Crystallography Open Database

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4021571 CIFC12 H22 OA b a 29.139; 19.074; 26.46
90; 90; 90
4612.5Kai Deng; Ahlem Bensari-Bouguerra; Joseph Whetstone; Theodore Cohen
Cyclization by Intramolecular Carbolithiation of Alkyl- and Vinyllithiums Prepared by the Action of Aromatic Radical Anions on Phenyl Thioethers. High Stereoselectivity in the Cyclization Accelerated by an Allylic Lithium Oxyanion
Journal of Organic Chemistry, 2006, 71, 2360-2372
4021871 CIFC19 H17 N O2A b a 219.877; 18.927; 8.0012
90; 90; 90
3010.2Yan-Chao Wu; Li Liu; Hui-Jing Li; Dong Wang; Yong-Jun Chen
Skraup-Doebner-Von Miller Quinoline Synthesis Revisited: Reversal of the Regiochemistry for γ-Aryl-β,γ-unsaturated α-Ketoesters
Journal of Organic Chemistry, 2006, 71, 6592-6595
4025601 CIFC34 H40 D18 N8 O5 S3A b a 225.3621; 16.7341; 18.5947
90; 90; 90
7891.8Kinkini Roy; Chun Wang; Mark D. Smith; Perry J. Pellechia; Linda S. Shimizu
Alkali Metal Ions As Probes of Structure and Recognition Properties of Macrocyclic Pyridyl Urea Hosts
Journal of Organic Chemistry, 2010, 75, 5453-5460
4025668 CIFC30 H32 N2 SA b a 221.208; 16.936; 13.147
90; 90; 90
4722.1Motonori Watanabe; Kenta Goto; Masahiko Shibahara; Teruo Shinmyozu
Synthesis, Structure, and Electronic and Photophysical Properties of Two- and Three-Layered [3.3]Paracyclophane-Based Donor-Acceptor Systems(1)
Journal of Organic Chemistry, 2010, 75, 6104-6114
4028383 CIFC30 H32 N4 O3A b a 217.2631; 35.327; 8.9843
90; 90; 90
5479.1Shokoofeh Maghari; Sorour Ramezanpour; Saeed Balalaie; Fatemeh Darvish; Frank Rominger; Hamid Reza Bijanzadeh
Synthesis of Functionalized Pseudopeptides through Five-Component Sequential Ugi/Nucleophilic Reaction of N-Substituted 2-Alkynamides with Hydrazides
Journal of Organic Chemistry, 2013, 78, 6450-6456
4028507 CIFC23 H19 NA b a 213.2591; 25.5247; 10.0154
90; 90; 90
3389.56Keith Ramig; Edyta M. Greer; David J. Szalda; Sasan Karimi; Allen Ko; Laura Boulos; Jiansan Gu; Nathan Dvorkin; Hema Bhramdat; Gopal Subramaniam
NMR Spectroscopic and Computational Study of Conformational Isomerism in Substituted 2-Aryl-3H-1-benzazepines: Toward Isolable Atropisomeric Benzazepine Enantiomers
Journal of Organic Chemistry, 2013, 78, 8028-8036
4021104 CIFC18 H16A e a 210.625; 17.084; 7.5931
90; 90; 90
1378.2Gon-Ann Lee; Chih-Yi Chang
Novel Ene Trimerization of 1-Phenylcyclopropene
Journal of Organic Chemistry, 2004, 69, 8949-8951
4033826 CIFC17 H22 N2 O4 S2A e a 212.1657; 17.8449; 8.3153
90; 90; 90
1805.22Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.
Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.
The Journal of organic chemistry, 2019, 84, 11091-11102
4036001 CIFC32 H20 Br2 O2A e a 211.2662; 15.6756; 14.1746
90; 90; 90
2503.3Gawade, Prashant M.; Khose, Vaibhav N.; Badani, Purav M.; Hasan, Mohammed; Kaabel, Sandra; Mobin, Shaikh M.; Borovkov, Victor; Karnik, Anil V.
Benzyne-Mediated Nonconcerted Pathway toward Synthesis of Sterically Crowded [5]- and [7]Oxahelicenoids, Stereochemical and Theoretical Studies, and Optical Resolution of Helicenoids.
The Journal of organic chemistry, 2019, 84, 860-868
4038230 CIFC26 H28 N4 O4 S2A m a 227.2818; 14.841; 6.2806
90; 90; 90
2542.9Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei
Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.
The Journal of organic chemistry, 2020, 85, 5351-5361
4021294 CIFC20 H24 N2C 111.7618; 13.185; 13.7331
92.734; 112.61; 114.056
1741.7Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno
Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer
Journal of Organic Chemistry, 2004, 69, 4997-5004
4020043 CIFC14 H17 N O3C 1 2 19.741; 4.787; 27.44
90; 97.63; 90
1268Azusa Sato; Hisanaka Ito; Takeo Taguchi
Journal of Organic Chemistry, 2005, 70, 709-712
4020069 CIFC52 H42 N2 O4.5C 1 2 119.55; 14.449; 14.925
90; 96.767; 90
4186.7Hyuma Masu; Masaki Sakai; Keiki Kishikawa; Makoto Yamamoto; Kentaro Yamaguchi; Shigeo Kohmoto
Journal of Organic Chemistry, 2005, 70, 1423-1431
4020078 CIFC13 H17 F O2C 1 2 117.069; 5.886; 12.681
90; 102.407; 90
1244.3Alice E. Lurain; Patrick J. Carroll; Patrick J. Walsh
Journal of Organic Chemistry, 2005, 70, 1262-1268
4020085 CIFC56 H54 O11C 1 2 133.157; 8.369; 17.171
90; 96.033; 90
4738.41Suvarn S. Kulkarni; Yi-Hung Liu; Shang-Cheng Hung
Journal of Organic Chemistry, 2005, 70, 2808-2811
4020136 CIFC29.5 H28 Cl N O3C 1 2 131.545; 6.9687; 11.2953
90; 94.753; 90
2474.5Yong-Gui Zhou; Peng-Yu Yang; Xiu-Wen Han
Journal of Organic Chemistry, 2005, 70, 1679-1683
4020172 CIFC26 H32 Br N O3C 1 2 115.123; 12.592; 25.895
90; 94.988; 90
4912.4Dwight D. Kim; Suk Joong Lee; Peter Beak
Journal of Organic Chemistry, 2005, 70, 5376-5386
4020208 CIFC12 H17 N O7C 1 2 117.9579; 7.8494; 11.428
90; 120.223; 90
1391.9Rena Bodner; Bridget K. Marcellino; Alexandra Severino; Abigail L. Smenton; Christian M. Rojas
Journal of Organic Chemistry, 2005, 70, 3988-3996
4020274 CIFC32 H42 N2 O5C 1 2 131.656; 6.3516; 18.371
90; 124.109; 90
3058.3James A. Aikins; Michael Haurez; John R. Rizzo; Jean-Pierre Van Hoeck; Willy Brione; Jean-Paul Kestemont; Christophe Stevens; Xavier Lemair; Gregory A. Stephenson; Eric Marlot; Mindy Forst; Ioannis N. Houpis
Journal of Organic Chemistry, 2005, 70, 4695-4705
4020310 CIFC27.3895 H44.779 B Cl0.407 F4 O0.2965 P2 Rh SC 1 2 114.764; 17.671; 11.94
90; 103.858; 90
3024.4Tiziana Benincori; Tullio Pilati; Simona Rizzo; Franco Sannicoló; Mark J. Burk; Lorenzo de Ferra; Elio Ullucci; Oreste Piccolo
The 2,5-Dimethyl-3,4-bis[(2R,5R)-2,5-dimethylpospholano]thiophene (UluPHOS):the First Member of the Hetero-DuPHOS Family.
Journal of Organic Chemistry, 2005, 70, 5436-5441
4020387 CIFC16 H21 Br Cl3 N O PdC 1 2 114.013; 13.884; 12.1079
90; 120.106; 90
2037.9Ke Yuan; Ting Ke Zhang; Xue Long Hou
Journal of Organic Chemistry, 2005, 70, 6085-6088
4020549 CIFC19 H24 N2 O5C 1 2 129.185; 5.098; 12.366
90; 90.209; 90
1840Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño
(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study
Journal of Organic Chemistry, 2005, 70, 7963-7971
4020641 CIFC26 H44 O9 S SiC 1 2 126.2553; 11.3176; 11.8892
90; 112.159; 90
3271.9William T. Lambert; Gregory H. Hanson; Farid Benayoud; Steven D. Burke
Halichondrin B: Synthesis of the C1-C22 Subunit
Journal of Organic Chemistry, 2005, 70, 9382-9398
4020702 CIFC30 H50 O5 SiC 1 2 128.197; 6.3152; 22.247
90; 127.911; 90
3125.5Bingfeng Shi; Pingping Tang; Xiaoyi Hu; Jun O. Liu; Biao Yu
OSW Saponins: Facile Synthesis toward a New Type of Structures with Potent Antitumor Activities
Journal of Organic Chemistry, 2005, 70, 10354-10367
4020837 CIFC22 H31 N O3C 1 2 118.076; 8.1759; 14.5553
90; 110.453; 90
2015.5Sini<sa Marinkovi<c; Cédric Brulé; Norbert Hoffmann; Elise Prost; Jean-Marc Nuzillard; Véonique Bulach
Origin of Chiral Induction in Radical Reactions with the Diastereoisomers (5R)- and (5S)-5-l-Menthyloxyfuran-2[5H]-one
Journal of Organic Chemistry, 2004, 69, 1646-1651
4021073 CIFC23 H25 N O2 S2C 1 2 122.837; 6.394; 14.408
90; 95.328; 90
2094.9Amat, Mercedes; Pérez, Maria; Llor, Núria; Escolano, Carmen; Luque, F. Javier; Molins, Elies; Bosch, Joan
Conjugate Additions to Phenylglycinol-Derived Unsaturated δ-Lactams. Enantioselective Synthesis of Uleine Alkaloids
The Journal of Organic Chemistry, 2004, 69, 8681-8693
4021075 CIFC29 H38 Cl N2 O7.5C 1 2 124.638; 11.824; 11.166
90; 112.08; 90
3014.3Charles Didier; Douglas J. Critcher; Nigel D. Walshe; Yasuhiro Kojima; Yuji Yamauchi; Anthony G. M. Barrett
Full Stereochemical Assignment and Synthesis of the Potent Anthelmintic Pyrrolobenzoxazine Natural Product CJ-12662
Journal of Organic Chemistry, 2004, 69, 7875-7879
4021078 CIFC15 H17.5 N0.5 O2 Si0.5C 1 2 126.977; 7.4394; 18.917
90; 130.916; 90
2868.8Tahar Ayad; Vanessa Faugeroux; Yves Génisson; Chantal André; Michel Baltas; Liliane Gorrichon
Stereoselective Access to the Versatile 4-Aminohex-5-ene-1,2,3-triol Pattern
Journal of Organic Chemistry, 2004, 69, 8775-8779
4021143 CIFC16 H22 N O4 PC 1 2 132.185; 6.201; 9.169
90; 96.37; 90
1818.6William H. Hersh; Lauren Klein; Louis J. Todaro
Stereoselective Synthesis of P-Chiral Phosphorus Compounds from N-tert-Butoxycarbonyl Amino Acids
Journal of Organic Chemistry, 2004, 69, 7355-7358
4021145 CIFC30.5 H35.25 O7.125C 1 2 118.5623; 13.087; 24.018
90; 97.433; 90
5785.5Julien Beignet; James Tiernan; Chang H. Woo; Benson M. Kariuki; Liam R. Cox
Stereoselective Synthesis of Allyl-C-mannosyl Compounds: Use of a Temporary Silicon Connection in Intramolecular Allylation Strategies with Allylsilanes
Journal of Organic Chemistry, 2004, 69, 6341-6356
4021157 CIFC19 H27 N O3 Si2C 1 2 127.813; 6.2336; 13.4923
90; 109.808; 90
2200.8Ya-Li Chen; Jiang-Qin Sun; Xin Wei; Wai-Yeung Wong; Albert W. M. Lee
Generation of Synthetic Equivalents of Benzdiynes from Benzobisoxadisiloles
Journal of Organic Chemistry, 2004, 69, 7190-7197
4021383 CIFC52 H78 O11C 1 2 132.809; 9.945; 8.492
90; 104.72; 90
2679.9Maya I. Mitova; Gerhard Lang; John W. Blunt; Nicholas J. Cummings; Anthony L. J. Cole; Ward T. Robinson; Murray H. G. Munro
Cladobotric Acids A-F: New Cytotoxic Polyketides from a New Zealand Cladobotryum sp.
Journal of Organic Chemistry, 2006, 71, 492-497
4021549 CIFC96 H100 O20C 1 2 159.445; 10.5079; 25.8107
90; 95.554; 90
16046.8Enrique M. Rubio; M. Isabel García-Moreno; Patricia Balbuena; Fernando J. Lahoz; Eleuterio Álvarez; Carmen Ortiz Mellet; José M. García Fernández
Spacer-Mediated Synthesis of Contra-Thermodynamic Spiroacetals: Stereoselective Synthesis of C~2~-Symmetric Difructose Dianhydrides
Journal of Organic Chemistry, 2006, 71, 2257-2266
4021576 CIFC38.5 H48 Cl3 F6 Fe N O P Pd SbC 1 2 119.899; 20.987; 21.619
90; 111.143; 90
8420.8Felix M. Geisler; Günter Helmchen
Chiral Phosphinooxazolines with a Pentamethylferrocene Backbone- Synthesis and Use as Ligands in Asymmetric Catalysis
Journal of Organic Chemistry, 2006, 71, 2486-2492
4021711 CIFC26 H29 N O2C 1 2 114.553; 13.477; 11.77
90; 108.896; 90
2184Peng-Fei Xu; Shuo Li; Ta-Jung Lu; Chen-Chang Wu; Botao Fan; Georgia Golfis
Asymmetric Synthesis of α,α-Disubstituted α-Amino Acids by Diastereoselective Alkylation of Camphor-Based Tricyclic Iminolactone
Journal of Organic Chemistry, 2006, 71, 4364-4373
4021785 CIFC15 H20 O3C 1 2 131.54; 5.608; 8.403
90; 102.653; 90
1450.2Agnese Abate; Elisabetta Brenna; Alessia Costantini; Claudio Fuganti; Francesco G. Gatti; Luciana Malpezzi; Stefano Serra
Enzymatic Approach to Enantiomerically Pure 5-Alken-2,4-diols and 4-Hydroxy-5-alken-2-ones: Application to the Synthesis of Chiral Synthons
Journal of Organic Chemistry, 2006, 71, 5228-5240
4021797 CIFC22 H18 Br2 O5C 1 2 120.5888; 6.8523; 15.1405
90; 111.949; 90
1981.19Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies
Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids
Journal of Organic Chemistry, 2006, 71, 5349-5356
4021852 CIFC36 H36 O4C 1 2 129.66; 4.99; 22.643
90; 126.593; 90
2691Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore
A Practical Synthesis of Bridged Diarylacetylenes
Journal of Organic Chemistry, 2006, 71, 6124-6129
4021887 CIFC30 H31 N OC 1 2 131.582; 7.466; 11.068
90; 109.485; 90
2460.27José M. Concellón; Pablo L. Bernad; Virginia del Solar; José Ramón Suárez; Santiago García-Granda; M. Rosario Díaz
Synthesis of Enantiopure (αS,βS)- or (αR,βR)-Amino Alcohols by Complete Regioselective Opening of Aminoepoxides by Organolithium Reagents LiAlH~4~ ir LiAlD~4~
Journal of Organic Chemistry, 2006, 71, 6420-6426
4021897 CIFC44 H32 O4 P2C 1 2 110.709; 18.515; 53.426
90; 90.282; 90
10593Manabu Hatano; Takashi Miyamoto; Kazuaki Ishihara
3,3'-Diphosphoryl-1,1'-bi-2-naphthol-Zn(II) Complexes as Conjugate Acid-Base Catalysts for Enantioselective Dialkylzinc Addition to Aldehydes
Journal of Organic Chemistry, 2006, 71, 6474-6484
4021898 CIFC44 H32 O4 P2C 1 2 124.535; 6.0496; 23.504
90; 98.006; 90
3454.6Manabu Hatano; Takashi Miyamoto; Kazuaki Ishihara
3,3'-Diphosphoryl-1,1'-bi-2-naphthol-Zn(II) Complexes as Conjugate Acid-Base Catalysts for Enantioselective Dialkylzinc Addition to Aldehydes
Journal of Organic Chemistry, 2006, 71, 6474-6484
4021919 CIFC40 H46 Mn3 N4 O12C 1 2 125.46; 10.292; 16.264
90; 98.503; 90
4215Byungman Kang; Min Kim; Junseong Lee; Youngkyu Do; Sukbok Chang
Trimanganese Complexes Bearing Bidentate Nitrogen Ligands as a Highly Efficient Catalyst Precursor in the Epoxidation of Alkenes
Journal of Organic Chemistry, 2006, 71, 6721-6727
4021945 CIFC18 H29 N O5.5 PC 1 2 115.3035; 10.3641; 14.1931
90; 101.189; 90
2208.3María C. Fernández; Aniana Díaz; Juan J. Guillín; Olga Blanco; María Ruiz; Vicente Ojea
Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Electrophilic Substitution and Tin-Peterson Olefination of Bis-lactim Ethers Derived from cyclo-[L-AP4-D-Val]
Journal of Organic Chemistry, 2006, 71, 6958-6974
4021962 CIFC39 H40 Cl N2 O2 P PdC 1 2 139.149; 9.736; 9.566
90; 96.414; 90
3623.3Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita
Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis
Journal of Organic Chemistry, 2006, 71, 7346-7353
4021966 CIFC37 H38 Cl N2 P PdC 1 2 138.3957; 9.6498; 9.6342
90; 101.35; 90
3499.74Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita
Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis
Journal of Organic Chemistry, 2006, 71, 7346-7353
4022066 CIFC38 H32 Cl2 Rh2C 1 2 117.111; 8.01; 11.588
90; 105.1; 90
1533.4Guillaume Berthon-Gelloz; Tamio Hayashi
Expanding the C2-Symmetric Bicyclo[2.2.1]hepta-2,5-diene Ligand Family: Concise Synthesis and Catalytic Activity in Rhodium-Catalyzed Asymmetric Addition
Journal of Organic Chemistry, 2006, 71, 8957-8960
4022263 CIFC56 H58 Cl2 N4 O4 P2 RuC 1 2 125.073; 17.012; 13.935
90; 91.307; 90
5942.6Jing Wu; Hua Chen; Waihim Kwok; Rongwei Guo; Zhongyuan Zhou; Chihung Yeung; Albert S. C. Chan
Air-Stable Catalysts for Highly Efficient and Enantioselective Hydrogenation of Aromatic Ketones
Journal of Organic Chemistry, 2002, 67, 7908-7910
4022396 CIFC19.35 H29.7 Cl0.7 O5.5C 1 2 117.92; 7.3606; 17.285
90; 115.6; 90
2057Amaury Patin; Alice Kanazawa; Christian Philouze; Andrew E. Greene; Estela Muri; Eliezer Barreiro; Paulo C. C. Costa
Highly Stereocontrolled Synthesis of Natural Barbacenic Acid, Novel Bisnorditerpene from Barbacenia flava
Journal of Organic Chemistry, 2003, 68, 3831-3837
4022454 CIFC20 H24 O5C 1 2 116.749; 6.2476; 17.816
90; 106.363; 90
1788.8Jeffrey Marrero; Abimael D. Rodríguez; Peter Baran; Raphael G. Raptis
Isolation and Characterization of Kallosin A, a Novel Rearranged Pseudopterane Diterpenoid from the Caribbean Sea Plume Pseudopterogorgia kallos (Bielschowsky)
Journal of Organic Chemistry, 2003, 68, 4977-4979
4022492 CIFC49 H90 O45C 1 2 119.21; 24.62; 15.707
90; 109.97; 90
6982Yu Liu; Zhi Fan; Heng-Yi Zhang; Ying-Wei Yang; Fei Ding; Shuang-Xi Liu; Xue Wu; Takehiko Wada; Yoshihisa Inoue
Supramolecular Self-Assemblies of β-Cyclodextrins with Aromatic Tethers: Factors Governing the Helical Columnar versus Linear Channel Superstructures
Journal of Organic Chemistry, 2003, 68, 8345-8352

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