Crystallography Open Database
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COD ID ![]() |
Links | Formula ![]() |
Space group ![]() |
Cell parameters | Cell volume ![]() |
Bibliography |
|---|---|---|---|---|---|---|
| 4020493 | CIF | C28 H36 N2 | P 1 21/n 1 | 12.066; 16.939; 12.505 90; 115.22; 90 | 2312.2 | Karine Jakubowicz; Yung-Sing Wong; Angèle Chiaroni; Michel Bénéchie; Christian Marazano New Polycyclic Diamine Scaffolds from Dimerization of 3-Alkyl-1,4-dihydropyridines in Acidic Medium Journal of Organic Chemistry, 2005, 70, 7780-7783 |
| 4020494 | CIF | C46 H62 N10 O8 | P 1 21/n 1 | 9.3064; 31.7893; 16.7359 90; 96.432; 90 | 4920.05 | Arnaud Salaün; Michel Potel; Thierry Roisnel; Philippe Gall; Philippe Le Grel Journal of Organic Chemistry, 2005, 70, 6499-6502 |
| 4020495 | CIF | C41 H52 N8 O8 | P -1 | 9.31; 13.8731; 17.3108 106.925; 101.196; 96.105 | 2066.4 | Arnaud Salaün; Michel Potel; Thierry Roisnel; Philippe Gall; Philippe Le Grel Journal of Organic Chemistry, 2005, 70, 6499-6502 |
| 4020496 | CIF | C54 H84 N12 O12 | P 1 21/n 1 | 12.7343; 23.3747; 19.9727 90; 94.989; 90 | 5922.56 | Arnaud Salaün; Michel Potel; Thierry Roisnel; Philippe Gall; Philippe Le Grel Journal of Organic Chemistry, 2005, 70, 6499-6502 |
| 4020497 | CIF | C38 H44 N2 O3 | P 21 21 21 | 11.0669; 13.257; 22.029 90; 90; 90 | 3232.1 | Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Bernabé Casado Chiral Template Mediated Diastereoselective Intramolecular Diels-Alder Reaction Using Furan as a Diene. Toward the Synthesis of Enantiopure Trisubstituted Tetrahydroepoxyisoindolones Journal of Organic Chemistry, 2005, 70, 7273-7278 |
| 4020498 | CIF | C22 H21 N O3 | P 1 21 1 | 5.6118; 16.53; 9.846 90; 98.642; 90 | 903 | Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Bernabé Casado Chiral Template Mediated Diastereoselective Intramolecular Diels-Alder Reaction Using Furan as a Diene. Toward the Synthesis of Enantiopure Trisubstituted Tetrahydroepoxyisoindolones Journal of Organic Chemistry, 2005, 70, 7273-7278 |
| 4020499 | CIF | C23 H23 N O4 | P 21 21 2 | 13.18; 16.3; 8.618 90; 90; 90 | 1852 | Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Bernabé Casado Chiral Template Mediated Diastereoselective Intramolecular Diels-Alder Reaction Using Furan as a Diene. Toward the Synthesis of Enantiopure Trisubstituted Tetrahydroepoxyisoindolones Journal of Organic Chemistry, 2005, 70, 7273-7278 |
| 4020500 | CIF | C10 H15 Cl O | I 41/a :2 | 23.604; 23.604; 13.515 90; 90; 90 | 7530 | María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate Journal of Organic Chemistry, 2005, 70, 7919-7924 |
| 4020501 | CIF | C11 H18 O4 S | C 1 2/c 1 | 32.987; 6.8136; 22.424 90; 111.084; 90 | 4702.6 | María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate Journal of Organic Chemistry, 2005, 70, 7919-7924 |
| 4020502 | CIF | C11 H18 O4 S | P -1 | 12.1189; 14.4813; 15.04 80.519; 78.775; 67.896 | 2386.5 | María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate Journal of Organic Chemistry, 2005, 70, 7919-7924 |
| 4020503 | CIF | C12 H18 O2 | P 1 21/c 1 | 8.355; 11.4931; 10.8936 90; 90.204; 90 | 1046.1 | María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate Journal of Organic Chemistry, 2005, 70, 7919-7924 |
| 4020504 | CIF | C11 H18 O3 S | C 1 2/c 1 | 24.277; 10.13; 9.365 90; 105.93; 90 | 2214.7 | María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate Journal of Organic Chemistry, 2005, 70, 7919-7924 |
| 4020505 | CIF | C11 H18 O3 S | C 1 2/c 1 | 24.44; 9.935; 9.545 90; 107.67; 90 | 2208.3 | María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate Journal of Organic Chemistry, 2005, 70, 7919-7924 |
| 4020506 | CIF | C15 H17 Cl2 N O5 | P 1 21/c 1 | 13.2845; 7.8086; 15.4619 90; 101.82; 90 | 1569.9 | Xiaoguang Lei; Nava Zaarur; Michael Y. Sherman; John A. Porco, Jr. Journal of Organic Chemistry, 2005, 70, 6474-6483 |
| 4020507 | CIF | C16 H15 N3 O5 | P 21 21 21 | 7.2933; 8.2345; 24.418 90; 90; 90 | 1466.4 | Xiaoguang Lei; Nava Zaarur; Michael Y. Sherman; John A. Porco, Jr. Journal of Organic Chemistry, 2005, 70, 6474-6483 |
| 4020508 | CIF | C14 H18 N O3 S | P 1 21/c 1 | 9.4064; 11.4106; 12.0893 90; 97.524; 90 | 1286.4 | William J. Layman, Jr.; Thomas D. Greenwood; Aaron L. Downey; James F. Wolfe Synthesis of 2H-1,2-Benzothiazine 1,1-Dioxides via Heteroannulation Reactions of 2-Iodobenzenesulfonamide with Ketone Enolates under S~RN1~ Conditions Journal of Organic Chemistry, 2005, 70, 9147-9155 |
| 4020509 | CIF | C30 H22 Cl I O | P b c a | 17.464; 12.6256; 22.5394 90; 90; 90 | 4969.8 | Yuanhong Liu; Feijie Song; Liqing Cong A Facile Zr-Mediated Approach to (Z)-Enynols and Its Application to Regio- and Stereoselective Synthesis of Fully Substituted Dihydrofurans Journal of Organic Chemistry, 2005, 70, 6999-7002 |
| 4020510 | CIF | C28 H26 Cl I O | P 1 21/c 1 | 14.7037; 16.0224; 20.793 90; 91.795; 90 | 4896.1 | Yuanhong Liu; Feijie Song; Liqing Cong A Facile Zr-Mediated Approach to (Z)-Enynols and Its Application to Regio- and Stereoselective Synthesis of Fully Substituted Dihydrofurans Journal of Organic Chemistry, 2005, 70, 6999-7002 |
| 4020511 | CIF | C17 H22 O6 | P 1 21 1 | 9.1952; 6.1777; 15.0039 90; 93.846; 90 | 850.38 | C. V. Ramana; Burgula Srinivas; Vedavati G. Puranik; Mukund K. Gurjar A Carbohydrate-Based Approach for the Total Synthesis of 1,3-Polyol/α-Pyrone Antifungal Natural Products Journal of Organic Chemistry, 2005, 70, 8216-8219 |
| 4020512 | CIF | C21 H39 N O7 Si | P -1 | 10.1483; 10.726; 12.8232 87.0184; 68.2598; 74.9384 | 1250.5 | Timothy J. Donohoe; Herman O. Sintim; Jackie Hollinshead A Noncarbohydrate Based Approach to Polyhydroxylated Pyrrolidizines: Total Syntheses of the Natural Products Hyacinthacine A~1~ and 1-Epiaustraline Journal of Organic Chemistry, 2005, 70, 7297-7304 |
| 4020513 | CIF | C22 H41 N O6 Si | P -1 | 7.9433; 11.9029; 14.884 72.988; 85.3368; 80.459 | 1326.3 | Timothy J. Donohoe; Herman O. Sintim; Jackie Hollinshead A Noncarbohydrate Based Approach to Polyhydroxylated Pyrrolidizines: Total Syntheses of the Natural Products Hyacinthacine A~1~ and 1-Epiaustraline Journal of Organic Chemistry, 2005, 70, 7297-7304 |
| 4020514 | CIF | C22 H28 O Si | P n a 21 | 9.164; 13.079; 34.4 90; 90; 90 | 4122.8 | Asunción Barbero; Yolanda Blanco; Francisco J. Pulido Silylcuprates from Allene and Their Reaction with α,β-Unsaturated Nitriles and Imines. Synthesis of Silylated Oxo Compounds Leading to Cyclopentane and Cycloheptane Ring Formation Journal of Organic Chemistry, 2005, 70, 6876-6883 |
| 4020515 | CIF | C24 H40 Cl N O2 | C 1 2/c 1 | 40.563; 6.287; 18.84 90; 93.912; 90 | 4793 | Caroline Roche; Katarína Kadlečíková; Amaël Veyron; Philippe Delair; Christian Philouze; Andrew E. Greene; David Flot; Manfred Burghammer New Asymmetric Approach to Natural Pyrrolizidines: Synthesis of (+)-Amphorogynine A, (+)-Amphorogynine D, and (+)-Retronecine Journal of Organic Chemistry, 2005, 70, 8352-8363 |
| 4020516 | CIF | C35 H28 O2 | C 1 2/c 1 | 27.38; 8.847; 22.82 90; 102.98; 90 | 5386.9 | Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms Journal of Organic Chemistry, 2005, 70, 8364-8371 |
| 4020517 | CIF | C35 H28 O2 | P 1 21/n 1 | 11.85; 17.988; 12.921 90; 113.523; 90 | 2525.3 | Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms Journal of Organic Chemistry, 2005, 70, 8364-8371 |
| 4020518 | CIF | C35 H28 O2 | P 1 21/c 1 | 11.467; 14.7091; 15.4076 90; 91.6973; 90 | 2597.7 | Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms Journal of Organic Chemistry, 2005, 70, 8364-8371 |
| 4020519 | CIF | C41 H34 O2 | P 1 21/c 1 | 9.0873; 35.735; 9.6538 90; 105.671; 90 | 3018.4 | Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms Journal of Organic Chemistry, 2005, 70, 8364-8371 |
| 4020520 | CIF | C37 H30 O | P -1 | 9.7136; 12.0508; 12.8856 107.365; 104.062; 97.428 | 1362.9 | Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms Journal of Organic Chemistry, 2005, 70, 8364-8371 |
| 4020521 | CIF | C30 H26 O2 | P 1 21/c 1 | 12.74; 13.449; 14.248 90; 115.2; 90 | 2209.02 | Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms Journal of Organic Chemistry, 2005, 70, 8364-8371 |
| 4020522 | CIF | C30 H26 O2 | P 1 21/a 1 | 15.503; 8.505; 16.954 90; 100.37; 90 | 2198.97 | Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms Journal of Organic Chemistry, 2005, 70, 8364-8371 |
| 4020523 | CIF | C22.5 H12.5 O S5.5 | P 1 21/m 1 | 8.6162; 22.137; 12.4884 90; 93.563; 90 | 2377.4 | Yu-Long Zhao; Qun Liu; Jing-Ping Zhang; Zhi-Qiang Liu Heteroatom-Substituted Expanded Radialenes: One-Pot Synthesis and Characterization of Expanded 1,3-Dithiolane[n]radialenes Journal of Organic Chemistry, 2005, 70, 6913-6917 |
| 4020524 | CIF | C17 H20 O4 S | P 1 21/c 1 | 6.58; 19.219; 12.656 90; 98.154; 90 | 1584 | Yu-Rong Yang; Wei-Dong Z. Li A Short Synthesis of 10-Hydroxy 7-Spirocyclopropanated Camphor Journal of Organic Chemistry, 2005, 70, 8224-8227 |
| 4020525 | CIF | C21 H22 Cl2 O6 | P -1 | 9.499; 10.891; 11.067 109.873; 112.697; 100.841 | 923.7 | 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 |
| 4020526 | CIF | C23 H22 Cl2 O4 | P -1 | 9.38; 9.968; 11.335 87.201; 81.854; 80.257 | 1033.7 | 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 |
| 4020527 | CIF | C23 H22 Cl2 O5 | P 1 21/c 1 | 10.061; 13.094; 15.974 90; 96.235; 90 | 2091.9 | 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 |
| 4020528 | CIF | C15 H13 Cl O3 | P 1 21/c 1 | 10.553; 14.93; 8.221 90; 96.27; 90 | 1287.5 | 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 |
| 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 |
| 4020530 | CIF | C23 H24 O5 | P -1 | 8.4475; 11.312; 21.111 93.876; 98.152; 107.681 | 1889.5 | 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 |
| 4020531 | CIF | C29 H28 O5 | P -1 | 9.871; 13.157; 19.747 82.266; 77.781; 71.274 | 2367.7 | 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 |
| 4020532 | CIF | C23 H23 N O7 | P 1 21/c 1 | 8.314; 18.175; 14.129 90; 91.634; 90 | 2134.1 | 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 |
| 4020533 | CIF | C14 H19 B O4 | P 1 21/c 1 | 24.683; 6.5797; 18.174 90; 109.077; 90 | 2789.5 | 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 |
| 4020534 | CIF | C31 H32 O6 | P 1 21/c 1 | 11.72; 10.93; 19.726 90; 90.018; 90 | 2526.9 | 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 |
| 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 |
| 4020536 | CIF | C56 H68 I4 O24 | P n a 21 | 19.7076; 14.2272; 23.536 90; 90; 90 | 6599.1 | Viktor V. Zhdankin; Alexey Y. Koposov; Dmitry N. Litvinov; Michael J. Ferguson; Robert McDonald; Thanh Luu; Rik R. Tykwinski Esters of 2-iodoxybenzoic acid (IBX-esters): hypervalent iodine oxidizing reagents with a pseudobenziodoxole structure Journal of Organic Chemistry, 2005, 70, 6484-6491 |
| 4020537 | CIF | C12 H13 I O7 | P -1 | 8.0018; 8.7268; 11.845 91.4834; 107.912; 114.697 | 703.56 | Viktor V. Zhdankin; Alexey Y. Koposov; Dmitry N. Litvinov; Michael J. Ferguson; Robert McDonald; Thanh Luu; Rik R. Tykwinski Esters of 2-iodoxybenzoic acid (IBX-esters): hypervalent iodine oxidizing reagents with a pseudobenziodoxole structure Journal of Organic Chemistry, 2005, 70, 6484-6491 |
| 4020538 | CIF | C11 H15 N O4 S | P 1 21 1 | 7.11; 10.412; 9.457 90; 110.29; 90 | 656.6 | Nigel A. Jones; Sergey A. Nepogodiev; Colin J. MacDonald; David L. Hughes; Robert A. Field Synthesis of the Branched-Chain Sugar Aceric Acid: A Unique Component of the Pectic Polysaccharide Rhamnogalacturonan-II Journal of Organic Chemistry, 2005, 70, 8556-8559 |
| 4020539 | CIF | C18 H21 N O4 S | P 1 21 1 | 13.754; 8.069; 8.041 90; 99.81; 90 | 879.4 | Nigel A. Jones; Sergey A. Nepogodiev; Colin J. MacDonald; David L. Hughes; Robert A. Field Synthesis of the Branched-Chain Sugar Aceric Acid: A Unique Component of the Pectic Polysaccharide Rhamnogalacturonan-II Journal of Organic Chemistry, 2005, 70, 8556-8559 |
| 4020540 | CIF | C23 H26 F3 N O2 | P 21 21 21 | 11.567; 13.101; 13.604 90; 90; 90 | 2061.6 | Hillary M. Peltier; Jonathan A. Ellman N-Sulfinyl Metalloenamine Conjugate Additions: Asymmetric Synthesis of Piperidines Journal of Organic Chemistry, 2005, 70, 7342-7345 |
| 4020541 | CIF | C12 H22 B O P | P 21 21 21 | 9.365; 10.6994; 13.7621 90; 90; 90 | 1378.96 | Yukitoshi Takahashi; Yoshikazu Yamamoto; Kosuke Katagiri; Hiroshi Danjo; Kentaro Yamaguchi; Tsuneo Imamoto P-Chiral o-Phosphinophenol as a P/O Hybrid Ligand: Preparation and Use in Cu-Catalyzed Asymmetric Conjugate Addition of Diethylzinc to Acyclic Enones Journal of Organic Chemistry, 2005, 70, 9009-9012 |
| 4020542 | CIF | C19 H28 O2 S | P 1 21 1 | 5.9478; 8.3754; 17.855 90; 97.62; 90 | 881.6 | Philippe James; François-Xavier Felpin; Yannick Landais; Kurt Schenk Free-Radical-5-exo-Trig Cyclization of Chiral 3-Silylhepta-1,6-dienes: Concise Approach to the A-B-C Ring Core of Hexacyclinic Acid Journal of Organic Chemistry, 2005, 70, 7985-7995 |
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