Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4020693 | CIF | C14 H26 N2 O2 | P 21 21 2 | 14.747; 18.745; 5.702 90; 90; 90 | 1576.2 | Claude Grison; Philippe Coutrot; Stéphane Genève; Claude Didierjean; Michel Marraud Structural Investigation of "cis" and "trans" Vinylogous Peptides: cis-Vinylog Turn in Folded cis-Vinylogous Peptides, an Excellent Mimic of the Natural β-Turn Journal of Organic Chemistry, 2005, 70, 10753-10764 |
| 4020694 | CIF | C21 H36 Cl2 N4 O5.3 | P 1 | 8.635; 8.793; 10.356 82.257; 73.341; 66.915 | 692.76 | Claude Grison; Philippe Coutrot; Stéphane Genève; Claude Didierjean; Michel Marraud Structural Investigation of "cis" and "trans" Vinylogous Peptides: cis-Vinylog Turn in Folded cis-Vinylogous Peptides, an Excellent Mimic of the Natural β-Turn Journal of Organic Chemistry, 2005, 70, 10753-10764 |
| 4020695 | CIF | C30 H16 Cl2 F8 | P 1 | 9.2819; 9.716; 21.2585 83.289; 80.492; 64.244 | 1700.78 | William R. Dolbier, Jr.; Yi-An Zhai; Merle A. Battiste; Khalil A. Abboud; Ion Ghiviriga A Highly Pyramidalized Cage Alkene Formed via the Double Diels-Alder Cycloaddition of syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane to Anthracene Journal of Organic Chemistry, 2005, 70, 10336-10341 |
| 4020696 | CIF | C30 H14 F8 | P 1 21/n 1 | 9.3031; 14.1979; 16.3548 90; 104.872; 90 | 2087.9 | William R. Dolbier, Jr.; Yi-An Zhai; Merle A. Battiste; Khalil A. Abboud; Ion Ghiviriga A Highly Pyramidalized Cage Alkene Formed via the Double Diels-Alder Cycloaddition of syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane to Anthracene Journal of Organic Chemistry, 2005, 70, 10336-10341 |
| 4020697 | CIF | C30 H14 F8 O | P 1 21/n 1 | 9.2818; 14.745; 15.9431 90; 105.49; 90 | 2102.8 | William R. Dolbier, Jr.; Yi-An Zhai; Merle A. Battiste; Khalil A. Abboud; Ion Ghiviriga A Highly Pyramidalized Cage Alkene Formed via the Double Diels-Alder Cycloaddition of syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane to Anthracene Journal of Organic Chemistry, 2005, 70, 10336-10341 |
| 4020698 | CIF | C27 H29 N O5 | P 1 21 1 | 9.921; 27.47; 10.021 90; 118.67; 90 | 2396 | Jean-François Poisson; Arturo Orellana; Andrew E. Greene Stereocontrolled Synthesis of (-)-Kainic Acid from trans-4-Hydroxy-L-proline Journal of Organic Chemistry, 2005, 70, 10860-10863 |
| 4020699 | CIF | C13 H19 N O4 | C 1 2/c 1 | 20.4347; 6.6251; 19.3921 90; 96.979; 90 | 2605.9 | Birte Basler; Oliver Schuster; Thorsten Bach Conformationally Constrained β-Amino Acid Derivatives by Intramolecular [2 + 2]-Photocycloaddition of a Tetronic Acid Amide and Subsequent Lactone Ring Opening Journal of Organic Chemistry, 2005, 70, 9798-9808 |
| 4020700 | CIF | C22.5 H25 Cl N2 O3 | P b c n | 32.3497; 9.9117; 12.2514 90; 90; 90 | 3928.3 | Birte Basler; Oliver Schuster; Thorsten Bach Conformationally Constrained β-Amino Acid Derivatives by Intramolecular [2 + 2]-Photocycloaddition of a Tetronic Acid Amide and Subsequent Lactone Ring Opening Journal of Organic Chemistry, 2005, 70, 9798-9808 |
| 4020701 | CIF | C34 H48 O6 | P 1 21 1 | 14.599; 6.156; 18 90; 106.209; 90 | 1553.5 | Bingfeng 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 |
| 4020702 | CIF | C30 H50 O5 Si | C 1 2 1 | 28.197; 6.3152; 22.247 90; 127.911; 90 | 3125.5 | Bingfeng 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 |
| 4020703 | CIF | C30 H48 O6 | P 1 21 1 | 6.16; 12.062; 19.348 90; 93.85; 90 | 1434.3 | Zihao Hua; David A. Carcache; Yuan Tian; Yue-Ming Li; Samuel J. Danishefsky The Synthesis and Preliminary Biological Evaluation of a Novel Steroid with Neurotrophic Activity: NGA0187 Journal of Organic Chemistry, 2005, 70, 9849-9856 |
| 4020704 | CIF | C28 H23 N4 O P | P 1 21 1 | 8.403; 14.622; 9.752 90; 91.29; 90 | 1198 | Raymond F. Ziessel; Loïc J. Charbonnière; Samir Mameri; Franck Camerel Bridging of Bipyridine Units by Phenylphosphine Links: Linear and Cyclic Oligomers and Some Acid Derivatives Journal of Organic Chemistry, 2005, 70, 9835-9840 |
| 4020705 | CIF | C131 H98 Cl2 N16 O10 P8 | P 1 21 1 | 8.4707; 14.16; 23.7508 90; 97.37; 90 | 2825.3 | Raymond F. Ziessel; Loïc J. Charbonnière; Samir Mameri; Franck Camerel Bridging of Bipyridine Units by Phenylphosphine Links: Linear and Cyclic Oligomers and Some Acid Derivatives Journal of Organic Chemistry, 2005, 70, 9835-9840 |
| 4020706 | CIF | C32 H27 N4 O5 P | P 1 21/m 1 | 8.118; 20.8664; 8.9972 90; 108.976; 90 | 1441.24 | Raymond F. Ziessel; Loïc J. Charbonnière; Samir Mameri; Franck Camerel Bridging of Bipyridine Units by Phenylphosphine Links: Linear and Cyclic Oligomers and Some Acid Derivatives Journal of Organic Chemistry, 2005, 70, 9835-9840 |
| 4020707 | CIF | C15 H20 N2 O2 | P 21 21 21 | 6.855; 10.497; 20.241 90; 90; 90 | 1456.5 | Ramón Badorrey; Carlos Cativiela; María D. Díaz-de-Villegas; Roberto Díez; Fabrizio Galbiati; José A. Gálvez Highly Diastereoselective Cyanation of Methyl Ketimines Obtained from (R)-Glyceraldehyde Journal of Organic Chemistry, 2005, 70, 10102-10105 |
| 4020708 | CIF | C18 H30 N2 O5 | P 21 21 21 | 9.808; 11.955; 17.065 90; 90; 90 | 2001 | Pijus Kumar Mandal; Kumar K. Kaluarachchi; Douglas Ogrin; Simon G. Bott; John S. McMurray An Efficient Synthesis of the Constrained Peptidomimetic 2-Oxo-3-(N-9-fluorenyloxy-carbonylamino)- 1-azabicyclo[4.3.0]nonane-9-carboxylic Acid from Pyroglutamic Acid Journal of Organic Chemistry, 2005, 70, 10128-10131 |
| 4020709 | CIF | C13 H20 Cl K N2 O12 | I 41/a :2 | 18.068; 18.068; 25.243 90; 90; 90 | 8241 | Aneta Bogdanova; Marc W. Perkovic; Vladimir V. Popik Structure and Photochemistry of 18-Diazo-1,4,7,10,13,16-hexaoxacyclononadeca-17,19-dione and Its Sodium and Potassium Complexes. Control of the Ground-State Conformation of 2-Diazo-1,3-dicarbonyl Fragment via Host-Guest Complexation Journal of Organic Chemistry, 2005, 70, 9867-9873 |
| 4020710 | CIF | C14 H23 F6 K N3 O8 P | P 1 21/c 1 | 11.3291; 21.53; 10.342 90; 98.036; 90 | 2497.9 | Aneta Bogdanova; Marc W. Perkovic; Vladimir V. Popik Structure and Photochemistry of 18-Diazo-1,4,7,10,13,16-hexaoxacyclononadeca-17,19-dione and Its Sodium and Potassium Complexes. Control of the Ground-State Conformation of 2-Diazo-1,3-dicarbonyl Fragment via Host-Guest Complexation Journal of Organic Chemistry, 2005, 70, 9867-9873 |
| 4020711 | CIF | C13 H20 Cl N2 Na2 O16 | C 1 c 1 | 16.419; 8.0011; 17.43 90; 91.24; 90 | 2289.3 | Aneta Bogdanova; Marc W. Perkovic; Vladimir V. Popik Structure and Photochemistry of 18-Diazo-1,4,7,10,13,16-hexaoxacyclononadeca-17,19-dione and Its Sodium and Potassium Complexes. Control of the Ground-State Conformation of 2-Diazo-1,3-dicarbonyl Fragment via Host-Guest Complexation Journal of Organic Chemistry, 2005, 70, 9867-9873 |
| 4020712 | CIF | C37 H56 Cu F3 O5 P4 S | P 21 21 21 | 13.0799; 13.5478; 23.1224 90; 90; 90 | 4097.4 | Alexandre Côté; André B. Charette Multicomponent One-Pot Procedure for the Synthesis of Free α-Chiral Amines from Aldehydes Journal of Organic Chemistry, 2005, 70, 10864-10867 |
| 4020713 | CIF | C26 H32 N8 O14 | P 1 21/n 1 | 7.7036; 10.137; 18.605 90; 94.481; 90 | 1448.4 | Jason Lagona; James C. Fettinger; Lyle Isaacs Cucurbit[n]uril Analogues: Synthetic and Mechanistic Studies Journal of Organic Chemistry, 2005, 70, 10381-10392 |
| 4020714 | CIF | C30 H38 N10 O14 | P 1 21/n 1 | 10.1433; 18.4828; 18.5254 90; 93.667; 90 | 3466 | Jason Lagona; James C. Fettinger; Lyle Isaacs Cucurbit[n]uril Analogues: Synthetic and Mechanistic Studies Journal of Organic Chemistry, 2005, 70, 10381-10392 |
| 4020715 | CIF | C36 H66 N16 O45 | P -1 | 11.4566; 12.8691; 21.024 92.876; 98.905; 106.952 | 2914.3 | Jason Lagona; James C. Fettinger; Lyle Isaacs Cucurbit[n]uril Analogues: Synthetic and Mechanistic Studies Journal of Organic Chemistry, 2005, 70, 10381-10392 |
| 4020716 | CIF | C30 H36 N12 O10 | P 1 21/n 1 | 9.6635; 16.6677; 21.0632 90; 94.878; 90 | 3380.33 | Jason Lagona; James C. Fettinger; Lyle Isaacs Cucurbit[n]uril Analogues: Synthetic and Mechanistic Studies Journal of Organic Chemistry, 2005, 70, 10381-10392 |
| 4020717 | CIF | C24 H23 Cl O4 | P 1 21/c 1 | 9.4195; 21.7175; 10.4372 90; 90.8136; 90 | 2134.9 | Srinivasarao Arulananda Babu; Makoto Yasuda; Ikuya Shibata; Akio Baba In- or In(I)-Employed Tailoring of the Stereogenic Centers in the Reformatsky-Type Reactions of Simple Ketones, α-Alkoxy Ketones, and β-Keto Esters Journal of Organic Chemistry, 2005, 70, 10408-10419 |
| 4020718 | CIF | C20 H20 Br Cl O4 | P 1 21/a 1 | 11.847; 8.94; 19.015 90; 93.27; 90 | 2010 | Srinivasarao Arulananda Babu; Makoto Yasuda; Ikuya Shibata; Akio Baba In- or In(I)-Employed Tailoring of the Stereogenic Centers in the Reformatsky-Type Reactions of Simple Ketones, α-Alkoxy Ketones, and β-Keto Esters Journal of Organic Chemistry, 2005, 70, 10408-10419 |
| 4020719 | CIF | C13 H20 O3 | P 1 21 1 | 5.9017; 8.0644; 13.7216 90; 94.785; 90 | 650.79 | Srinivasarao Arulananda Babu; Makoto Yasuda; Ikuya Shibata; Akio Baba In- or In(I)-Employed Tailoring of the Stereogenic Centers in the Reformatsky-Type Reactions of Simple Ketones, α-Alkoxy Ketones, and β-Keto Esters Journal of Organic Chemistry, 2005, 70, 10408-10419 |
| 4020720 | CIF | C70 H68 O14 | P 1 21/c 1 | 12.0726; 22.2121; 12.0726 90; 113.741; 90 | 2963.4 | José C. Iglesias-Sánchez; Beatriz Souto; César J. Pastor; Javier de Mendoza; Pilar Prados Synthesis and Conformational Studies on Hexa-O-alkyl p-Unsubstituted Calix[6]arenes Journal of Organic Chemistry, 2005, 70, 10400-10407 |
| 4020721 | CIF | C83 H92 Cl2 O14 | P 1 21/c 1 | 11.1749; 12.1186; 27.6517 90; 90.607; 90 | 3744.5 | José C. Iglesias-Sánchez; Beatriz Souto; César J. Pastor; Javier de Mendoza; Pilar Prados Synthesis and Conformational Studies on Hexa-O-alkyl p-Unsubstituted Calix[6]arenes Journal of Organic Chemistry, 2005, 70, 10400-10407 |
| 4020722 | CIF | C80 H86 Br2 O14 | P 1 21/c 1 | 11.8114; 21.0977; 15.827 90; 109.64; 90 | 3714.53 | José C. Iglesias-Sánchez; Beatriz Souto; César J. Pastor; Javier de Mendoza; Pilar Prados Synthesis and Conformational Studies on Hexa-O-alkyl p-Unsubstituted Calix[6]arenes Journal of Organic Chemistry, 2005, 70, 10400-10407 |
| 4020723 | CIF | C44 H52 N4 O24 | P 1 | 9.3699; 10.4362; 13.2079 101.103; 94.95; 111.346 | 1163 | Tetsuya Kodama; Marc M. Greenberg Preparation and Analysis of Oligonucleotides Containing Lesions Resulting from C5'-Oxidation Journal of Organic Chemistry, 2005, 70, 9916-9924 |
| 4020724 | CIF | C11 H14 O6 | P 21 21 21 | 5.384; 12.0829; 17.7316 90; 90; 90 | 1153.52 | N. Nieto; P. Molas; J. Benet-Buchholz; A. Vidal-Ferran Practical Synthesis of Shi's Diester Fructose Derivative for Catalytic Asymmetric Epoxidation of Alkenes Journal of Organic Chemistry, 2005, 70, 10143-10146 |
| 4020725 | CIF | C13 H20 O9 | P 21 21 2 | 22.246; 23.698; 5.599 90; 90; 90 | 2952 | N. Nieto; P. Molas; J. Benet-Buchholz; A. Vidal-Ferran Practical Synthesis of Shi's Diester Fructose Derivative for Catalytic Asymmetric Epoxidation of Alkenes Journal of Organic Chemistry, 2005, 70, 10143-10146 |
| 4020726 | CIF | C52 H52 N4 O2 | P 21 21 21 | 8.817; 14.894; 32.741 90; 90; 90 | 4299.6 | Jacek Gawroński; Małgorzata Brzostowska; Marcin Kwit; Agnieszka Plutecka; Urszula Rychlewska Rhombimines-Cyclic Tetraimines of trans-1,2-Diaminocyclohexane Shaped by the Diaryl Ether Structural Motif Journal of Organic Chemistry, 2005, 70, 10147-10150 |
| 4020727 | CIF | C17 H12 F3 N O | P 1 21/a 1 | 30.895; 5.5887; 7.818 90; 93.066; 90 | 1348 | Tsutomu Konno; Jungha Chae; Tomotsugu Miyabe; Takashi Ishihara Regioselective One-Step Synthesis of 4-Fluoroalkylated Isoquinolines via Carbopalladation Reaction of Fluorine-Containing Alkynes Journal of Organic Chemistry, 2005, 70, 10172-10174 |
| 4020728 | CIF | C16 H40 B10 O4 P2 Pt | P -1 | 10.9618; 14.605; 17.6987 82.011; 86.542; 85.712 | 2794.6 | Neeladri Das; Peter J. Stang; Atta M. Arif; Charles F. Campana Synthesis and Structural Characterization of Carborane-Containing Neutral, Self-Assembled Pt-Metallacycles Journal of Organic Chemistry, 2005, 70, 10440-10446 |
| 4020729 | CIF | C84 H156 B20 O8 P8 Pt4 | P -1 | 14.0198; 15.82; 16.3241 90.049; 114.665; 114.321 | 2932.3 | Neeladri Das; Peter J. Stang; Atta M. Arif; Charles F. Campana Synthesis and Structural Characterization of Carborane-Containing Neutral, Self-Assembled Pt-Metallacycles Journal of Organic Chemistry, 2005, 70, 10440-10446 |
| 4020730 | CIF | C90 H168 B20 O10 P8 Pt4 | P 1 21/n 1 | 20.1146; 25.0555; 22.5939 90; 99.0506; 90 | 11245.1 | Neeladri Das; Peter J. Stang; Atta M. Arif; Charles F. Campana Synthesis and Structural Characterization of Carborane-Containing Neutral, Self-Assembled Pt-Metallacycles Journal of Organic Chemistry, 2005, 70, 10440-10446 |
| 4020731 | CIF | C24 H21 N O4 | P -1 | 10.501; 11.277; 9.106 104.1; 93.87; 68.2 | 971 | Hiroyuki Suga; Yasutaka Ebiura; Kazuaki Fukushima; Akikazu Kakehi; Toshihide Baba Efficient Catalytic Effects of Lewis Acids in the 1,3-Dipolar Cycloaddition Reactions of Carbonyl Ylides with Imines Journal of Organic Chemistry, 2005, 70, 10782-10791 |
| 4020732 | CIF | C24 H21 N O4 | P 1 21/a 1 | 8.476; 12.54; 18.38 90; 95.71; 90 | 1943 | Hiroyuki Suga; Yasutaka Ebiura; Kazuaki Fukushima; Akikazu Kakehi; Toshihide Baba Efficient Catalytic Effects of Lewis Acids in the 1,3-Dipolar Cycloaddition Reactions of Carbonyl Ylides with Imines Journal of Organic Chemistry, 2005, 70, 10782-10791 |
| 4020733 | CIF | C16 H17 Br O3 | P 21 21 21 | 5.0172; 11.8925; 24.7383 90; 90; 90 | 1476.06 | Huw M. L. Davies; Simon J. Hedley; Brooks R. Bohall Asymmetric Intermolecular C-H Functionalization of Benzyl Silyl Ethers Mediated by Chiral Auxiliary-Based Aryldiazoacetates and Chiral Dirhodium Catalysts Journal of Organic Chemistry, 2005, 70, 10737-10742 |
| 4020734 | CIF | C22 H21 N O6 S | P 21 21 21 | 10.1562; 10.4485; 19.7286 90; 90; 90 | 2093.5 | Gui-Ling Zhao; Min Shi Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters Journal of Organic Chemistry, 2005, 70, 9975-9984 |
| 4020735 | CIF | C35 H36 N2 O7 S2 | P 1 21/n 1 | 11.5923; 17.0433; 17.9971 90; 108.321; 90 | 3375.5 | Gui-Ling Zhao; Min Shi Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters Journal of Organic Chemistry, 2005, 70, 9975-9984 |
| 4020736 | CIF | C32 H30 N2 O6 S2 | P 1 21/c 1 | 15.3098; 15.6606; 12.3382 90; 91.245; 90 | 2957.5 | Gui-Ling Zhao; Min Shi Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters Journal of Organic Chemistry, 2005, 70, 9975-9984 |
| 4020737 | CIF | C27 H25 N O4 S | P -1 | 7.6675; 13.814; 22.914 92.491; 93.885; 98.992 | 2388.1 | Gui-Ling Zhao; Min Shi Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters Journal of Organic Chemistry, 2005, 70, 9975-9984 |
| 4020738 | CIF | C19 H18 F N O3 S | P 1 21/n 1 | 6.3576; 8.9534; 31.589 90; 91.829; 90 | 1797.2 | Gui-Ling Zhao; Min Shi Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters Journal of Organic Chemistry, 2005, 70, 9975-9984 |
| 4020739 | CIF | C21 H22 N2 O6 S | P 1 21/n 1 | 20.5357; 11.4427; 20.5964 90; 117.564; 90 | 4290.5 | Gui-Ling Zhao; Min Shi Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters Journal of Organic Chemistry, 2005, 70, 9975-9984 |
| 4020740 | CIF | C20 H21 N O4 S | P 1 21/n 1 | 11.0446; 12.4582; 14.1435 90; 91.214; 90 | 1945.6 | Gui-Ling Zhao; Min Shi Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters Journal of Organic Chemistry, 2005, 70, 9975-9984 |
| 4020741 | CIF | C14 H20 N4 O3 | P 1 21/c 1 | 10.157; 10.07; 31.991 90; 103.547; 90 | 3181 | Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force Journal of Organic Chemistry, 2005, 70, 10067-10072 |
| 4020742 | CIF | C24 H32 N8 O6 | C 1 2/c 1 | 22.528; 10.072; 24.147 90; 101.265; 90 | 5373.4 | Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force Journal of Organic Chemistry, 2005, 70, 10067-10072 |
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