.209; 99.616 | 475.92 | Chaudhary, Priyanka; Gupta, Surabhi; Muniyappan, Nalluchamy; Sabiah, Shahulhameed; Kandasamy, Jeyakumar Regioselective Nitration of N-Alkyl Anilines using tert-Butyl Nitrite under Mild Condition. The Journal of organic chemistry, 2019, 84, 104-119 |
4028129 | CIF | C11 H11 Cl S | P -1 | 5.291; 7.714; 12.239 99.618; 94.426; 102.384 | 477.73 | Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes Journal of Organic Chemistry, 2013, 78, 3496-3502 |
4034310 | CIF | C11 H13 N O3 | P 1 21 1 | 7.35354; 5.87211; 11.1184 90; 95.496; 90 | 477.894 | Takashima, Katsuki; Hayakawa, Daichi; Gouda, Hiroaki; Toyooka, Naoki Formal Syntheses of (-)-Lepadiformines A, C, and (-)-Fasicularin. The Journal of organic chemistry, 2019, 84, 5222-5229 |
4028906 | CIF | C9 H16 O2 | P -1 | 6.448; 6.734; 11.712 102.27; 104.14; 93.99 | 477.9 | Fleming, Fraser F.; Liu, Wang; Ghosh, Somraj; Steward, Omar W. Metalated Nitriles: Internal 1,2-Asymmetric Induction The Journal of Organic Chemistry, 2008, 73, 2803-2810 |
4021708 | CIF | C9 H18 O5 | P 1 21 1 | 5; 9.13; 10.483 90; 91.434; 90 | 478.4 | Leo A. Paquette; Yunlong Zhang From Common Carbohydrates to Enantiopure Cyclooctane Polyols and Glycomimetics via Deoxygenative Zirconocene Ring Contraction Journal of Organic Chemistry, 2006, 71, 4353-4363 |
4038249 | CIF | C10 H5 Cl N2 O2 | P -1 | 6.667; 6.7899; 11.05 81.39; 86.15; 75.78 | 479.18 | 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 |
4025247 | CIF | C4 H14 Cl2 N2 Pd | P 1 21/c 1 | 7.7022; 6.0157; 10.457 90; 98.48; 90 | 479.22 | Yanxia Shen; Huanfeng Jiang; Zhengwang Chen PdCl2(HNMe2)2-Catalyzed Highly Selective Cross [2 + 2 + 2] Cyclization of Alkynoates and Alkenes under Molecular Oxygen Journal of Organic Chemistry, 2010, 75, 1321-1324 |
4028128 | CIF | C11 H11 Cl S | P -1 | 6.946; 7.72; 9.057 90.861; 89.656; 98.724 | 479.99 | Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes Journal of Organic Chemistry, 2013, 78, 3496-3502 |
4033507 | CIF | C13 H10 N2 O | P 1 21 1 | 3.7669; 22.031; 5.8049 90; 94.543; 90 | 480.23 | Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones. The Journal of organic chemistry, 2018, 83, 2361-2368 |
4023043 | CIF | C10 H8 F3 N O | P -1 | 6.5694; 7.825; 9.863 76.478; 78.156; 82.191 | 480.4 | Zengxue Wang; Wen Wan; Haizhen Jiang; Jian Hao One-Pot Cyclization of 2-Aminophenethyl Alcohols: A Novel and Direct Approach to the Synthesis of N-Acyl Indolines Journal of Organic Chemistry, 2007, 72, 9364-9367 |
4025174 | CIF | C10 H8 N2 S2 | P 1 21/c 1 | 8.0071; 6.5112; 10.013 90; 112.755; 90 | 481.4 | 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 |
4029993 | CIF | C7 H6 N4 S3 | P -1 | 7.8861; 8.2893; 8.3398 113.381; 99.47; 97.678 | 481.53 | Koyioni, Maria; Manoli, Maria; Koutentis, Panayiotis A. Synthesis of fused 1,2,4-dithiazines and 1,2,3,5-trithiazepines. The Journal of organic chemistry, 2014, 79, 9717-9727 |
4029817 | CIF | C22 H18 N2 O8 | P -1 | 4.321; 10.239; 12.121 113.91; 97.71; 92.57 | 482.89 | Arora, Kapildev K.; Pedireddi, V. R. A rational study of crystal engineering of supramolecular assemblies of 1,2,4,5-benzenetetracarboxylic acid. The Journal of organic chemistry, 2003, 68, 9177-9185 |
4020158 | CIF | C9 H11 N O3 S | P -1 | 5.63; 9.508; 9.74 100.476; 99.667; 104.537 | 483.63 | Irishi N. N. Namboothiri; Madhu Ganesh; Shaikh M. Mobin; Miriam Cojocaru Journal of Organic Chemistry, 2005, 70, 2235-2243 |
4021469 | CIF | C3 H5 N5 | P 1 21/n 1 | 7.4471; 6.81; 10.2003 90; 110.613; 90 | 484.19 | Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand N-Nitroso- and N-Nitraminotetrazoles Journal of Organic Chemistry, 2006, 71, 1295-1305 |
4032402 | CIF | C10 H8 N2 O2 S | P -1 | 4.5638; 7.0494; 15.476 95.825; 95.748; 99.306 | 485.3 | McCaw, Patrick G.; Buckley, Naomi M.; Eccles, Kevin S.; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G. Synthesis of Cyclic α-Diazo-β-keto Sulfoxides in Batch and Continuous Flow. The Journal of organic chemistry, 2017, 82, 3666-3679 |
4026381 | CIF | C16 H25 Cu N3 O6 | P 1 | 6.914; 7.7171; 9.616 89.63; 71.921; 87.634 | 487.31 | Illia Panov; Pavel Drabina; Zdeňka Padělková; Petr Šimůnek; Miloš Sedlák Highly Enantioselective Nitroaldol Reactions Catalyzed by Copper(II) Complexes Derived from Substituted 2-(Pyridin-2-yl)imidazolidin-4-one Ligands Journal of Organic Chemistry, 2011, 76, 4787-4793 |
4035265 | CIF | C12 H13 N O | P 1 21 1 | 7.0538; 8.4543; 8.3005 90; 99.725; 90 | 487.89 | Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G. Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles. The Journal of organic chemistry, 2018, 83, 12023-12033 |
4020201 | CIF | C10 H7 Br N2 O2 | P -1 | 5.9611; 7.5339; 11.4495 76.697; 77.861; 85.168 | 488.87 | N. R. Conley; R. J. Hung; C. G. Willson Journal of Organic Chemistry, 2005, 70, 4553-4555 |
4025879 | CIF | C6 H9 N7 O3 | P -1 | 5.2462; 9.242; 10.221 88.875; 81.197; 87.307 | 489.15 | Sergey L. Deev; Zakhar O. Shenkarev; Tatyana S. Shestakova; Oleg N. Chupakhin; Vladimir L. Rusinov; Alexander S. Arseniev Selective 15N-Labeling and Analysis of 13C-15N J Couplings as an Effective Tool for Studying the Structure and Azide-Tetrazole Equilibrium in a Series of Tetrazolo[1,5-b][1,2,4]triazines and Tetrazolo[1,5-a]pyrimidines Journal of Organic Chemistry, 2010, 75, 8487-8497 |
4022652 | CIF | C10 H8 Br N O3 | P 1 21 1 | 7.1454; 6.9176; 10.0029 90; 98.292; 90 | 489.265 | Aitor Landa; Bo Richter; Rasmus Lyng Johansen; Anna Minkkilä; Karl Anker Jørgensen Bisoxazoline-Lewis Acid-Catalyzed Direct-Electron Demand oxo-Hetero-Diels-Alder Reactions of N-Oxy-pyridine Aldehyde and Ketone Derivatives Journal of Organic Chemistry, 2007, 72, 240-245 |
4025132 | CIF | C9 H11 N O3 S | P 1 | 5.8985; 9.6146; 10.1578 107.73; 103.154; 107.355 | 490.554 | Soyeong Kang; Hyeon-Kyu Lee Highly Efficient, Enantioselective Syntheses of (S)-(+)- and (R)-(-)-Dapoxetine Starting with 3-Phenyl-1-propanol Journal of Organic Chemistry, 2010, 75, 237-240 |
4029912 | CIF | C11 H12 O4 | P -1 | 7.0387; 8.9608; 9.3606 111.215; 102.239; 107.014 | 491.7 | Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity. The Journal of organic chemistry, 2014, 79, 8774-8785 |
4034702 | CIF | C24 H18 N4 S2 | P -1 | 5.1447; 9.3119; 10.5693 80.705; 79.917; 89.967 | 491.78 | Hiscock, Lana K.; Yao, Chengzhang; Skene, William G.; Dawe, Louise N.; Maly, Kenneth Edward Synthesis of Emissive Heteroacene Derivatives via Nucleophilic Aromatic Substitution. The Journal of organic chemistry, 2019 |
4038774 | CIF | C11 H12 N2 S | P -1 | 6.5847; 8.4285; 9.4274 89.0396; 72.6274; 80.7426 | 492.57 | Geng, Xinyu; Liu, Siyuan; Wang, Wenyao; Qu, Jingping; Wang, Baomin <i>tert</i>-Amino Effect-Promoted Rearrangement of Aryl Isothiocyanate: A Versatile Approach to Benzimidazothiazepines and Benzimidazothioethers. The Journal of organic chemistry, 2020, 85, 12635-12643 |
4025238 | CIF | C10 H13 N O4 | P 1 21 1 | 7.1895; 6.1491; 11.6112 90; 106.281; 90 | 492.73 | Francis N. Murigi; Gary S. Nichol; Eugene A. Mash Synthesis of the Conformationally Constrained Tyrosine Analogues, (R)- and (S)-5-Hydroxy-2-aminoindan-2-carboxylic Acids Journal of Organic Chemistry, 2010, 75, 1293-1296 |
4028684 | CIF | C9 H8 Br2 O3 | P 1 21 1 | 6.965; 8.1765; 8.7646 90; 99.001; 90 | 492.99 | Michael D. VanHeyst; E. Zachary Oblak; Dennis L. Wright Stereodivergent Resolution of Oxabicyclic Ketones: Preparation of Key Intermediates for Platensimycin and Other Natural Products Journal of Organic Chemistry, 2013, 78, 10555-10559 |
4036778 | CIF | C9 H16 N2 O3 | P -1 | 5.799; 8.02; 11.532 84.05; 77.38; 70.7 | 493.67 | Wrigstedt, Pauli; Kavakka, Jari; Heikkinen, Sami; Nieger, Martin; Räisänen, Minna; Repo, Timo The Reactivity of Thymine and Thymidine 5,6-Epoxides with Organometallic Reagents - A Route to Thymidine (6-4) Photoproduct Analogues. The Journal of organic chemistry, 2016, 81, 3848-3859 |
4037706 | CIF | C12 H9 N O2 | P -1 | 8.02; 8.024; 9.517 74.721; 66.617; 61.92 | 493.7 | Tripathi, Krishna N.; Belal, Md; Singh, Ravi P. Organo Photoinduced Decarboxylative Alkylation of Coumarins with N-(Acyloxy)phthalimide. The Journal of organic chemistry, 2019 |
4027608 | CIF | C12 H6 O2 S2 | P 1 21/a 1 | 10.68236; 3.83987; 12.9514 90; 111.159; 90 | 495.436 | John T. Henssler; Adam J. Matzger Regiochemical Effects of Furan Substitution on the Electronic Properties and Solid-State Structure of Partial Fused-Ring Oligothiophenes Journal of Organic Chemistry, 2012, 77, 9298-9303 |
4028710 | CIF | C10 H14 O4 | P 1 21 1 | 8.4976; 5.2988; 11.0339 90; 93.476; 90 | 495.91 | 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 |
4026602 | CIF | C11 H14 O4 | P 1 21 1 | 6.7734; 6.7395; 11.0228 90; 99.636; 90 | 496.08 | Jan Štambaský; Vojtěch Kapras; Martin Štefko; Ondřej Kysilka; Michal Hocek; Andrei V. Malkov; Pavel Kočovský A Modular Approach to Aryl-C-ribonucleosides via the Allylic Substitution and Ring-Closing Metathesis Sequence. A Stereocontrolled Synthesis of All Four α-/β- and d-/l-C-Nucleoside Stereoisomers Journal of Organic Chemistry, 2011, 76, 7781-7803 |
4026009 | CIF | C9 H16 O3 | P 1 21 1 | 4.751; 11.952; 8.898 90; 100.92; 90 | 496.1 | Claudia J. Exner; Sylvain Laclef; Florent Poli; Maris Turks; Pierre Vogel Total Asymmetric Syntheses of β-Hydroxy-δ-lactones via Umpolung with Sulfur Dioxide Journal of Organic Chemistry, 2011, 76, 840-845 |
4027251 | CIF | C9 H11 N O3 S | P 1 21 1 | 6.6397; 9.9763; 7.518 90; 92.753; 90 | 497.415 | Hyeon-Kyu Lee; Soyeong Kang; Eun Bok Choi Stereoselective Synthesis of Norephedrine and Norpseudoephedrine by Using Asymmetric Transfer Hydrogenation Accompanied by Dynamic Kinetic Resolution Journal of Organic Chemistry, 2012, 77, 5454-5460 |
4033917 | CIF | C8 H9 Br F3 N O | P 1 | 5.026; 7.73; 13.7908 101.669; 91.92; 107.523 | 497.8 | Lan, Ping; Banwell, Martin G.; Willis, Anthony C. Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids. The Journal of organic chemistry, 2019, 84, 3431-3466 |
4038046 | CIF | C12 H2 F2 N4 | C 1 2/m 1 | 10.122; 5.827; 8.812 90; 106.72; 90 | 497.8 | Liu, En-Chih; Topczewski, Joseph J. Gram-Scale Synthesis of 2,5-Difluoro-7,7,8,8-tetracyanoquinodimethane (F<sub>2</sub>-TCNQ). The Journal of organic chemistry, 2020, 85, 4560-4564 |
4026608 | CIF | C8 H8 Cl N O6 | P -1 | 5.043; 8.4238; 12.5243 105.625; 100.485; 95.56 | 497.81 | Goutam Kumar Kole; Geok Kheng Tan; Jagadese J. Vittal Role of Anions in the Synthesis of Cyclobutane Derivatives via [2 + 2] Cycloaddition Reaction in the Solid State and Their Isomerization in Solution Journal of Organic Chemistry, 2011, 76, 7860-7865 |
4033914 | CIF | C8 H9 Br F3 N O | P 1 | 5.0292; 7.7369; 13.795 101.537; 91.971; 107.637 | 498.6 | Lan, Ping; Banwell, Martin G.; Willis, Anthony C. Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids. The Journal of organic chemistry, 2019, 84, 3431-3466 |
4024673 | CIF | C4 H F3 N2 O | P 1 21/c 1 | 10.5739; 4.9342; 9.7643 90; 100.17; 90 | 501.4 | Graham Pattison; Graham Sandford; Dmitry S. Yufit; Judith A. K. Howard; John A. Christopher; David D. Miller Polysubstituted Pyridazinones from Sequential Nucleophilic Substitution Reactions of Tetrafluoropyridazine Journal of Organic Chemistry, 2009, 74, 5533-5540 |
4026603 | CIF | C11 H14 O4 | P 1 21 1 | 6.763; 6.781; 11.095 90; 99.41; 90 | 502 | Jan Štambaský; Vojtěch Kapras; Martin Štefko; Ondřej Kysilka; Michal Hocek; Andrei V. Malkov; Pavel Kočovský A Modular Approach to Aryl-C-ribonucleosides via the Allylic Substitution and Ring-Closing Metathesis Sequence. A Stereocontrolled Synthesis of All Four α-/β- and d-/l-C-Nucleoside Stereoisomers Journal of Organic Chemistry, 2011, 76, 7781-7803 |
4021284 | CIF | C8 H11 N3 O4 | P -1 | 6.3241; 6.4956; 12.4132 93.687; 96.857; 95.235 | 502.7 | P. Rzepecki; H. Gallmeier; N. Geib; Katarina Cernovska; B. König; T. Schrader New Heterocyclic β-Sheet Ligands with Peptidic Recognition Elements Journal of Organic Chemistry, 2004, 69, 5168-5178 |
4024415 | CIF | C14 H24 N12 O4 | P -1 | 6.2353; 9.172; 9.746 114.736; 94.422; 92.195 | 503.19 | Johannes Heppekausen; Thomas M. Klapötke; Stefan M. Sproll Synthesis of Functionalized Tetrazenes as Energetic Compounds Journal of Organic Chemistry, 2009, 74, 2460-2466 |
4032401 | CIF | C10 H16 N2 O3 | P -1 | 7.2069; 7.742; 9.5826 80.466; 79.403; 77.127 | 507.99 | Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides. The Journal of organic chemistry, 2017, 82, 3382-3402 |
4033861 | CIF | C10 H8 N6 | P 1 21 1 | 5.5409; 8.9312; 10.2919 90; 93.877; 90 | 508.15 | Yang, Hongwei; Huang, Liping; Xu, Minxian; Tang, Yongxing; Wang, Bohan; Cheng, Guangbin Strategy for Extending the Nitrogen Chain: The Bis(1,2,3-triazole) Formation Reaction from Tosylhydrazones and <i>N</i>-Amino Azole. The Journal of organic chemistry, 2019, 84, 10629-10634 |
4030583 | CIF | C11 H12 N2 O2 | P -1 | 6.9967; 8.5345; 9.7334 110.752; 94.833; 106.902 | 508.51 | Guthrie, Daryl A.; Ho, Anthony; Takahashi, Cyrus G.; Collins, Anthony; Morris, Matthew; Toscano, John P. "Catch-and-Release" of HNO with Pyrazolones. The Journal of organic chemistry, 2015, 80, 1338-1348 |
4022317 | CIF | C13 H15 N O | P -1 | 6.3016; 8.7289; 10.1131 104.554; 105.514; 96.646 | 508.73 | Thorsten Bach; Benjamin Grosch; Thomas Strassner; Eberhardt Herdtweck Enantioselective [6π]-Photocyclization Reaction of an Acrylanilide Mediated by a Chiral Host. Interplay between Enantioselective Ring Closure and Enantioselective Protonation Journal of Organic Chemistry, 2003, 68, 1107-1116 |
4038410 | CIF | C12 H12 O4 | P -1 | 6.7935; 8.8102; 9.8737 101.487; 108.498; 106.224 | 510.53 | Castillo, Juan-Carlos; Castro-Agudelo, Brian; Gálvez, Jaime; Carissan, Yannick; Rodríguez, Jean; Coquerel, Yoann Periselectivity in the aza-Diels-Alder cycloaddition between α-oxoketenes and N-(5-pyrazolyl)imines: a combined experimental and theoretical study. The Journal of organic chemistry, 2020 |
4020060 | CIF | C9 H14 N2 O4 | P -1 | 5.178; 7.536; 14.232 95.17; 99.84; 108.99 | 511.03 | Franca M. Cordero; Federica Pisaneschi; Karina Meschini Batista; Silvia Valenza; Fabrizio Machetti; Alberto Brandi Journal of Organic Chemistry, 2005, 70, 856-867 |
4024429 | CIF | C10 H14 O5 | P 1 21 1 | 7.258; 8.97; 8.41 90; 110.889; 90 | 511.5 | C. V. Ramana; Sharad B. Suryawanshi; Rajesh G. Gonnade Pd(II)-Mediated Alkynediol Spiroketalization: First Total Synthesis of (-)-Cephalosporolide E and (+)-Cephalosporolide F Journal of Organic Chemistry, 2009, 74, 2842-2845 |
4022606 | CIF | C12 H11 N O2 | P -1 | 3.999; 11.1539; 12.225 71.924; 89.51; 81.01 | 511.55 | Lasri, Jamal; Charmier, M. Adília Januário; Haukka, Matti; Pombeiro, Armando J. L. Stereospecific Synthesis of Polysubstituted E-Olefins by Reaction of Acyclic Nitrones with Free and Platinum(II) Coordinated Organonitriles Journal of Organic Chemistry, 2007, 72, 750-755 |
4031295 | CIF | C9 H11 Cl N4 | P -1 | 6.9943; 7.3867; 10.468 97.082; 106.868; 92.782 | 511.58 | Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles. The Journal of organic chemistry, 2015, 80, 7757-7763 |
4030321 | CIF | C10 H13 N O2 S | P 1 21 1 | 6.4713; 6.9416; 11.6404 90; 101.765; 90 | 511.92 | Fauber, Benjamin P.; Clagg, Kyle; Gibbons, Paul; Rene, Olivier An Experimental and Computational Study of the Diastereoselective Alkylations of 3-Substituted gamma-Sultams. The Journal of organic chemistry, 2014, 80, 685 |
4020412 | CIF | C27 H24 Fe N2 | P 1 | 7.2972; 8.6769; 9.8312 114.432; 111.244; 92.708 | 513.78 | Jimmi Gerner Seitzberg; Carsten Dissing; Inger Søtofte; Per-Ola Norrby; Mogens Johannsen Design and Synthesis of a New Type of Ferrocene-Based Planar Chiral DMAP Analogues. A New Catalyst System for Asymmetric Nucleophilic Catalysis Journal of Organic Chemistry, 2005, 70, 8332-8337 |
4026464 | CIF | C9 H13 N3 O5 | P 1 21 1 | 6.545; 8.428; 9.345 90; 94.64; 90 | 513.8 | Y. Suman Reddy; A. P. John Pal; Preeti Gupta; Alafia A. Ansari; Yashwant D. Vankar Ceric Ammonium Nitrate-Catalyzed Azidation of 1,2-Anhydro Sugars: Application in the Synthesis of Structurally Diverse Sugar-Derived Morpholine 1,2,3-Triazoles and 1,4-Oxazin-2-ones Journal of Organic Chemistry, 2011, 76, 5972-5984 |
4025984 | CIF | C11 H11 N O4 | P 1 21 1 | 8.2984; 5.8941; 11.0767 90; 108.428; 90 | 514 | Lawrence Harris; Simon P. H. Mee; Richard H. Furneaux; Graeme J. Gainsford; Andreas Luxenburger Alkyl 4-Chlorobenzoyloxycarbamates as Highly Effective Nitrogen Source Reagents for the Base-Free, Intermolecular Aminohydroxylation Reaction Journal of Organic Chemistry, 2011, 76, 358-372 |
4024135 | CIF | C10 H12 Cl N O3 | P 1 21 1 | 7.1887; 7.5136; 9.5782 90; 96.1275; 90 | 514.392 | Nicolas Joubert; Radek Pohl; Blanka Klepetářová; Michal Hocek Modular and Practical Synthesis of 6-Substituted Pyridin-3-yl C-Nucleosides Journal of Organic Chemistry, 2007, 72, 6797-6805 |
4030314 | CIF | C12 H10 O4 | P -1 | 7.5873; 8.0869; 10.0489 102.73; 96.588; 117.756 | 515.07 | Zhang, Mingliang; Zhang, Hui-Jun; Han, Tiantian; Ruan, Wenqing; Wen, Ting-Bin Rh(III)-Catalyzed Oxidative Coupling of Benzoic Acids with Geminal-Substituted Vinyl Acetates: Synthesis of 3-Substituted Isocoumarins. The Journal of organic chemistry, 2014, 80, 620 |
4038077 | CIF | C24 H14 F6 N2 O2 | P -1 | 5.7211; 8.2943; 11.0522 92.866; 91.401; 99.979 | 515.58 | Das, Tamal Kanti; Madica, Krishnaprasad; Krishnan, Jagadeesh; Marelli, Udaya Kiran; Biju, Akkattu T. N-Heterocyclic Carbene Catalysis Exploiting Oxidative Imine Umpolung for the Generation of Imidoyl Azoliums. The Journal of organic chemistry, 2020, 85, 5114-5121 |
4034037 | CIF | C10 H9 Cl F N O2 | P -1 | 4.6067; 9.4142; 11.9555 84.496; 87.781; 89.35 | 515.7 | Tang, Lin; Yang, Zhen; Jiao, Jingchao; Cui, Ying; Zou, Guodong; Zhou, Qiuju; Zhou, Yuqiang; Rao, Weihao; Ma, Xiantao Chemoselective Mono- and Difluorination of 1,3-Dicarbonyl Compounds. The Journal of organic chemistry, 2019, 84, 10449-10458 |
4022146 | CIF | C14 H16 | P -1 | 6.7195; 6.808; 12.299 82.22; 81.35; 68.61 | 515.92 | Sergiy V. Rosokha; Jay K. Kochi The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons Journal of Organic Chemistry, 2006, 71, 9357-9365 |
4025878 | CIF | C4 H3 N5 | P 1 21/c 1 | 7.0702; 5.6183; 13.1708 90; 99.457; 90 | 516.07 | Sergey L. Deev; Zakhar O. Shenkarev; Tatyana S. Shestakova; Oleg N. Chupakhin; Vladimir L. Rusinov; Alexander S. Arseniev Selective 15N-Labeling and Analysis of 13C-15N J Couplings as an Effective Tool for Studying the Structure and Azide-Tetrazole Equilibrium in a Series of Tetrazolo[1,5-b][1,2,4]triazines and Tetrazolo[1,5-a]pyrimidines Journal of Organic Chemistry, 2010, 75, 8487-8497 |
4026676 | CIF | C10 H6 Cl2 N2 O2 | P 1 21/n 1 | 7.458; 4.364; 15.876 90; 92.02; 90 | 516.4 | 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 |
4033374 | CIF | C4 H3 Cl N2 O | P 21 21 21 | 4.798; 5.6534; 19.038 90; 90; 90 | 516.41 | Frei, Przemyslaw; Jones, D. Heulyn; Kay, Steven T.; McLellan, Jayde A.; Johnston, Blair F.; Kennedy, Alan R.; Tomkinson, Nicholas C. O. Regioselective Reaction of Heterocyclic N-Oxides, an Acyl Chloride, and Cyclic Thioethers. The Journal of organic chemistry, 2018, 83, 1510-1517 |
4026583 | CIF | C13 H16 O2 | P -1 | 5.9038; 7.6357; 11.8298 78.482; 82.754; 88.56 | 518.37 | Kuan-Jen Su; Mirjana Pačar; Jean-Luc Mieusset; Vladimir B. Arion; Udo H. Brinker Quest for Even Higher Stabilized Foiled Carbenes Journal of Organic Chemistry, 2011, 76, 7491-7496 |
4024842 | CIF | C10 H20 O2 | P 1 21 1 | 9.245; 6.063; 10.2457 90; 115.422; 90 | 518.69 | Laura E. Bourque; Pamela A. Haile; K. A. Woerpel Silylene-Mediated Ring Contraction of Homoallylic Ethers To Form Allylic Silanes Journal of Organic Chemistry, 2009, 74, 7180-7182 |
4020081 | CIF | C11 H16 O2 | P 1 21 1 | 6.435; 6.853; 12.112 90; 103.75; 90 | 518.8 | Agnese Abate; Elisabetta Brenna; Claudio Fuganti; Francesco G. Gatti; Tommaso Giovenzana; Luciana Malpezzi; Stefano Serra Journal of Organic Chemistry, 2005, 70, 1281-1290 |
4035286 | CIF | C11 H9 F2 N O3 | P 1 21 1 | 6.9994; 10.6106; 7.0797 90; 99.157; 90 | 519.09 | Xi, Ning; Sun, Xiaohua; Li, Minxiong; Sun, Mingming; Xi, Michael A.; Zhan, Zeping; Yao, Jia; Bai, Xu; Wu, Yanjun; Liao, Min Noncovalent Interactions of Fluorine with Amide and CH<sub>2</sub> Groups in N-Phenyl γ-Lactams: Covalently Identical Fluorine Atoms in Nonequivalent Chemical Environments. The Journal of organic chemistry, 2018, 83, 11586-11594 |
4033140 | CIF | C12 H16 O3 | P -1 | 7.1832; 8.55; 9.308 104.927; 105.219; 98.265 | 519.1 | Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E. Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride. The Journal of organic chemistry, 2017, 82, 12798-12805 |
4024789 | CIF | C13 H16 O2 | P -1 | 8.1475; 8.2598; 8.4 79.263; 70.219; 80.475 | 519.41 | Singh, Vishwakarma; Sahu, Pramod K.; Sahu, Bharat C.; Mobin, Shaikh M. Diels‒Alder Cycloaddition and Ring-Closing Metathesis: A Versatile, Stereoselective, and General Route to Embellished Bridged Bicyclic Systems, Carbocyclic Framework of Secoatisanes, and Homologues Journal of Organic Chemistry, 2009, 74, 6092-6104 |
4020284 | CIF | C10 H8 Br2 N2 O | P -1 | 7.2876; 7.3084; 10.801 81.55; 88.035; 66.12 | 520.11 | Russell J. Pearson; Kathryn M. Evans; Alexandra M. Z. Slawin; Douglas Philp; Nicholas J. Westwood Journal of Organic Chemistry, 2005, 70, 5055-5061 |
4036290 | CIF | C11 H14 N2 O2 | P 1 21 1 | 5.3134; 8.1507; 12.0605 90; 93.485; 90 | 521.35 | Conde, Egoitz; Rivilla, Iván; Larumbe, Amaia; Cossío, Fernando P Enantiodivergent Synthesis of Bis-Spiropyrrolidines via Sequential Interrupted and Completed (3 + 2) Cycloadditions. The Journal of organic chemistry, 2015, 80, 11755-11767 |
4033485 | CIF | C23 H22 Br N3 O3 | P 1 | 5.6515; 8.034; 12.082 81.886; 88.585; 73.865 | 521.6 | Ray, Sumit K.; Biswas, Rayhan G.; Suneja, Arun; Sadhu, Milon M.; Singh, Vinod K. (R)-DM-SEGPHOS-Ag(I)-Catalyzed Enantioselective Synthesis of Pyrrolidines and Pyrrolizidines via (1,3)- and Double (1,3)-Dipolar Cycloaddition Reactions. The Journal of organic chemistry, 2018, 83, 2293-2308 |
4025265 | CIF | C10 H6 N2 S3 | P 1 21 1 | 3.8595; 10.702; 12.76 90; 98.03; 90 | 521.88 | Jean-Yves Balandier; Marcos Chas; Paul I. Dron; Sébastien Goeb; David Canevet; Ahmed Belyasmine; Magali Allain; Marc Sallé N-Aryl Pyrrolo-tetrathiafulvalene Based Ligands: Synthesis and Metal Coordination Journal of Organic Chemistry, 2010, 75, 1589-1599 |
4022864 | CIF | C9 H10 Cl F O2 S | P -1 | 5.76; 7.7918; 12.005 75.975; 89.036; 87.63 | 522.3 | Weike Su; Jiuxi Chen; Huayue Wu; Can Jin A General and Efficient Method for the Selective Synthesis of β-Hydroxy Sulfides and β-Hydroxy Sulfoxides Catalyzed by Gallium(III) Triflate Journal of Organic Chemistry, 2007, 72, 4524-4527 |
4037764 | CIF | C10 H6 Br N3 S | P -1 | 6.7411; 8.5273; 9.4191 83.71; 88.23; 76.21 | 522.7 | Sun, Kai; Li, Yali; Feng, Ranran; Mu, Shiqiang; Wang, Xin; Zhang, Bing C-H Imidation and Dual C-H Bond Aminobromination of Five-Membered Heterocycles. The Journal of organic chemistry, 2019 |
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