Crystallography Open Database
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COD ID ![]() |
Links | Formula ![]() |
Space group ![]() |
Cell parameters | Cell volume ![]() |
Bibliography |
|---|---|---|---|---|---|---|
| 4021397 | CIF | C18 H26 N O2 P S | P 21 21 21 | 6.441; 17.186; 18.27 90; 90; 90 | 2022.4 | Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism Journal of Organic Chemistry, 2006, 71, 606-615 |
| 4021398 | CIF | C19 H28 N O2 P S | P 21 21 21 | 6.276; 13.692; 23.935 90; 90; 90 | 2056.8 | Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism Journal of Organic Chemistry, 2006, 71, 606-615 |
| 4021399 | CIF | C22 H28 N O2 P S | P 21 21 21 | 6.34; 17.728; 18.437 90; 90; 90 | 2072.24 | Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism Journal of Organic Chemistry, 2006, 71, 606-615 |
| 4021400 | CIF | C17 H24 N O3 P S | P 1 21 1 | 12.567; 6.515; 12.509 90; 111.143; 90 | 955.2 | Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism Journal of Organic Chemistry, 2006, 71, 606-615 |
| 4021401 | CIF | C20 H24 N O2 P S | P 21 21 21 | 6.771; 14.155; 20.307 90; 90; 90 | 1946.3 | Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism Journal of Organic Chemistry, 2006, 71, 606-615 |
| 4021402 | CIF | C18 H26 N O2 P S | P 21 21 21 | 7.517; 12.015; 21.89 90; 90; 90 | 1977 | Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism Journal of Organic Chemistry, 2006, 71, 606-615 |
| 4021403 | CIF | C12 H22 N O2 P S | P 21 21 21 | 6.577; 14.56; 16.131 90; 90; 90 | 1544.7 | Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism Journal of Organic Chemistry, 2006, 71, 606-615 |
| 4021404 | CIF | C22 H28 N O4 P S | P 21 21 21 | 6.326; 15.311; 24.416 90; 90; 90 | 2364.9 | Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism Journal of Organic Chemistry, 2006, 71, 606-615 |
| 4021405 | CIF | C18 H26 N O2 P S | P 43 21 2 | 14.149; 14.149; 40.65 90; 90; 90 | 8137.9 | Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism Journal of Organic Chemistry, 2006, 71, 606-615 |
| 4021406 | CIF | C20 H22 N O2 P S | P 1 21 1 | 14.562; 6.387; 21.495 90; 100.58; 90 | 1965.2 | Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism Journal of Organic Chemistry, 2006, 71, 606-615 |
| 4021407 | CIF | C20 H22 N O2 P S | P 1 21 1 | 12.819; 6.417; 14.091 90; 112; 90 | 1074.7 | Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism Journal of Organic Chemistry, 2006, 71, 606-615 |
| 4021408 | CIF | C3 H6 O2 S | P 1 21/n 1 | 12.6406; 4.1678; 19.9399 90; 98.164; 90 | 1039.86 | Mauricio F. Erben; Roland Boese; Carlos O. Della Védova; Heinz Oberhammer; Helge Willner Toward an Intimate Understanding of the Structural Properties and Conformational Preference of Oxoesters and Thioesters: Gas and Crystal Structure and Conformational Analysis of Dimethyl Monothiocarbonate, CH~3~OC(O)SCH~3~ Journal of Organic Chemistry, 2006, 71, 616-622 |
| 4021409 | CIF | C22 H27 Br N2 O5 | P 1 21 1 | 8.006; 11.195; 13.082 90; 100.242; 90 | 1153.82 | Shoko Yamazaki; Yuko Iwata Catalytic Enantioselective Friedel-Crafts/Michael Addition Reactions of Indoles to Ethenetricarboxylates Journal of Organic Chemistry, 2006, 71, 739-743 |
| 4021410 | CIF | C19 H11 F12 O2 P | P -1 | 13.246; 14.373; 22.504 74.127; 82.513; 87.621 | 4086 | Yosuke Uchiyama; Naokazu Kano; Takayuki Kawashima Syntheses, Structures, and Thermolyses of Pentacoordinate 1,2-Oxastibetanes: Potential Intermediates in the Reactions of Stibonium Ylides with Carbonyl Compounds Journal of Organic Chemistry, 2006, 71, 659-670 |
| 4021411 | CIF | C23 H19 F12 O2 Sb | P -1 | 10.691; 12.257; 19.324 102.894; 90.004; 91.278 | 2467.7 | Yosuke Uchiyama; Naokazu Kano; Takayuki Kawashima Syntheses, Structures, and Thermolyses of Pentacoordinate 1,2-Oxastibetanes: Potential Intermediates in the Reactions of Stibonium Ylides with Carbonyl Compounds Journal of Organic Chemistry, 2006, 71, 659-670 |
| 4021412 | CIF | C34 H28 F9 O2 Sb | C 1 2/c 1 | 18.148; 9.7367; 36.418 90; 98.6; 90 | 6362.6 | Yosuke Uchiyama; Naokazu Kano; Takayuki Kawashima Syntheses, Structures, and Thermolyses of Pentacoordinate 1,2-Oxastibetanes: Potential Intermediates in the Reactions of Stibonium Ylides with Carbonyl Compounds Journal of Organic Chemistry, 2006, 71, 659-670 |
| 4021413 | CIF | C14 H12 O2 S | P -1 | 7.215; 11.234; 14.473 84.09; 88.61; 87.87 | 1165.8 | Atul Goel; Deepti Verma; Manish Dixit; Resmi Raghunandan; P. R. Maulik Acetyltrimethylsilane: A Novel Reagent for the Transformation of 2H-Pyran-2-ones to Unsymmetrical Biaryls Journal of Organic Chemistry, 2006, 71, 804-807 |
| 4021414 | CIF | C24 H22 N4 O3 | P 1 21/c 1 | 22.661; 14.466; 13.077 90; 102.33; 90 | 4188 | Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo Chromogenic Oxazines for Cyanide Detection Journal of Organic Chemistry, 2006, 71, 744-753 |
| 4021415 | CIF | C29 H24 N4 O3 | P 1 21/c 1 | 8.7976; 18.011; 15.68 90; 104.74; 90 | 2402.7 | Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo Chromogenic Oxazines for Cyanide Detection Journal of Organic Chemistry, 2006, 71, 744-753 |
| 4021416 | CIF | C40 H62 N4 O6 | P 1 21/n 1 | 9.5783; 25.749; 16.5586 90; 96.163; 90 | 4060.3 | Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo Chromogenic Oxazines for Cyanide Detection Journal of Organic Chemistry, 2006, 71, 744-753 |
| 4021417 | CIF | C32 H27 N O3 S2 | P -1 | 7.7629; 8.5948; 21.728 81.54; 85.9; 73.88 | 1376.8 | Lei Jiao; Qianfeng Zhang; Yong Liang; Shiwei Zhang; Jiaxi Xu A Versatile Method for the Synthesis of 3-Alkoxycarbonyl β-Lactam Derivatives Journal of Organic Chemistry, 2006, 71, 815-818 |
| 4021418 | CIF | C21 H20 Cr O7 S4 | P 1 21/n 1 | 11.3847; 12.0263; 19.227 90; 97.452; 90 | 2610.2 | Alejandro M. Granados; Jeronimo Kreiker; Rita H. de Rossi; Pedro Fuertes; Tomás Torroba Synthesis of 1,3-Dithiin Dithioortho Esters from the Reaction of Fischer Carbenes and 3H-1,2-Dithiole-3-thiones Journal of Organic Chemistry, 2006, 71, 808-810 |
| 4021419 | CIF | C16 H13 N O2 S5 | P -1 | 10.1366; 13.4877; 13.652 104.656; 90.456; 102.913 | 1756 | Alejandro M. Granados; Jeronimo Kreiker; Rita H. de Rossi; Pedro Fuertes; Tomás Torroba Synthesis of 1,3-Dithiin Dithioortho Esters from the Reaction of Fischer Carbenes and 3H-1,2-Dithiole-3-thiones Journal of Organic Chemistry, 2006, 71, 808-810 |
| 4021420 | CIF | C48 H36 N4 O2 | P -1 | 10.4497; 12.7182; 15.18 66.129; 84.317; 74.029 | 1773.4 | Wenchao Qu; Tang Ding; Anil Cetin; John D. Harvey; Michael J. Taschner; Christopher J. Ziegler Facile Peripheral Modification of N-Confused Porphyrin Journal of Organic Chemistry, 2006, 71, 811-814 |
| 4021421 | CIF | C60 H55 Co N5 O2 | P -1 | 13.029; 13.734; 13.913 77.699; 79.722; 67.39 | 2232.5 | Wenchao Qu; Tang Ding; Anil Cetin; John D. Harvey; Michael J. Taschner; Christopher J. Ziegler Facile Peripheral Modification of N-Confused Porphyrin Journal of Organic Chemistry, 2006, 71, 811-814 |
| 4021422 | CIF | C32.7 H38.05 N5.35 O6 | P -1 | 12.825; 13.091; 20.892 106.189; 102.618; 93.606 | 3258.3 | Marc Sauer; Charles Yeung; Jonathan H. Chong; Brian O. Patrick; Mark J. MacLachlan N-Salicylideneanilines: Tautomers for Formation of Hydrogen-Bonded Capsules, Clefts, and Chains Journal of Organic Chemistry, 2006, 71, 775-788 |
| 4021423 | CIF | C39 H38 Cl3 N4 O6 | P -1 | 9.055; 12.712; 16.439 84.358; 85.019; 89.982 | 1875.9 | Marc Sauer; Charles Yeung; Jonathan H. Chong; Brian O. Patrick; Mark J. MacLachlan N-Salicylideneanilines: Tautomers for Formation of Hydrogen-Bonded Capsules, Clefts, and Chains Journal of Organic Chemistry, 2006, 71, 775-788 |
| 4021424 | CIF | C20 H19 N3 O6 | P 1 21 1 | 6.1725; 8.6279; 18.2294 90; 95.813; 90 | 965.83 | Shun-Yuan Luo; Suvarn S. Kulkarni; Chien-Hung Chou; Wei-Meen Liao; Shang-Cheng Hung A Concise Synthesis of Tetrahydroxy-LCB, α-Galactosyl Ceramide, and 1,4-Dideoxy-1,4-imino-L-ribitol via D-Allosamines as Key Building Blocks Journal of Organic Chemistry, 2006, 71, 1226-1229 |
| 4021425 | CIF | C25 H38 O2 Si | P -1 | 6.5285; 10.708; 16.894 101.409; 100.481; 94.819 | 1129.5 | Howard E. Zimmerman; Jie Cheng Control of Stereoselective Protonation of Enols Journal of Organic Chemistry, 2006, 71, 873-882 |
| 4021426 | CIF | C35 H38 N2 O4 S2 Sn | P 1 21 1 | 8.5613; 15.6149; 12.0541 90; 92.2023; 90 | 1610.25 | Patchanita Thamyongkit; Anil D. Bhise; Masahiko Taniguchi; Jonathan S. Lindsey Alkylthio Unit as an α-Pyrrole Protecting Group for Use in Dipyrromethane Synthesis Journal of Organic Chemistry, 2006, 71, 903-910 |
| 4021427 | CIF | C43 H53 O6 | P n n 2 | 18.6014; 19.2511; 10.3718 90; 90; 90 | 3714.1 | Man Shing Wong; Ping Fang Xia; Pik Kwan Lo; Xiao Hua Sun; Wai Yeung Wong; Shaomin Shuang Synthesis of Oligophenylene-Substituted Calix[4]crown-4s and Their Silver(I) Ion-Induced Nanocones Formation Journal of Organic Chemistry, 2006, 71, 940-946 |
| 4021428 | CIF | C79 H63 Ag7 Cl3 F21 O20 | P -1 | 12.5115; 14.6376; 24.26 89.413; 80.832; 87.561 | 4382.1 | Man Shing Wong; Ping Fang Xia; Pik Kwan Lo; Xiao Hua Sun; Wai Yeung Wong; Shaomin Shuang Synthesis of Oligophenylene-Substituted Calix[4]crown-4s and Their Silver(I) Ion-Induced Nanocones Formation Journal of Organic Chemistry, 2006, 71, 940-946 |
| 4021429 | CIF | C92 H92 Ag6 F18 O24 | P 1 21/n 1 | 19.45; 25.18; 20.114 90; 100.102; 90 | 9698 | Man Shing Wong; Ping Fang Xia; Pik Kwan Lo; Xiao Hua Sun; Wai Yeung Wong; Shaomin Shuang Synthesis of Oligophenylene-Substituted Calix[4]crown-4s and Their Silver(I) Ion-Induced Nanocones Formation Journal of Organic Chemistry, 2006, 71, 940-946 |
| 4021430 | CIF | C36 H50 N2 O8 | P -1 | 8.268; 22.444; 9.7559 89.994; 99.071; 90.032 | 1787.7 | Tsutomu Inokuchi; Hiroyuki Kawafuchi E- or Z-Selective Knoevenagel Condensation of Acetoacetic Derivatives: Effect of Acylated Substituent, that is, TEMPO and Amines, as an Auxiliary, and New Accesses to Trisubstituted E- and Z-2-Alkenals and Furans Journal of Organic Chemistry, 2006, 71, 947-953 |
| 4021431 | CIF | C105 H67 Cl15 N12 O13 | P 1 21/c 1 | 25.122; 12.103; 33.724 90; 102.191; 90 | 10023 | Erhong Hao; Frank R. Fronczek; M. Graça H. Vicente Synthesis of Oxacalixarene-Locked Bisporphyrins and Higher Oligomers Journal of Organic Chemistry, 2006, 71, 1233-1236 |
| 4021432 | CIF | C70 H121 Cl12 N13 O14 P4 | P -1 | 13.334; 16.27; 26.055 99.242; 99.572; 99.647 | 5391 | K. C. Kumara Swamy; K. Praveen Kumar; N. N. Bhuvan Kumar Further Characterization of Mitsunobu-Type Intermediates in the Reaction of Dialkyl Azodicarboxylates with P(III) Compounds Journal of Organic Chemistry, 2006, 71, 1002-1008 |
| 4021433 | CIF | C22 H48 N6 O4 P2 | P 1 21/c 1 | 13.6582; 10.5579; 20.5262 90; 93.168; 90 | 2955.4 | K. C. Kumara Swamy; K. Praveen Kumar; N. N. Bhuvan Kumar Further Characterization of Mitsunobu-Type Intermediates in the Reaction of Dialkyl Azodicarboxylates with P(III) Compounds Journal of Organic Chemistry, 2006, 71, 1002-1008 |
| 4021434 | CIF | C22 H45 Cl F3 N5 O5 P2 | P 1 21/c 1 | 18.2506; 9.7929; 18.982 90; 109.54; 90 | 3197.2 | K. C. Kumara Swamy; K. Praveen Kumar; N. N. Bhuvan Kumar Further Characterization of Mitsunobu-Type Intermediates in the Reaction of Dialkyl Azodicarboxylates with P(III) Compounds Journal of Organic Chemistry, 2006, 71, 1002-1008 |
| 4021435 | CIF | C32 H50 Cl5 N5 O6 P2 | P 21 21 21 | 9.636; 16.662; 26.283 90; 90; 90 | 4220 | K. C. Kumara Swamy; K. Praveen Kumar; N. N. Bhuvan Kumar Further Characterization of Mitsunobu-Type Intermediates in the Reaction of Dialkyl Azodicarboxylates with P(III) Compounds Journal of Organic Chemistry, 2006, 71, 1002-1008 |
| 4021436 | CIF | C31 H58 N6 O6 P2 | P -1 | 15.035; 15.151; 19.568 107.692; 107.43; 94.971 | 3973.6 | K. C. Kumara Swamy; K. Praveen Kumar; N. N. Bhuvan Kumar Further Characterization of Mitsunobu-Type Intermediates in the Reaction of Dialkyl Azodicarboxylates with P(III) Compounds Journal of Organic Chemistry, 2006, 71, 1002-1008 |
| 4021437 | CIF | C16 H12 Br N O3 | P 1 21/n 1 | 6.985; 23; 9.252 90; 108.404; 90 | 1411 | Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines Journal of Organic Chemistry, 2006, 71, 1009-1014 |
| 4021438 | CIF | C15 H9 Br N2 O | P -1 | 6.1683; 8.3056; 12.5311 88.535; 78.534; 87.202 | 628.34 | Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines Journal of Organic Chemistry, 2006, 71, 1009-1014 |
| 4021439 | CIF | C26 H19 Br Cl3 N3 O4 | C 1 c 1 | 9.1772; 39.584; 7.1107 90; 92.663; 90 | 2580.3 | Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines Journal of Organic Chemistry, 2006, 71, 1009-1014 |
| 4021440 | CIF | C23 H18 Br N3 | P 1 21/c 1 | 15.625; 11.062; 10.915 90; 96.137; 90 | 1876 | Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines Journal of Organic Chemistry, 2006, 71, 1009-1014 |
| 4021441 | CIF | C23 H16 Br N3 O2 | P c a 21 | 17.428; 5.5538; 19.492 90; 90; 90 | 1886.6 | Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines Journal of Organic Chemistry, 2006, 71, 1009-1014 |
| 4021442 | CIF | C22 H16 Br N3 | P 1 21/c 1 | 15.4467; 11.1272; 10.5033 90; 94.085; 90 | 1800.7 | Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines Journal of Organic Chemistry, 2006, 71, 1009-1014 |
| 4021443 | CIF | C24 H16 | P n a 21 | 18.873; 12.336; 6.7665 90; 90; 90 | 1575.4 | Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State Journal of Organic Chemistry, 2006, 71, 1055-1059 |
| 4021444 | CIF | C24 H16 | P 1 21/c 1 | 10.822; 15.188; 10.316 90; 110.95; 90 | 1583.6 | Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State Journal of Organic Chemistry, 2006, 71, 1055-1059 |
| 4021445 | CIF | C25 H15 N | P b c a | 8.09; 15.095; 26.844 90; 90; 90 | 3278.2 | Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State Journal of Organic Chemistry, 2006, 71, 1055-1059 |
| 4021446 | CIF | C24 H15 N O2 | P n a 21 | 20.673; 10.939; 7.5738 90; 90; 90 | 1712.8 | Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State Journal of Organic Chemistry, 2006, 71, 1055-1059 |
| 4021447 | CIF | C22 H16 | P -1 | 9.594; 18.68; 19.237 117.294; 100.954; 93.956 | 2959.2 | Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State Journal of Organic Chemistry, 2006, 71, 1055-1059 |
| 4021448 | CIF | C13 H17 N O2 S | P 32 | 11.079; 11.079; 9.666 90; 90; 120 | 1027.5 | Anna Arefalk; Johan Wannberg; Mats Larhed; Anders Hallberg Stereoselective Synthesis of 3-Aminoindan-1-ones and Subsequent Incorporation into HIV-1 Protease Inhibitors Journal of Organic Chemistry, 2006, 71, 1265-1268 |
| 4021449 | CIF | C13 H17 N O2 S | P 31 | 11.08; 11.08; 9.6707 90; 90; 120 | 1028.2 | Anna Arefalk; Johan Wannberg; Mats Larhed; Anders Hallberg Stereoselective Synthesis of 3-Aminoindan-1-ones and Subsequent Incorporation into HIV-1 Protease Inhibitors Journal of Organic Chemistry, 2006, 71, 1265-1268 |
| 4021450 | CIF | C62 H127 N2 O53.5 | P 1 21 1 | 10.601; 26.402; 15.586 90; 93.145; 90 | 4356 | Zhi Fan; Chun-Hua Diao; Hai-Bin Song; Zuo-Liang Jing; Ming Yu; Xin Chen; Min-Jie Guo Encapsulation of Quinine by β-Cyclodextrin: Excellent Model for Mimicking Enzyme-Substrate Interactions Journal of Organic Chemistry, 2006, 71, 1244-1246 |
| 4021451 | CIF | C21 H13 Cl2 N3 O4 | P 1 21/c 1 | 15.6855; 8.4155; 14.3404 90; 93.234; 90 | 1889.9 | Lei Zhao; Fushun Liang; Xihe Bi; Shaoguang Sun; Qun Liu Efficient Synthesis of Highly Functionalized Dihydropyrido[2,3-d]pyrimidines by a Double Annulation Strategy from α-Alkenoyl-α-carbamoyl Ketene-(S,S)-acetals Journal of Organic Chemistry, 2006, 71, 1094-1098 |
| 4021452 | CIF | C64.5 H72 N8 O10.5 | P -1 | 14.02; 15.153; 16.128 110.655; 92.14; 104.819 | 3068.5 | Zhi-Qiang Hu; Hai-Yu Hu; Chuan-Feng Chen Phenanthroline Dicarboxamide-Based Helical Foldamers: Stable Helical Structures in Methanol Journal of Organic Chemistry, 2006, 71, 1131-1138 |
| 4021453 | CIF | C118 H118 N16 O20 | P -1 | 15.446; 18.167; 21.565 81.08; 82.77; 82.46 | 5892 | Zhi-Qiang Hu; Hai-Yu Hu; Chuan-Feng Chen Phenanthroline Dicarboxamide-Based Helical Foldamers: Stable Helical Structures in Methanol Journal of Organic Chemistry, 2006, 71, 1131-1138 |
| 4021454 | CIF | C154 H178 N20 O28 | P 1 2/n 1 | 19.598; 15.696; 24.508 90; 100.17; 90 | 7421 | Zhi-Qiang Hu; Hai-Yu Hu; Chuan-Feng Chen Phenanthroline Dicarboxamide-Based Helical Foldamers: Stable Helical Structures in Methanol Journal of Organic Chemistry, 2006, 71, 1131-1138 |
| 4021455 | CIF | C63 H68 N9 O9.25 | P -1 | 14.224; 15.299; 17.295 97.973; 104.545; 117.658 | 3080.1 | Zhi-Qiang Hu; Hai-Yu Hu; Chuan-Feng Chen Phenanthroline Dicarboxamide-Based Helical Foldamers: Stable Helical Structures in Methanol Journal of Organic Chemistry, 2006, 71, 1131-1138 |
| 4021456 | CIF | C13 H14 O4 | P -1 | 7.2; 8.009; 11.122 88.642; 100.505; 105.62 | 607.09 | Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid Journal of Organic Chemistry, 2006, 71, 1139-1151 |
| 4021457 | CIF | C13 H14 O4 | P -1 | 7.686; 7.823; 12.384 108.9; 89.388; 108.722 | 663.6 | Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid Journal of Organic Chemistry, 2006, 71, 1139-1151 |
| 4021458 | CIF | C13 H18 O4 | P 1 21/c 1 | 8.931; 14.491; 12.03 90; 128.818; 90 | 1213.1 | Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid Journal of Organic Chemistry, 2006, 71, 1139-1151 |
| 4021459 | CIF | C13 H13 I O3 | P 1 21/c 1 | 8.085; 7.474; 21.798 90; 91.113; 90 | 1316.95 | Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid Journal of Organic Chemistry, 2006, 71, 1139-1151 |
| 4021460 | CIF | C13 H19 I O3 | P 1 21/n 1 | 8.422; 12.714; 13.419 90; 100.566; 90 | 1412.5 | Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid Journal of Organic Chemistry, 2006, 71, 1139-1151 |
| 4021461 | CIF | C20 H25 Cl O6 | P -1 | 7.639; 8.035; 16.499 89.13; 89.221; 80.184 | 997.7 | Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid Journal of Organic Chemistry, 2006, 71, 1139-1151 |
| 4021462 | CIF | C15 H24 O6 | P -1 | 8.495; 9.715; 9.99 81.011; 76.269; 80.257 | 783.53 | Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid Journal of Organic Chemistry, 2006, 71, 1139-1151 |
| 4021463 | CIF | C12 H20 O5 | P 1 21/c 1 | 9.408; 10.167; 13.393 90; 106.535; 90 | 1228.08 | Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid Journal of Organic Chemistry, 2006, 71, 1139-1151 |
| 4021464 | CIF | C20 H30 O5 | P 21 21 21 | 7.0506; 11.0911; 25.228 90; 90; 90 | 1972.8 | Gary A. Molander; Barbara Czakó; David J. St. Jean, Jr. A General Route toward the Synthesis of the Cladiellin Skeleton Utilizing a SmI~2~-Mediated Cyclization Journal of Organic Chemistry, 2006, 71, 1172-1180 |
| 4021465 | CIF | C3 H7 N5 | P b c a | 9.9999; 7.6682; 14.1917 90; 90; 90 | 1088.24 | 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 |
| 4021466 | CIF | C3 H4 N6 O | P 1 21/c 1 | 6.0853; 8.1184; 11.6028 90; 99.6469; 90 | 565.11 | 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 |
| 4021467 | CIF | C3 H6 N6 O2 | P b c a | 5.9553; 13.2837; 17.4438 90; 90; 90 | 1379.95 | 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 |
| 4021468 | CIF | C7 H14 N6 O2 | P 1 21/n 1 | 8.6094; 12.5135; 10.5791 90; 106.896; 90 | 1090.53 | 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 |
| 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 |
| 4021470 | CIF | C3 H6 N6 O | P 1 21/c 1 | 14.045; 5.7882; 8.231 90; 102.285; 90 | 653.8 | 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 |
| 4021471 | CIF | C3 H4 N6 O2 | P 1 21/c 1 | 6.2083; 8.6833; 11.651 90; 102.308; 90 | 613.65 | 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 |
| 4021472 | CIF | C10 H18 N2 O5 S | P 21 21 21 | 9.408; 10.125; 14.0952 90; 90; 90 | 1342.65 | Alberto Avenoza; Jesús H. Busto; Gonzalo Jiménez-Osés; Jesús M. Peregrina S~N~2 Reaction of Sulfur Nucleophiles with Hindered Sulfamidates: Enantioselective Synthesis of α-Methylisocysteine Journal of Organic Chemistry, 2006, 71, 1692-1695 |
| 4021473 | CIF | C27 H30 N2 O5 S2 | P 1 21 1 | 15.104; 6.16; 16.064 90; 117.063; 90 | 1330.96 | Alberto Avenoza; Jesús H. Busto; Gonzalo Jiménez-Osés; Jesús M. Peregrina S~N~2 Reaction of Sulfur Nucleophiles with Hindered Sulfamidates: Enantioselective Synthesis of α-Methylisocysteine Journal of Organic Chemistry, 2006, 71, 1692-1695 |
| 4021474 | CIF | C13 H21 Br S3 | P 1 21/n 1 | 9.5204; 10.3261; 15.3043 90; 101.783; 90 | 1472.84 | Toshikazu Kitagawa; Yuichi Idomoto; Hiroaki Matsubara; Daisuke Hobara; Takashi Kakiuchi; Takao Okazaki; Koichi Komatsu Rigid Molecular Tripod with an Adamantane Framework and Thiol Legs. Synthesis and Observation of an Ordered Monolayer on Au(111) Journal of Organic Chemistry, 2006, 71, 1362-1369 |
| 4021475 | CIF | C27 H37 N7 O2 S2 | P 1 21/c 1 | 9.6218; 28.36; 11.5099 90; 107.566; 90 | 2994.3 | Martin Walther; Kurt Wermann; Marion Lutsche; Wolfgang Günther; Helmar Görls; Ernst Anders Synthesis of Azolyl Carboximidamides as Ligands for Zn(II) and Cu(II): Application of the Zn(II) Complexes as Catalysts for the Copolymerization of Carbon Dioxide and Epoxides Journal of Organic Chemistry, 2006, 71, 1399-1406 |
| 4021476 | CIF | C34 H48 Cu N8 O5 S2 | P n a 21 | 12.837; 22.303; 13.85 90; 90; 90 | 3965.3 | Martin Walther; Kurt Wermann; Marion Lutsche; Wolfgang Günther; Helmar Görls; Ernst Anders Synthesis of Azolyl Carboximidamides as Ligands for Zn(II) and Cu(II): Application of the Zn(II) Complexes as Catalysts for the Copolymerization of Carbon Dioxide and Epoxides Journal of Organic Chemistry, 2006, 71, 1399-1406 |
| 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 |
| 4021478 | CIF | C12 H21 N O | P -1 | 7.489; 13.794; 6.046 92.8; 104.72; 87.6 | 603 | 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 |
| 4021479 | CIF | C15 H19 N O | P b c a | 15.645; 15.428; 11.384 90; 90; 90 | 2747 | 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 |
| 4021480 | CIF | C12 H19 N O | P -1 | 7.605; 13.704; 6.018 95.95; 105.14; 83.64 | 599.8 | 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 |
| 4021481 | CIF | C16 H21 N O | P b c a | 16.852; 18.09; 9.068 90; 90; 90 | 2764 | 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 |
| 4021482 | CIF | C21 H23 N O | P 21 21 21 | 15.422; 16.648; 6.804 90; 90; 90 | 1747 | 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 |
| 4021483 | CIF | C16 H20 N2 O2 | P 1 21/c 1 | 16.3285; 13.5208; 13.9382 90; 99.738; 90 | 3032.86 | 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 |
| 4021484 | CIF | C15 H25 N O2 | P -1 | 10.085; 18.828; 7.563 98.64; 103.16; 87.8 | 1382.5 | 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 |
| 4021485 | CIF | C12 H21 N O2 | C 1 c 1 | 6.917; 20.548; 8.673 90; 104.45; 90 | 1193.6 | 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 |
| 4021486 | CIF | C13 H21 N O2 | P 1 21/n 1 | 21.761; 7.581; 7.508 90; 98.84; 90 | 1223.9 | 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 |
| 4021487 | CIF | C23 H23 N O3 | P b c a | 19.047; 16.454; 12.525 90; 90; 90 | 3925 | 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 |
| 4021488 | CIF | C13 H19 N O5 | P -1 | 7.647; 12.894; 7.616 93.83; 96.96; 105.74 | 713.6 | 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 |
| 4021489 | CIF | C13 H21 N O | P 1 21/n 1 | 6.0211; 29.3871; 7.4673 90; 104.203; 90 | 1280.9 | 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 |
| 4021490 | CIF | C13 H21 N O | P -1 | 7.5391; 14.678; 6.046 90.52; 105.22; 91.55 | 645.2 | 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 |
| 4021491 | CIF | C13 H23 I O | P 21 21 21 | 13.932; 16.279; 18.937 90; 90; 90 | 4295 | R. Brandon Miles; Chad E. Davis; Robert M. Coates Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids Journal of Organic Chemistry, 2006, 71, 1493-1501 |
| 4021492 | CIF | C13 H23 Br O | P 21 21 21 | 13.658; 16.12; 18.84 90; 90; 90 | 4148 | R. Brandon Miles; Chad E. Davis; Robert M. Coates Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids Journal of Organic Chemistry, 2006, 71, 1493-1501 |
| 4021493 | CIF | C9 H17 Br O | I -4 | 16.422; 16.422; 7.6968 90; 90; 90 | 2075.69 | R. Brandon Miles; Chad E. Davis; Robert M. Coates Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids Journal of Organic Chemistry, 2006, 71, 1493-1501 |
| 4021494 | CIF | C10 H19 Cl O | I -4 | 16.4301; 16.4301; 8.272 90; 90; 90 | 2233.01 | R. Brandon Miles; Chad E. Davis; Robert M. Coates Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids Journal of Organic Chemistry, 2006, 71, 1493-1501 |
| 4021495 | CIF | C13 H23 Br O | P 1 21 1 | 6.624; 8.063; 12.29 90; 96.189; 90 | 652.6 | R. Brandon Miles; Chad E. Davis; Robert M. Coates Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids Journal of Organic Chemistry, 2006, 71, 1493-1501 |
| 4021496 | CIF | C13 H23 Cl O | P 1 21 1 | 6.516; 8.084; 12.148 90; 94.748; 90 | 637.7 | R. Brandon Miles; Chad E. Davis; Robert M. Coates Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids Journal of Organic Chemistry, 2006, 71, 1493-1501 |
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