Crystallography Open Database
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COD ID ![]() |
Links | Formula ![]() |
Space group ![]() |
Cell parameters | Cell volume ![]() |
Bibliography |
|---|---|---|---|---|---|---|
| 4021096 | CIF | C15 H20 O3 | P 1 21/n 1 | 12.2308; 6.6948; 15.6664 90; 91.3727; 90 | 1282.44 | Sharanjeet K. Bagal; Robert M. Adlington; Jack E. Baldwin; Rodolfo Marquez Dimerization of Butenolide Structures. A Biomimetic Approach to the Dimeric Sesquiterpene Lactones (±)-Biatractylolide and (±)-Biepiasterolide Journal of Organic Chemistry, 2004, 69, 9100-9108 |
| 4021097 | CIF | C32 H34 N5 O2 | P -1 | 10.318; 11.071; 13.31 93.1; 100.37; 113.81 | 1354.7 | Bernátková, Markéta; Andrioletti, Bruno; Král, Vladimír; Rose, Eric; Vaissermann, Jacqueline Synthesis of Functionalmeso-Aryl Porphomonomethenes and Porphodimethenes: Application to the Preparation of a Chiral Calix[4]phyrin Dimer Journal of Organic Chemistry, 2004, 69, 8140-8143 |
| 4021098 | CIF | C24 H20 N2 | C 1 2/c 1 | 23.22; 9.111; 16.23 90; 90.176; 90 | 3433.4 | Masashi Watanabe; Hiroshi Suzuki; Yasutaka Tanaka; Toshimasa Ishida; Tatsuo Oshikawa; Akiyoshi Tori-i One-Pot Synthesis of Helical Aromatics: Stereoselectivity, Stability against Racemization, and Assignment of Absolute Configuration Assisted by Experimental and Theoretical Circular Dichroism Journal of Organic Chemistry, 2004, 69, 7794-7801 |
| 4021099 | CIF | C24 H18 N2 | P 1 21/n 1 | 7.98; 12.096; 17.014 90; 90.122; 90 | 1642.4 | Masashi Watanabe; Hiroshi Suzuki; Yasutaka Tanaka; Toshimasa Ishida; Tatsuo Oshikawa; Akiyoshi Tori-i One-Pot Synthesis of Helical Aromatics: Stereoselectivity, Stability against Racemization, and Assignment of Absolute Configuration Assisted by Experimental and Theoretical Circular Dichroism Journal of Organic Chemistry, 2004, 69, 7794-7801 |
| 4021100 | CIF | C14 H22 O5 | P 21 21 21 | 5.546; 9.811; 26.178 90; 90; 90 | 1424.2 | Douglass F. Taber; Yongchun Pan; Xia Zhao A Flexible Enantioselective Synthesis of the Isofurans Journal of Organic Chemistry, 2004, 69, 7234-7240 |
| 4021101 | CIF | C18 H25 O5 P | P -1 | 8.0217; 8.1608; 14.4538 83.446; 76.332; 89.241 | 913.3 | Tim Brenstrum; David A. Gerristma; George M. Adjabeng; Christopher S. Frampton; James Britten; Alan J. Robertson; James McNulty; Alfredo Capretta Phosphaadamantanes as Ligands for Palladium Catalyzed Cross-Coupling Chemistry: Library Synthesis, Characterization, and Screening in the Suzuki Coupling of Alkyl Halides and Tosylates Containing β-Hydrogens with Boronic Acids and Alkylboranes Journal of Organic Chemistry, 2004, 69, 7635-7639 |
| 4021102 | CIF | C73 H54 Br4 Cl2 N4 O8 | P -1 | 10.9311; 14.0064; 21.9075 72.605; 81.323; 70.889 | 3019.13 | Frank Würthner; Vladimir Stepanenko; Zhijian Chen; Chantu R. Saha-Möller; Nikolaus Kocher; Dietmar Stalke Preparation and Characterization of Regioisomerically Pure 1,7-Disubstituted Perylene Bisimide Dyes Journal of Organic Chemistry, 2004, 69, 7933-7939 |
| 4021103 | CIF | C23 H22 | P -1 | 9.8109; 10.142; 17.835 79.941; 79.903; 89.979 | 1719.4 | Gon-Ann Lee; Chih-Yi Chang Novel Ene Trimerization of 1-Phenylcyclopropene Journal of Organic Chemistry, 2004, 69, 8949-8951 |
| 4021104 | CIF | C18 H16 | A e a 2 | 10.625; 17.084; 7.5931 90; 90; 90 | 1378.2 | Gon-Ann Lee; Chih-Yi Chang Novel Ene Trimerization of 1-Phenylcyclopropene Journal of Organic Chemistry, 2004, 69, 8949-8951 |
| 4021105 | CIF | C32 H30 | P 21 21 21 | 8.5785; 14.193; 19.42 90; 90; 90 | 2364.4 | Gon-Ann Lee; Chih-Yi Chang Novel Ene Trimerization of 1-Phenylcyclopropene Journal of Organic Chemistry, 2004, 69, 8949-8951 |
| 4021106 | CIF | C12 H15 N O3 | P 1 21/c 1 | 13.831; 8.845; 13.595 90; 42.811; 90 | 1130.2 | Naoki Kise; Kengo Ohya; Kie Arimoto; Yutaka Yamashita; Yuuki Hirano; Tadahiro Ono; Nasuo Ueda Electroreductive Intramolecular Coupling of Aromatic β- and γ-Imino Esters: A New Synthetic Method for N-Alkoxycarbonyl-2-aryl-3-ones and cis-2-Aryl-3-ols of Pyrrolidines and Piperidines Journal of Organic Chemistry, 2004, 69, 7710-7719 |
| 4021107 | CIF | C13 H14 N2 O3 | P 1 21/a 1 | 9.9726; 12.5133; 10.5966 90; 110.642; 90 | 1237.5 | Naoki Kise; Kengo Ohya; Kie Arimoto; Yutaka Yamashita; Yuuki Hirano; Tadahiro Ono; Nasuo Ueda Electroreductive Intramolecular Coupling of Aromatic β- and γ-Imino Esters: A New Synthetic Method for N-Alkoxycarbonyl-2-aryl-3-ones and cis-2-Aryl-3-ols of Pyrrolidines and Piperidines Journal of Organic Chemistry, 2004, 69, 7710-7719 |
| 4021108 | CIF | C12 H14 F N O3 | P 1 21/c 1 | 13.994; 8.865; 13.764 90; 42.472; 90 | 1153 | Naoki Kise; Kengo Ohya; Kie Arimoto; Yutaka Yamashita; Yuuki Hirano; Tadahiro Ono; Nasuo Ueda Electroreductive Intramolecular Coupling of Aromatic β- and γ-Imino Esters: A New Synthetic Method for N-Alkoxycarbonyl-2-aryl-3-ones and cis-2-Aryl-3-ols of Pyrrolidines and Piperidines Journal of Organic Chemistry, 2004, 69, 7710-7719 |
| 4021109 | CIF | C13 H17 N O3 | P 1 21/a 1 | 15.495; 10.946; 15.325 90; 27.877; 90 | 1215.3 | Naoki Kise; Kengo Ohya; Kie Arimoto; Yutaka Yamashita; Yuuki Hirano; Tadahiro Ono; Nasuo Ueda Electroreductive Intramolecular Coupling of Aromatic β- and γ-Imino Esters: A New Synthetic Method for N-Alkoxycarbonyl-2-aryl-3-ones and cis-2-Aryl-3-ols of Pyrrolidines and Piperidines Journal of Organic Chemistry, 2004, 69, 7710-7719 |
| 4021110 | CIF | C14 H19 N O4 | P 1 21/c 1 | 9.717; 9.665; 14.758 90; 105.305; 90 | 1336.8 | Naoki Kise; Kengo Ohya; Kie Arimoto; Yutaka Yamashita; Yuuki Hirano; Tadahiro Ono; Nasuo Ueda Electroreductive Intramolecular Coupling of Aromatic β- and γ-Imino Esters: A New Synthetic Method for N-Alkoxycarbonyl-2-aryl-3-ones and cis-2-Aryl-3-ols of Pyrrolidines and Piperidines Journal of Organic Chemistry, 2004, 69, 7710-7719 |
| 4021111 | CIF | C21 H23 Br2 N O2 | P -1 | 9.669; 10.054; 11.307 94.398; 97.815; 110.743 | 1009 | Chi-Lik Ken Lee; Hui Yvonne Ling; Teck-Peng Loh Asymmetric Synthesis of C-Aliphatic Homoallylic Amines and Biologically Important Cyclohexenylamine Analogues Journal of Organic Chemistry, 2004, 69, 7787-7789 |
| 4021112 | CIF | C12 H16 N2 O5 | P 21 21 21 | 7.062; 12.245; 13.548 90; 90; 90 | 1171.6 | Leo A. Paquette; Christopher K. Seekamp; Alexandra L. Kahane; David G. Hilmey; Judith Gallucci Stereochemical Features of Lewis Acid-Promoted Glycosidations Involving 4'-Spiroannulated DNA Building Blocks Journal of Organic Chemistry, 2004, 69, 7442-7447 |
| 4021113 | CIF | C20 H12 N2 | P n n m | 14.7183; 4.8658; 10.0319 90; 90; 90 | 718.45 | Ken-Tsung Wong; Fu-Chuan Fang; Yi-Ming Cheng; Pi-Tai Chou; Gene-Hsiang Lee; Yu Wang A New Series of Pyrimidine-Containing Linear Molecules: Their Elegant Crystal Structures and Intriguing Photophysical Properties Journal of Organic Chemistry, 2004, 69, 8038-8044 |
| 4021114 | CIF | C25 H20 N2 Si | P b c a | 9.6168; 11.2035; 38.984 90; 90; 90 | 4200.3 | Ken-Tsung Wong; Fu-Chuan Fang; Yi-Ming Cheng; Pi-Tai Chou; Gene-Hsiang Lee; Yu Wang A New Series of Pyrimidine-Containing Linear Molecules: Their Elegant Crystal Structures and Intriguing Photophysical Properties Journal of Organic Chemistry, 2004, 69, 8038-8044 |
| 4021115 | CIF | C22 H12 N2 | P 1 21/c 1 | 5.9231; 31.2133; 8.74 90; 96.274; 90 | 1606.17 | Ken-Tsung Wong; Fu-Chuan Fang; Yi-Ming Cheng; Pi-Tai Chou; Gene-Hsiang Lee; Yu Wang A New Series of Pyrimidine-Containing Linear Molecules: Their Elegant Crystal Structures and Intriguing Photophysical Properties Journal of Organic Chemistry, 2004, 69, 8038-8044 |
| 4021116 | CIF | C13 H20 O4 | P -1 | 7.3076; 8.6592; 11.541 81.154; 85.562; 67.839 | 668.14 | Joaquin Montalt; Frédéric Linker; Frédéric Ratel; Michel Miesch Synthesis of Bicyclo[4.n.1]alkanones Journal of Organic Chemistry, 2004, 69, 6715-6721 |
| 4021117 | CIF | C39 H45 Cl4 N5 O18 | P 1 21 1 | 10.355; 10.513; 21.439 90; 93.1; 90 | 2330.5 | Robert S. Coleman; François-Xavier Felpin; Wei Chen Mitomycin Synthetic Studies: Stereocontrolled and Convergent Synthesis of a Fully Elaborated Aziridinomitosane Journal of Organic Chemistry, 2004, 69, 7309-7316 |
| 4021118 | CIF | C15 H16 N2 O7 S | P 21 21 21 | 11.139; 19.073; 7.848 90; 90; 90 | 1667.3 | Veejendra K. Yadav; Govindaraji Senthil; Latika Singh; Masood Parvez On the Reaction of 1-Oxa-4-thiaspiro[4.5]decan-7-one with PhLi. A Reinvestigation Journal of Organic Chemistry, 2004, 69, 8131-8132 |
| 4021119 | CIF | C33 H44 N2 O2 Si | P 1 21/c 1 | 15.564; 10.347; 19.165 90; 95.71; 90 | 3071 | Vladimir O. Smirnov; Sema L. Ioffe; Alexander A. Tishkov; Yulia A. Khomutova; Ivan D. Nesterov; Michael Yu. Antipin; William A. Smit; Vladimir A. Tartakovsky New C-C Coupling Reaction of Cyclic Nitronates with Carbon Nucleophiles. Umpolung of the Conventional Reactivity of Nitronates Journal of Organic Chemistry, 2004, 69, 8485-8488 |
| 4021120 | CIF | C21 H35 N O5 Si | P 1 21/n 1 | 6.1304; 21.194; 17.429 90; 95.4; 90 | 2254.4 | Vladimir O. Smirnov; Sema L. Ioffe; Alexander A. Tishkov; Yulia A. Khomutova; Ivan D. Nesterov; Michael Yu. Antipin; William A. Smit; Vladimir A. Tartakovsky New C-C Coupling Reaction of Cyclic Nitronates with Carbon Nucleophiles. Umpolung of the Conventional Reactivity of Nitronates Journal of Organic Chemistry, 2004, 69, 8485-8488 |
| 4021121 | CIF | C22 H37 N O6 Si | P 21 21 21 | 11.21; 13.483; 16.459 90; 90; 90 | 2487.6 | Vladimir O. Smirnov; Sema L. Ioffe; Alexander A. Tishkov; Yulia A. Khomutova; Ivan D. Nesterov; Michael Yu. Antipin; William A. Smit; Vladimir A. Tartakovsky New C-C Coupling Reaction of Cyclic Nitronates with Carbon Nucleophiles. Umpolung of the Conventional Reactivity of Nitronates Journal of Organic Chemistry, 2004, 69, 8485-8488 |
| 4021122 | CIF | C22 H35 N O6 Si | P 1 21/c 1 | 12.887; 16.592; 11.512 90; 98.406; 90 | 2435.2 | Vladimir O. Smirnov; Sema L. Ioffe; Alexander A. Tishkov; Yulia A. Khomutova; Ivan D. Nesterov; Michael Yu. Antipin; William A. Smit; Vladimir A. Tartakovsky New C-C Coupling Reaction of Cyclic Nitronates with Carbon Nucleophiles. Umpolung of the Conventional Reactivity of Nitronates Journal of Organic Chemistry, 2004, 69, 8485-8488 |
| 4021123 | CIF | C22 H34 N2 O8 Si | P -1 | 8.733; 11.707; 13.866 98.03; 100.88; 99.88 | 1349.6 | Vladimir O. Smirnov; Sema L. Ioffe; Alexander A. Tishkov; Yulia A. Khomutova; Ivan D. Nesterov; Michael Yu. Antipin; William A. Smit; Vladimir A. Tartakovsky New C-C Coupling Reaction of Cyclic Nitronates with Carbon Nucleophiles. Umpolung of the Conventional Reactivity of Nitronates Journal of Organic Chemistry, 2004, 69, 8485-8488 |
| 4021124 | CIF | C22 H37 N O4 Si | P -1 | 9.423; 9.858; 13.376 78.856; 75.572; 82.53 | 1176.3 | Vladimir O. Smirnov; Sema L. Ioffe; Alexander A. Tishkov; Yulia A. Khomutova; Ivan D. Nesterov; Michael Yu. Antipin; William A. Smit; Vladimir A. Tartakovsky New C-C Coupling Reaction of Cyclic Nitronates with Carbon Nucleophiles. Umpolung of the Conventional Reactivity of Nitronates Journal of Organic Chemistry, 2004, 69, 8485-8488 |
| 4021125 | CIF | C10 H15 N3 O8 | P 1 21 1 | 9.23; 7.452; 18.389 90; 95.39; 90 | 1259.3 | Jinhua Chen; Thota Sambaiah; Boris Illarionov; Markus Fischer; Adelbert Bacher; Mark Cushman Design, Synthesis, and Evaluation of Acyclic C-Nucleoside and N-Methylated Derivatives of the Ribitylaminopyrimidine Substrate of Lumazine Synthase as Potential Enzyme Inhibitors and Mechanistic Probes Journal of Organic Chemistry, 2004, 69, 6996-7003 |
| 4021126 | CIF | C18 H27 N3 O10 | P 21 21 2 | 20.4218; 12.1169; 8.5406 90; 90; 90 | 2113.36 | Jinhua Chen; Thota Sambaiah; Boris Illarionov; Markus Fischer; Adelbert Bacher; Mark Cushman Design, Synthesis, and Evaluation of Acyclic C-Nucleoside and N-Methylated Derivatives of the Ribitylaminopyrimidine Substrate of Lumazine Synthase as Potential Enzyme Inhibitors and Mechanistic Probes Journal of Organic Chemistry, 2004, 69, 6996-7003 |
| 4021127 | CIF | C27 H24 N6 O3 | P -1 | 8.5933; 11.568; 24.985 81.38; 81.034; 78.366 | 2384.8 | Monika Mazik; Wolfgang Radunz; Roland Boese Molecular Recognition of Carbohydrates with Acyclic Pyridine-Based Receptors Journal of Organic Chemistry, 2004, 69, 7448-7462 |
| 4021128 | CIF | C29 H30 N6 O5 | P -1 | 4.8751; 14.134; 19.687 93.62; 95.106; 90.008 | 1348.4 | Monika Mazik; Wolfgang Radunz; Roland Boese Molecular Recognition of Carbohydrates with Acyclic Pyridine-Based Receptors Journal of Organic Chemistry, 2004, 69, 7448-7462 |
| 4021129 | CIF | C30 H30 N6 O3 | P -1 | 14.4095; 14.4662; 15.2004 104.882; 93.929; 119.408 | 2595.4 | Monika Mazik; Wolfgang Radunz; Roland Boese Molecular Recognition of Carbohydrates with Acyclic Pyridine-Based Receptors Journal of Organic Chemistry, 2004, 69, 7448-7462 |
| 4021130 | CIF | C37 H54 N6 O4 | P 1 21/c 1 | 8.877; 15.091; 27.207 90; 95.819; 90 | 3626 | Monika Mazik; Wolfgang Radunz; Roland Boese Molecular Recognition of Carbohydrates with Acyclic Pyridine-Based Receptors Journal of Organic Chemistry, 2004, 69, 7448-7462 |
| 4021131 | CIF | C38 H54 N6 O | P -1 | 8.588; 14.619; 15.233 66.06; 86.84; 88.45 | 1745 | Monika Mazik; Wolfgang Radunz; Roland Boese Molecular Recognition of Carbohydrates with Acyclic Pyridine-Based Receptors Journal of Organic Chemistry, 2004, 69, 7448-7462 |
| 4021132 | CIF | C20 H22 S | P 21 21 21 | 9.4343; 16.7187; 19.8233 90; 90; 90 | 3126.7 | Antonella Converso; Pierre-Loïc Saaidi; K. Barry Sharpless; M. G. Finn Nucleophilic Substitution by Grignard Reagents on Sulfur Mustards Journal of Organic Chemistry, 2004, 69, 7336-7339 |
| 4021133 | CIF | C22 H26 S | P b c n | 17.9083; 12.7853; 7.5734 90; 90; 90 | 1734.03 | Antonella Converso; Pierre-Loïc Saaidi; K. Barry Sharpless; M. G. Finn Nucleophilic Substitution by Grignard Reagents on Sulfur Mustards Journal of Organic Chemistry, 2004, 69, 7336-7339 |
| 4021134 | CIF | C17 H19 N O2 | P -1 | 9.2092; 11.5236; 16.45 95.221; 106.244; 113.528 | 1495.4 | Deevi Basavaiah; Jamjanam Srivardhana Rao; Raju Jannapu Reddy Simple, Facile, and One-Pot Conversion of the Baylis-Hillman Adducts into Functionalized 1,2,3,4-Tetrahydroacridines and Cyclopenta[b]quinolines Journal of Organic Chemistry, 2004, 69, 7379-7382 |
| 4021135 | CIF | C8 H13 N O3 | P 1 21/c 1 | 6.1344; 6.792; 19.8293 90; 91.321; 90 | 825.97 | Albert Padwa; Andrew C. Flick; Carolyn A. Leverett; Thomas Stengel Rhodium(II)-Catalyzed Aziridination of Allyl-Substituted Sulfonamides and Carbamates Journal of Organic Chemistry, 2004, 69, 6377-6386 |
| 4021136 | CIF | C21 H22 N2 O7 S | P -1 | 9.3469; 10.9441; 11.2608 92.297; 103.474; 105.36 | 1073.8 | Albert Padwa; Andrew C. Flick; Carolyn A. Leverett; Thomas Stengel Rhodium(II)-Catalyzed Aziridination of Allyl-Substituted Sulfonamides and Carbamates Journal of Organic Chemistry, 2004, 69, 6377-6386 |
| 4021137 | CIF | C19 H16 N2 O5 S | P 1 21/n 1 | 9.4627; 13.6632; 14.2294 90; 100.514; 90 | 1808.8 | Albert Padwa; Andrew C. Flick; Carolyn A. Leverett; Thomas Stengel Rhodium(II)-Catalyzed Aziridination of Allyl-Substituted Sulfonamides and Carbamates Journal of Organic Chemistry, 2004, 69, 6377-6386 |
| 4021138 | CIF | C15 H16 Br2 O7 | P 21 21 21 | 10.0638; 11.7036; 28.824 90; 90; 90 | 3395 | Phillip M. Pelphrey; Khalil A. Abboud; Dennis L. Wright New Chiral Building Blocks from Tetrabromocyclopropene and Furan Journal of Organic Chemistry, 2004, 69, 6931-6933 |
| 4021139 | CIF | C20 H35 N O Si | P 1 21/n 1 | 7.127; 13.154; 22.324 90; 97.622; 90 | 2074.4 | Ramaiah Kumareswaran; Seunghoon Shin; Isabelle Gallou; T. V. RajanBabu Silylstannylation of Allenes and Silylstannylation-Cyclization of Allenynes. Synthesis of Highly Functionalized Allylstannanes and Carbocyclic and Heterocyclic Compounds Journal of Organic Chemistry, 2004, 69, 7157-7170 |
| 4021140 | CIF | C19 H23 Cl O7 S | P 21 21 21 | 6.851; 12.26; 25.615 90; 90; 90 | 2151.6 | M. Teresa Barros; Anthony J. Burke; Ji-Dong Lou; Christopher D. Maycock; Jorge R. Wahnon Highly Stereoselective Aldol Reaction for the Synthesis of γ-Lactones Starting from Tartaric Acid Journal of Organic Chemistry, 2004, 69, 7847-7850 |
| 4021141 | CIF | C10 H10 F3 N O7 | P -1 | 5.139; 7.391; 16.684 98.61; 96.12; 94.06 | 620.55 | Matthias Pohlman; Uli Kazmaier; Thomas Lindner Allylic Alkylation versus Michael Induced Ring Closure: Chelated Enolates as Versatile Nucleophiles Journal of Organic Chemistry, 2004, 69, 6909-6912 |
| 4021142 | CIF | C20 H22 O6 | C 1 2/c 1 | 15.6283; 8.0588; 13.8592 90; 100.936; 90 | 1713.8 | Carl F. Nising; Ulrike K. Schmid; Martin Nieger; Stefan Bräse A New Protocol for the One-Pot Synthesis of Symmetrical Biaryls Journal of Organic Chemistry, 2004, 69, 6830-6833 |
| 4021143 | CIF | C16 H22 N O4 P | C 1 2 1 | 32.185; 6.201; 9.169 90; 96.37; 90 | 1818.6 | William 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 |
| 4021144 | CIF | C15 H22 O10 | P 21 21 21 | 5.7353; 9.2941; 34.062 90; 90; 90 | 1815.66 | Julien 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 |
| 4021145 | CIF | C30.5 H35.25 O7.125 | C 1 2 1 | 18.5623; 13.087; 24.018 90; 97.433; 90 | 5785.5 | Julien 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 |
| 4021146 | CIF | C24 H24 N2 O6 | P 1 21/n 1 | 8.0914; 13.6806; 20.184 90; 96.903; 90 | 2218 | Jiang Zhu; Xiao-Zhong Wang; Ying-Qi Chen; Xi-Kui Jiang; Xin-Zhi Chen; Zhan-Ting Li Hydrogen-Bonding-Induced Planar, Rigid, and Zigzag Oligoanthranilamides. Synthesis, Characterization, and Self-Assembly of a Metallocyclophane Journal of Organic Chemistry, 2004, 69, 6221-6227 |
| 4021147 | CIF | C44 H43 Cl9 N4 O11 | P 1 21/n 1 | 15.7375; 12.7613; 26.079 90; 99.529; 90 | 5165.3 | Jiang Zhu; Xiao-Zhong Wang; Ying-Qi Chen; Xi-Kui Jiang; Xin-Zhi Chen; Zhan-Ting Li Hydrogen-Bonding-Induced Planar, Rigid, and Zigzag Oligoanthranilamides. Synthesis, Characterization, and Self-Assembly of a Metallocyclophane Journal of Organic Chemistry, 2004, 69, 6221-6227 |
| 4021148 | CIF | C30 H34 N2 O8 S2 | P -1 | 11.2372; 11.9537; 13.4405 108.688; 101.864; 110.031 | 1502.52 | Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes Journal of Organic Chemistry, 2004, 69, 6697-6705 |
| 4021149 | CIF | C16 H19 N O4 S | P 1 21/c 1 | 7.8742; 10.9568; 18.8676 90; 95.066; 90 | 1621.46 | Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes Journal of Organic Chemistry, 2004, 69, 6697-6705 |
| 4021150 | CIF | C16 H19 N O4 S | P b c a | 11.8392; 13.5708; 19.6855 90; 90; 90 | 3162.8 | Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes Journal of Organic Chemistry, 2004, 69, 6697-6705 |
| 4021151 | CIF | C21 H21 N O4 S | P 1 21/c 1 | 22.7714; 7.0844; 12.2938 90; 105; 90 | 1915.7 | Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes Journal of Organic Chemistry, 2004, 69, 6697-6705 |
| 4021152 | CIF | C42 H21 N2 O8 S2 | P -1 | 11.5464; 12.6654; 13.7559 76.689; 78.49; 76.086 | 1877.91 | Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes Journal of Organic Chemistry, 2004, 69, 6697-6705 |
| 4021153 | CIF | C21 H21 N O4 S | P -1 | 8.3786; 10.0236; 11.8815 72.928; 82.031; 88.454 | 944.57 | Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes Journal of Organic Chemistry, 2004, 69, 6697-6705 |
| 4021154 | CIF | C17 H17 N O5 S | P 1 21/c 1 | 15.5582; 6.2066; 17.6759 90; 103.869; 90 | 1657.09 | Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes Journal of Organic Chemistry, 2004, 69, 6697-6705 |
| 4021155 | CIF | C14 H26 O2 Si4 | P 1 21/c 1 | 10.65; 9.1599; 11.4988 90; 115.191; 90 | 1015.06 | Ya-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 |
| 4021156 | CIF | C14 H18 O2 Si2 | P b c a | 9.0501; 10.546; 31.943 90; 90; 90 | 3048.7 | Ya-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 |
| 4021157 | CIF | C19 H27 N O3 Si2 | C 1 2 1 | 27.813; 6.2336; 13.4923 90; 109.808; 90 | 2200.8 | Ya-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 |
| 4021158 | CIF | C15 H22 O Si2 | P 1 21/c 1 | 6.1392; 14.1715; 18.568 90; 95.938; 90 | 1606.8 | Ya-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 |
| 4021159 | CIF | C16 H24 O Si2 | P -1 | 6.1627; 10.0079; 14.704 70.28; 79.425; 83.012 | 837.5 | Ya-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 |
| 4021160 | CIF | C20 H28 O2 Si4 | P 1 21/c 1 | 12.861; 8.918; 10.364 90; 102.577; 90 | 1160.1 | Ya-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 |
| 4021161 | CIF | C15 H14 O | P -1 | 8.9168; 10.1941; 10.4065 104.682; 114.636; 91.116 | 823.29 | Ya-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 |
| 4021162 | CIF | C19 H32 O3 Si4 | P 1 c 1 | 16.5047; 9.6141; 15.5962 90; 99.292; 90 | 2442.3 | Ya-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 |
| 4021163 | CIF | C26 H29.5 Br2 N8 O3.75 | P 1 21/m 1 | 10.575; 15.203; 18.436 90; 91.464; 90 | 2963 | Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies Journal of Organic Chemistry, 2004, 69, 7640-7652 |
| 4021164 | CIF | C30 H24 N4 O2 | C 1 2/c 1 | 15.166; 11.716; 14.637 90; 120.821; 90 | 2233.5 | Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies Journal of Organic Chemistry, 2004, 69, 7640-7652 |
| 4021165 | CIF | C22 H25 Br2 N5 O | P -1 | 8.8032; 9.5861; 14 80.508; 84.667; 78.382 | 1139.2 | Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies Journal of Organic Chemistry, 2004, 69, 7640-7652 |
| 4021166 | CIF | C25 H31 Br2 N5 O | P 1 21/c 1 | 8.765; 11.6935; 25.16 90; 96.921; 90 | 2560 | Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies Journal of Organic Chemistry, 2004, 69, 7640-7652 |
| 4021167 | CIF | C31.5 H46 Br2 N4 O2.5 | P 1 21/c 1 | 18.661; 23.019; 15.0869 90; 101.066; 90 | 6360.2 | Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies Journal of Organic Chemistry, 2004, 69, 7640-7652 |
| 4021168 | CIF | C25 H32 Br2 N4 O2 | P 1 21/c 1 | 9.7626; 13.5268; 19.073 90; 91.604; 90 | 2517.7 | Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies Journal of Organic Chemistry, 2004, 69, 7640-7652 |
| 4021169 | CIF | C33 H50 Br2 N4 O5 | P -1 | 10.5409; 13.3867; 14.198 92.181; 105.02; 112.622 | 1764.7 | Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies Journal of Organic Chemistry, 2004, 69, 7640-7652 |
| 4021170 | CIF | C28 H41 Br2 N4 O4 | P 42/m n m | 13.625; 13.625; 17.1 90; 90; 90 | 3174 | Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies Journal of Organic Chemistry, 2004, 69, 7640-7652 |
| 4021171 | CIF | C23 H26 Br2 N4 O | P -1 | 8.8418; 11.978; 12.1904 69.056; 89.769; 72.941 | 1145.33 | Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies Journal of Organic Chemistry, 2004, 69, 7640-7652 |
| 4021172 | CIF | C43 H47 Cl N2 O7 | R -3 :R | 27.211; 27.211; 27.211 118.6; 118.6; 118.6 | 6150 | Ana I. Oliva; Luis Simón; Francisco M. Muñiz; Francisca Sanz; Caridad Ruiz-Valero; Joaquń R. Morán Chromogenic Charge Transfer Cleft-Type Tetrahydrobenzoxanthene Enantioselective Receptors for Dinitrobenzoylamino Acids Journal of Organic Chemistry, 2004, 69, 6883-6885 |
| 4021173 | CIF | C51 H54 Cl N7 O11 | C 1 c 1 | 35.941; 13.913; 25.759 90; 116.022; 90 | 11574.8 | Ana I. Oliva; Luis Simón; Francisco M. Muñiz; Francisca Sanz; Caridad Ruiz-Valero; Joaquń R. Morán Chromogenic Charge Transfer Cleft-Type Tetrahydrobenzoxanthene Enantioselective Receptors for Dinitrobenzoylamino Acids Journal of Organic Chemistry, 2004, 69, 6883-6885 |
| 4021174 | CIF | C19 H18 O6 | P 1 21/c 1 | 12.212; 9.663; 14.228 90; 97.366; 90 | 1665.11 | Radan Schiller; Milan Pour; Helena Fáková; Jiři Kuneš; Ivana Císařová Neighboring Group Effect in Pd-Catalyzed Carbonylation Terminated by Lactonization: A Need for a Protective Group and/or DMF Journal of Organic Chemistry, 2004, 69, 6761-6765 |
| 4021175 | CIF | C23 H25 N O3 | P 1 21 1 | 12.112; 6.291; 13.038 90; 98.248; 90 | 983.1 | Yuka Kobayashi; Toshie Kurasawa; Kazushi Kinbara; Kazuhiko Saigo Rational Design of CH/π Interaction Sites in a Basic Resolving Agent Journal of Organic Chemistry, 2004, 69, 7436-7441 |
| 4021176 | CIF | C26 H31 N O3 | P 1 21 1 | 10.04; 6.261; 17.58 90; 95.48; 90 | 1100 | Yuka Kobayashi; Toshie Kurasawa; Kazushi Kinbara; Kazuhiko Saigo Rational Design of CH/π Interaction Sites in a Basic Resolving Agent Journal of Organic Chemistry, 2004, 69, 7436-7441 |
| 4021177 | CIF | C23 H25 N O3 | P 1 21 1 | 12.81; 6.099; 12.65 90; 95.28; 90 | 984.1 | Yuka Kobayashi; Toshie Kurasawa; Kazushi Kinbara; Kazuhiko Saigo Rational Design of CH/π Interaction Sites in a Basic Resolving Agent Journal of Organic Chemistry, 2004, 69, 7436-7441 |
| 4021178 | CIF | C19 H23 N O3 | P 1 | 11.206; 13.618; 5.869 97.73; 99.51; 75.43 | 850.9 | Yuka Kobayashi; Toshie Kurasawa; Kazushi Kinbara; Kazuhiko Saigo Rational Design of CH/π Interaction Sites in a Basic Resolving Agent Journal of Organic Chemistry, 2004, 69, 7436-7441 |
| 4021179 | CIF | C11 H11 N3 O3 | P 1 21/c 1 | 8.8931; 11.851; 10.408 90; 97.25; 90 | 1088.2 | Per Wiklund; Mark Rogers-Evans; Jan Bergman Synthesis of 1,4-Benzodiazepine-3,5-diones Journal of Organic Chemistry, 2004, 69, 6371-6376 |
| 4021180 | CIF | C18 H11 N | P 21 21 21 | 4.996; 14.473; 16.455 90; 90; 90 | 1189.81 | Srinivasan Selvi; Shih-Chieh Pu; Yi-Ming Cheng; Jim-Min Fang; Pi-Tai Chou Highly Fluorescent Pyreno[2,1-b]pyrroles: First Syntheses, Crystal Structure, and Intriguing Photophysical Properties Journal of Organic Chemistry, 2004, 69, 6674-6678 |
| 4021181 | CIF | C23 H16 N O2 | P -1 | 7.832; 7.982; 15.775 97.1; 96.593; 117.374 | 852.39 | Srinivasan Selvi; Shih-Chieh Pu; Yi-Ming Cheng; Jim-Min Fang; Pi-Tai Chou Highly Fluorescent Pyreno[2,1-b]pyrroles: First Syntheses, Crystal Structure, and Intriguing Photophysical Properties Journal of Organic Chemistry, 2004, 69, 6674-6678 |
| 4021182 | CIF | C51 H43 Cl N3 P Pd | P 21 21 21 | 10.6243; 16.1488; 23.9876 90; 90; 90 | 4115.55 | David J. Connolly; Patrick M. Lacey; Mary McCarthy; Cormac P. Saunders; Anne-Marie Carroll; Richard Goddard; Patrick J. Guiry Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration Journal of Organic Chemistry, 2004, 69, 6572-6589 |
| 4021183 | CIF | C48 H45 Cl N3 P Pd | P 21 21 21 | 13.2921; 14.3043; 21.8897 90; 90; 90 | 4161.98 | David J. Connolly; Patrick M. Lacey; Mary McCarthy; Cormac P. Saunders; Anne-Marie Carroll; Richard Goddard; Patrick J. Guiry Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration Journal of Organic Chemistry, 2004, 69, 6572-6589 |
| 4021184 | CIF | C46 H39 Cl6 F6 N3 P2 Pd | P 21 21 21 | 13.207; 13.9716; 25.6685 90; 90; 90 | 4736.4 | David J. Connolly; Patrick M. Lacey; Mary McCarthy; Cormac P. Saunders; Anne-Marie Carroll; Richard Goddard; Patrick J. Guiry Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration Journal of Organic Chemistry, 2004, 69, 6572-6589 |
| 4021185 | CIF | C45 H39.4 F6 N3 O0.2 P2 Pd | P 21 21 21 | 11.4972; 15.6101; 21.7615 90; 90; 90 | 3905.59 | David J. Connolly; Patrick M. Lacey; Mary McCarthy; Cormac P. Saunders; Anne-Marie Carroll; Richard Goddard; Patrick J. Guiry Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration Journal of Organic Chemistry, 2004, 69, 6572-6589 |
| 4021186 | CIF | C47 H43 F6 N3 P2 Pd | P 1 21 1 | 11.2498; 16.1672; 11.379 90; 92.273; 90 | 2068 | David J. Connolly; Patrick M. Lacey; Mary McCarthy; Cormac P. Saunders; Anne-Marie Carroll; Richard Goddard; Patrick J. Guiry Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration Journal of Organic Chemistry, 2004, 69, 6572-6589 |
| 4021187 | CIF | C78 H104 N6 O13 | C 1 2/c 1 | 18.17; 28.681; 14.745 90; 104; 90 | 7456 | Amanda J. Gallant; Brian O. Patrick; Mark J. MacLachlan Mild and Selective Reduction of Imines: Formation of an Unsymmetrical Macrocycle Journal of Organic Chemistry, 2004, 69, 8739-8744 |
| 4021188 | CIF | C19 H16 N6 S | P 1 21/c 1 | 9.1297; 14.984; 13.598 90; 94.62; 90 | 1854.2 | Christopher R. Moylan; Brian J. McNelis; Lawrence C. Nathan; Michael A. Marques; Eric L. Hermstad; Benjamin A. Brichler Challenging the Auxiliary Donor Effect on Molecular Hyperpolarizability in Thiophene-Containing Nonlinear Chromophores: X-ray Crystallographic and Optical Measurements on Two New Isomeric Chromophores Journal of Organic Chemistry, 2004, 69, 8239-8243 |
| 4021189 | CIF | C20 H17.31 Cl2.69 N6 S | P -1 | 9.471; 10.193; 12.338 69.97; 88.88; 83.964 | 1112.6 | Christopher R. Moylan; Brian J. McNelis; Lawrence C. Nathan; Michael A. Marques; Eric L. Hermstad; Benjamin A. Brichler Challenging the Auxiliary Donor Effect on Molecular Hyperpolarizability in Thiophene-Containing Nonlinear Chromophores: X-ray Crystallographic and Optical Measurements on Two New Isomeric Chromophores Journal of Organic Chemistry, 2004, 69, 8239-8243 |
| 4021190 | CIF | C14 H17 N3 S | P 21 21 21 | 7.5253; 9.0591; 20.415 90; 90; 90 | 1391.8 | Christopher R. Moylan; Brian J. McNelis; Lawrence C. Nathan; Michael A. Marques; Eric L. Hermstad; Benjamin A. Brichler Challenging the Auxiliary Donor Effect on Molecular Hyperpolarizability in Thiophene-Containing Nonlinear Chromophores: X-ray Crystallographic and Optical Measurements on Two New Isomeric Chromophores Journal of Organic Chemistry, 2004, 69, 8239-8243 |
| 4021191 | CIF | C16 H13 F N2 O3 S | P -1 | 8.8462; 13.2625; 13.9418 79.149; 75.73; 81.734 | 1548.71 | Meena V. Patel; Randy Bell; Sandra Majest; Rodger Henry; Teodozyj Kolasa Synthesis of 4,5-Diaryl-1H-pyrazole-3-ol Derivatives as Potential COX-2 Inhibitors Journal of Organic Chemistry, 2004, 69, 7058-7065 |
| 4021192 | CIF | C28 H33 F N2 O5 S | P 1 21/c 1 | 9.839; 10.523; 27.04 90; 90.86; 90.01 | 2799.29 | Meena V. Patel; Randy Bell; Sandra Majest; Rodger Henry; Teodozyj Kolasa Synthesis of 4,5-Diaryl-1H-pyrazole-3-ol Derivatives as Potential COX-2 Inhibitors Journal of Organic Chemistry, 2004, 69, 7058-7065 |
| 4021193 | CIF | C24 H21 F N2 O4 S2 | P -1 | 9.3719; 10.8785; 12.7849 86.311; 82.031; 65.274 | 1172.48 | Meena V. Patel; Randy Bell; Sandra Majest; Rodger Henry; Teodozyj Kolasa Synthesis of 4,5-Diaryl-1H-pyrazole-3-ol Derivatives as Potential COX-2 Inhibitors Journal of Organic Chemistry, 2004, 69, 7058-7065 |
| 4021194 | CIF | C24 H27 F N2 O4 S | P b c a | 10.0094; 13.2628; 35.0466 90.009; 90.011; 89.986 | 4652.5 | Meena V. Patel; Randy Bell; Sandra Majest; Rodger Henry; Teodozyj Kolasa Synthesis of 4,5-Diaryl-1H-pyrazole-3-ol Derivatives as Potential COX-2 Inhibitors Journal of Organic Chemistry, 2004, 69, 7058-7065 |
| 4021195 | CIF | C27 H28 N3 O3.5 | P 1 | 9.1023; 9.7623; 14.385 86.987; 86.25; 69.955 | 1197.62 | Meena V. Patel; Randy Bell; Sandra Majest; Rodger Henry; Teodozyj Kolasa Synthesis of 4,5-Diaryl-1H-pyrazole-3-ol Derivatives as Potential COX-2 Inhibitors Journal of Organic Chemistry, 2004, 69, 7058-7065 |
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