Crystallography Open Database

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4020393 CIFC23 H20 N2 O3 SP 1 21/c 19.6126; 25.343; 8.5716
90; 107.937; 90
1986.7Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang
Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes
Journal of Organic Chemistry, 2005, 70, 6647-6652
4020394 CIFC25 H26 N2 O4 SP 1 21/n 111.7418; 7.5791; 25.423
90; 97.206; 90
2244.6Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang
Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes
Journal of Organic Chemistry, 2005, 70, 6647-6652
4020395 CIFC24 H21 N O4 SP -17.9459; 10.902; 12.047
96.386; 94.215; 95.746
1028.1Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang
Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes
Journal of Organic Chemistry, 2005, 70, 6647-6652
4020396 CIFC22 H25 Cl N2P 1 21/c 110.626; 20.419; 9.0204
90; 108.971; 90
1850.8Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang
Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes
Journal of Organic Chemistry, 2005, 70, 6647-6652
4020397 CIFC20 H14 N2P 1 21/c 112.1159; 11.3755; 10.6198
90; 95.253; 90
1457.5Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang
Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes
Journal of Organic Chemistry, 2005, 70, 6647-6652
4020398 CIFC22 H15 N OP 1 21/c 19.2246; 11.634; 14.77
90; 91.058; 90
1584.8Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang
Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes
Journal of Organic Chemistry, 2005, 70, 6647-6652
4020399 CIFC59 H75 N3 O4 S5P 1 21/a 112.5015; 35.409; 14.2168
90; 110.7; 90
5887.1Bang-Tun Zhao; María-Jesús Blesa; Nicolas Mercier; Franck Le Derf; Marc Sallé
Journal of Organic Chemistry, 2005, 70, 6254-6257
4020400 CIFC117 H149 Cl2 N5 O8 S8P 21 21 2112.9144; 23.419; 38.574
90; 90; 90
11666.4Bang-Tun Zhao; María-Jesús Blesa; Nicolas Mercier; Franck Le Derf; Marc Sallé
Journal of Organic Chemistry, 2005, 70, 6254-6257
4020401 CIFC20 H30 Li2 O4 S2P -18.047; 8.266; 10.044
101.308; 106.61; 113.598
548.8Kevin L. Jantzi; Craig L. Puckett; Ilia A. Guzei; Hans J. Reich
Solution Structure and Chelation Properties of 2-Thienyllithium Reagents
Journal of Organic Chemistry, 2005, 70, 7520-7529
4020402 CIFC12 H12 N2 O4C 1 c 14.354; 22.74; 12.12
90; 105.022; 90
1159Yoshihito Ueno; Takumi Kato; Kumiko Sato; Yasutomo Ito; Mahito Yoshida; Takumi Inoue; Aya Shibata; Masahiro Ebihara; Yukio Kitade
Synthesis and Properties of Nucleic Acid Analogues Consisting of a Benzene-Phosphate Backbone
Journal of Organic Chemistry, 2005, 70, 7925-7935
4020403 CIFC14 H16 O2P n a a8.4023; 16.1062; 17.4221
90; 90; 90
2357.72Jeremy Robertson; Petra M. Stafford; Stephen J. Bell
Silatropic Carbonyl Ene Cyclizations in the Synthesis of Pseudosugars and Hydroxylated Piperidines
Journal of Organic Chemistry, 2005, 70, 7133-7148
4020404 CIFC57 H88 F10 N6 O5P 1 21/n 111.4814; 36.1664; 14.6605
90; 99.361; 90
6006.57Jonathan L. Sessler; Won-Seob Cho; Dustin E. Gross; James A. Shriver; Vincent M. Lynch; Manuel Márquez
Journal of Organic Chemistry, 2005, 70, 5982-5986
4020405 CIFC44 H64 Cl F8 N5P -113.6372; 17.3214; 21.0872
65.928; 85.442; 81.976
4502.01Jonathan L. Sessler; Won-Seob Cho; Dustin E. Gross; James A. Shriver; Vincent M. Lynch; Manuel Márquez
Journal of Organic Chemistry, 2005, 70, 5982-5986
4020406 CIFC27 H22 N6 S2P 1 21/n 17.828; 14.7948; 20.827
90; 96.982; 90
2394.2Alan R. Katritzky; Rachel M. Witek; Valerie Rodríguez García; Prabhu P. Mohapatra; James W. Rogers; Janet Cusido; Ashraf A. A. Abdel-Fattah; Peter J. Steel
Benzotriazole-Assisted Thioacylation
Journal of Organic Chemistry, 2005, 70, 7866-7881
4020407 CIFC25 H18 N6 S2P b c a7.3216; 21.448; 28.651
90; 90; 90
4499.2Alan R. Katritzky; Rachel M. Witek; Valerie Rodríguez García; Prabhu P. Mohapatra; James W. Rogers; Janet Cusido; Ashraf A. A. Abdel-Fattah; Peter J. Steel
Benzotriazole-Assisted Thioacylation
Journal of Organic Chemistry, 2005, 70, 7866-7881
4020408 CIFC16 H16 N6 S2P -19.8636; 10.2583; 10.4084
99.58; 107.887; 115.446
848.7Alan R. Katritzky; Rachel M. Witek; Valerie Rodríguez García; Prabhu P. Mohapatra; James W. Rogers; Janet Cusido; Ashraf A. A. Abdel-Fattah; Peter J. Steel
Benzotriazole-Assisted Thioacylation
Journal of Organic Chemistry, 2005, 70, 7866-7881
4020409 CIFC19 H27 N O9P 21 21 216.8229; 15.473; 18.734
90; 90; 90
1977.8Jhimli Sengupta; Ranjan Mukhopadhyay; Anup Bhattacharjya; Mohan M. Bhadbhade; Gaurav V. Bhosekar
Synthesis and Intramolecular Nitrile Oxide Cycloaddition of 3,5'-Ether-Linked Pseudooligosaccharide Derivatives: An Approach to Chiral Macrooxacycles
Journal of Organic Chemistry, 2005, 70, 8579-8582
4020410 CIFC45 H28 F6 N2 S2P -111.9781; 12.6453; 12.747
91.735; 99.01; 104.966
1837.2Hyunbong Choi; Hyowon Lee; Youngjin Kang; Eunkyoung Kim; Sang Ook Kang; Jaejung Ko
Photochromism and Electrical Transport Characteristics of a Dyad and a Polymer with Diarylethene and Quinoline Units
Journal of Organic Chemistry, 2005, 70, 8291-8297
4020411 CIFC46 H28 F6 N2 O S2P -111.5153; 13.6718; 15.2276
109.756; 105.981; 102.121
2043.8Hyunbong Choi; Hyowon Lee; Youngjin Kang; Eunkyoung Kim; Sang Ook Kang; Jaejung Ko
Photochromism and Electrical Transport Characteristics of a Dyad and a Polymer with Diarylethene and Quinoline Units
Journal of Organic Chemistry, 2005, 70, 8291-8297
4020412 CIFC27 H24 Fe N2P 17.2972; 8.6769; 9.8312
114.432; 111.244; 92.708
513.78Jimmi Gerner Seitzberg; Carsten Dissing; Inger Søtofte; Per-Ola Norrby; Mogens Johannsen
Design and Synthesis of a New Type of Ferrocene-Based Planar Chiral DMAP Analogues. A New Catalyst System for Asymmetric Nucleophilic Catalysis
Journal of Organic Chemistry, 2005, 70, 8332-8337
4020413 CIFC27 H24 Fe N2P 1 21 19.0037; 23.3605; 10.2352
90; 105.384; 90
2075.64Jimmi Gerner Seitzberg; Carsten Dissing; Inger Søtofte; Per-Ola Norrby; Mogens Johannsen
Design and Synthesis of a New Type of Ferrocene-Based Planar Chiral DMAP Analogues. A New Catalyst System for Asymmetric Nucleophilic Catalysis
Journal of Organic Chemistry, 2005, 70, 8332-8337
4020414 CIFC168 H192 N18 O75R -3 :H14.3192; 14.3192; 27.995
90; 90; 120
4971.1Valentyn Rudzevich; Dieter Schollmeyer; Damien Braekers; Jean F. Desreux; Romain Diss; Georges Wipff; Volker Böhmer
Carbamoylmethylphosphinoxide (CMPO) Derivatives Besed on the Triphenylmethyl Skeleton. Synthesis and Extraction Properties
Journal of Organic Chemistry, 2005, 70, 6027-6033
4020415 CIFC28 H25 N3 O9P 1 21/n 112.4354; 12.1584; 17.9173
90; 95.922; 90
2694.54Valentyn Rudzevich; Dieter Schollmeyer; Damien Braekers; Jean F. Desreux; Romain Diss; Georges Wipff; Volker Böhmer
Carbamoylmethylphosphinoxide (CMPO) Derivatives Besed on the Triphenylmethyl Skeleton. Synthesis and Extraction Properties
Journal of Organic Chemistry, 2005, 70, 6027-6033
4020416 CIFC21 H30 N2 O5P 21 21 219.792; 10.144; 22.818
90; 90; 90
2266.5Sukeerthi Kumar; Céline Flamant-Robin; Qian Wang; Angèle Chiaroni; N. André Sasaki
Journal of Organic Chemistry, 2005, 70, 5946-5953
4020417 CIFC22 H28 O15P -18.142; 10.888; 14.672
95.894; 99.268; 102.143
1242.3Faiz Ahmed Khan; Jyotirmayee Dash; Ch. Sudheer; Nilam Sahu; Karuppasamy Parasuraman
Concise Synthesis of Novel Oxa-Bridged Compounds
Journal of Organic Chemistry, 2005, 70, 7565-7577
4020418 CIFC21 H24 Cl2 O12P -18.062; 10.868; 13.771
104.681; 90.614; 102.133
1138.5Faiz Ahmed Khan; Jyotirmayee Dash; Ch. Sudheer; Nilam Sahu; Karuppasamy Parasuraman
Concise Synthesis of Novel Oxa-Bridged Compounds
Journal of Organic Chemistry, 2005, 70, 7565-7577
4020419 CIFC23 H30 O14C 1 2/c 119.741; 9.546; 13.3
90; 96.51; 90
2490.2Faiz Ahmed Khan; Jyotirmayee Dash; Ch. Sudheer; Nilam Sahu; Karuppasamy Parasuraman
Concise Synthesis of Novel Oxa-Bridged Compounds
Journal of Organic Chemistry, 2005, 70, 7565-7577
4020420 CIFC24 H47 N3 O4P 21 21 219.87; 13.506; 21.404
90; 90; 90
2853.2Stephen Hanessian; Hongying Yun; Yihua Hou; Marina Tintelnot-Blomley
Stereoselective Synthesis of Constrained Azacyclic Hydroxyethylene Isosteres as Aspartic Protease Inhibitors: Dipolar Cycloaddition and Related Methodologies toward Branched Pyrrolidine and Pyrrolidinone Carboxylic Acids
Journal of Organic Chemistry, 2005, 70, 6746-6756
4020421 CIFC25 H45 N3 O5C 1 c 123.472; 15.475; 19.37
90; 125.82; 90
5705Stephen Hanessian; Hongying Yun; Yihua Hou; Marina Tintelnot-Blomley
Stereoselective Synthesis of Constrained Azacyclic Hydroxyethylene Isosteres as Aspartic Protease Inhibitors: Dipolar Cycloaddition and Related Methodologies toward Branched Pyrrolidine and Pyrrolidinone Carboxylic Acids
Journal of Organic Chemistry, 2005, 70, 6746-6756
4020422 CIFC72 H96 N12 O18P -110.3139; 16.569; 22.171
83.097; 79.186; 77.884
3625.7Amanda J. Gallant; Joseph K.-H. Hui; Federico E. Zahariev; Yan Alexander Wang; Mark J. MacLachlan
Synthesis, Structure, and Computational Studies of Soluble Conjugated Multidentate Macrocycles
Journal of Organic Chemistry, 2005, 70, 7936-7946
4020423 CIFC18 H19 N O4 SP -17.109; 9.531; 13.161
80.08; 83.7; 85.63
871.5Shengming Ma; Zhenhua Gu; Zhanqian Yu
Journal of Organic Chemistry, 2005, 70, 6291-6294
4020424 CIFC12 H15 N O3P n m a16.8651; 8.9696; 7.6142
90; 90; 90
1151.8Shengming Ma; Zhenhua Gu; Zhanqian Yu
Journal of Organic Chemistry, 2005, 70, 6291-6294
4020425 CIFC31 H38 N2 O5 S2P 1 21 15.9105; 9.4071; 27.0869
90; 94.813; 90
1500.7Donald Craig; Fabienne Grellepois; Andrew J. P. White
Asymmetric Decarboxylative Claisen Rearrangement Reactions of Sulfoximine-Substituted Allylic Tosylacetic Esters
Journal of Organic Chemistry, 2005, 70, 6827-6832
4020426 CIFC32 H47 N O3 S2P 111.7597; 12.5439; 13.2635
108.493; 102.329; 107.814
1658.7Donald Craig; Fabienne Grellepois; Andrew J. P. White
Asymmetric Decarboxylative Claisen Rearrangement Reactions of Sulfoximine-Substituted Allylic Tosylacetic Esters
Journal of Organic Chemistry, 2005, 70, 6827-6832
4020427 CIFC15 H18 N6 O4 S2P b c a8.201; 12.235; 35.164
90; 90; 90
3528.33Regis Leung-Toung; Tim F. Tam; Yanqing Zhao; Craig D. Simpson; Wanren Li; Denis Desilets; Khashayar Karimian
Journal of Organic Chemistry, 2005, 70, 6230-6241
4020428 CIFC24 H31 N O3P 21 21 219.71; 10.824; 21.069
90; 90; 90
2214.4Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley
Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids
Journal of Organic Chemistry, 2005, 70, 6735-6745
4020429 CIFC24 H31 N O3P 17.636; 10.547; 15.442
80.12; 79.42; 68.96
1133.4Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley
Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids
Journal of Organic Chemistry, 2005, 70, 6735-6745
4020430 CIFC27 H29 N O3P 1 21 110.464; 10.343; 10.866
90; 93.45; 90
1173.9Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley
Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids
Journal of Organic Chemistry, 2005, 70, 6735-6745
4020431 CIFC21 H25 N O3P 21 21 27.781; 24.48; 10.034
90; 90; 90
1911.3Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley
Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids
Journal of Organic Chemistry, 2005, 70, 6735-6745
4020432 CIFC27 H29 N O3P 1 21 110.9502; 9.038; 11.4961
90; 91.385; 90
1137.41Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley
Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids
Journal of Organic Chemistry, 2005, 70, 6735-6745
4020433 CIFC30 H45 N O3 SiP 1 21 112.445; 10.28; 12.701
90; 111; 90
1517Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley
Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids
Journal of Organic Chemistry, 2005, 70, 6735-6745
4020434 CIFC34 H53 N O2 S2 SiP 19.98; 10.189; 10.21
96.32; 113.03; 105.45
893.7Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley
Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids
Journal of Organic Chemistry, 2005, 70, 6735-6745
4020435 CIFC18 H25 O8 PP 1 21 15.7176; 10.4131; 17.571
90; 96.229; 90
1040Silvano Cruz-Gregorio; Mario Sánchez; Angel Clara-Sosa; Sylvain Bèrnes; Leticia Quintero; Fernando Sartillo-Piscil
Intramolecular Hydrogen Bonding (P=O–H) Stabilizes the Chair Conformation of Six-Membered Ring Phosphates
Journal of Organic Chemistry, 2005, 70, 7107-7113
4020436 CIFC28 H30 N2 O3P 21 21 2118.3858; 26.1493; 10.2794
90; 90; 90
4942.09Gregory K. Friestad; Cristian Draghici; Mustapha Soukri; Jun Qin
Journal of Organic Chemistry, 2005, 70, 6330-6338
4020437 CIFC18 H18 OP 1 21/c 15.9344; 24.3093; 9.4231
90; 98.668; 90
1343.86Reema K. Thalji; Kateri A. Ahrendt; Robert G. Bergman; Jonathan A. Ellman
Annulation of Aromatic Imines via Directed C-H Bond Activation
Journal of Organic Chemistry, 2005, 70, 6775-6781
4020438 CIFC29 H20 Cl F N2 O2P 1 21/n 116.1589; 8.0433; 18.0403
90; 93.164; 90
2341.14Kamal M. Dawood; Toshio Fuchigami
Electrolytic Partial Fluorination of Organic Compounds. Anodic Fluorination of Spiropyrazoline-5,3'-chroman-4-ones and Thiochromanone Analogues. A Route to Aroyl Fluoride Derivatives
Journal of Organic Chemistry, 2005, 70, 7537-7541
4020439 CIFC31 H20 Cl4 N2 O5I 1 a 112.859; 14.567; 14.729
90; 92.67; 90
2756Stéphanie Leroy-Lhez; Jérôme Baffreau; Lara Perrin; Eric Levillain; Magali Allain; María-Jesús Blesa; Piétrick Hudhomme
Journal of Organic Chemistry, 2005, 70, 6313-6320
4020440 CIFC23 H24 O2 SP 21 21 2114.615; 15.929; 8.391
90; 90; 90
1953.3Chisato Mukai; Fuyuhiko Inagaki; Tatsunori Yoshida; Katsuya Yoshitani; Yasuyuki Hara; Shinji Kitagaki
Rh(I)-Catalyzed Pauson-Khand Reaction and Cycloisomerization of Allenynes: Selective Preparation of Monocyclic, Bicyclo[m.3.0], and Bicyclo[5.2.0] Ring Systems
Journal of Organic Chemistry, 2005, 70, 7159-7171
4020441 CIFC64 H94 Ca O16P 43 21 212.6369; 12.6369; 40.5962
90; 90; 90
6482.9Eun Joo Kang; Eun Jin Cho; Mi Kyung Ji; Young Eun Lee; Dong Mok Shin; Soo Young Choi; Young Keun Chung; Jong-Seo Kim; Hie-Joon Kim; Sueg-Geun Lee; Myoung Soo Lah; Eun Lee
Journal of Organic Chemistry, 2005, 70, 6321-6329
4020442 CIFC66 H99 Cl4 Na O16P 1 21 113.427; 20.167; 13.818
90; 112.033; 90
3468.6Eun Joo Kang; Eun Jin Cho; Mi Kyung Ji; Young Eun Lee; Dong Mok Shin; Soo Young Choi; Young Keun Chung; Jong-Seo Kim; Hie-Joon Kim; Sueg-Geun Lee; Myoung Soo Lah; Eun Lee
Journal of Organic Chemistry, 2005, 70, 6321-6329

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