Crystallography Open Database

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4004054 CIFC45 H46 Co6 O34P 21 21 222.57; 28.68; 10.94
90; 90; 90
7082Qazvini, Omid T.; Scott, Victoria-Jayne; Bondorf, Linda; Ducamp, Maxime; Hirscher, Michael; Coudert, François-Xavier; Telfer, Shane G.
Flexibility of a Metal–Organic Framework Enhances Gas Separation and Enables Quantum Sieving
Chemistry of Materials, 2021, 33, 8886-8894
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
4020499 CIFC23 H23 N O4P 21 21 213.18; 16.3; 8.618
90; 90; 90
1852Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Bernabé Casado
Chiral Template Mediated Diastereoselective Intramolecular Diels-Alder Reaction Using Furan as a Diene. Toward the Synthesis of Enantiopure Trisubstituted Tetrahydroepoxyisoindolones
Journal of Organic Chemistry, 2005, 70, 7273-7278
4020578 CIFC44 H44 O5P 21 21 225.418; 6.2412; 12.466
90; 90; 90
1977.6Jarugu Narasimha Moorthy; Ramalingam Natarajan; Paloth Venugopalan
Three-Dimensional Four-Connecting Organic Scaffolds with a Twist: Synthesis and Self-Assembly
Journal of Organic Chemistry, 2005, 70, 8568-8571
4020693 CIFC14 H26 N2 O2P 21 21 214.747; 18.745; 5.702
90; 90; 90
1576.2Claude 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
4020725 CIFC13 H20 O9P 21 21 222.246; 23.698; 5.599
90; 90; 90
2952N. 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
4020861 CIFC74 H119 N20 O21 S5P 21 21 225.711; 37.26; 10.0841
90; 90; 90
9660.5Dominic Laliberté; Thierry Maris; James D. Wuest
Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of Pentaerythrityl Tetraphenyl Ether
Journal of Organic Chemistry, 2004, 69, 1776-1787
4021126 CIFC18 H27 N3 O10P 21 21 220.4218; 12.1169; 8.5406
90; 90; 90
2113.36Jinhua 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
4021223 CIFC24 H29 N O3P 21 21 212.12; 18.035; 9.63
90; 90; 90
2105Katsunori Tanaka; Toyoharu Kobayashi; Hajime Mori; Shigeo Katsumura
Development of Highly Stereoselective Asymmetric 6π-Azaelectrocyclization of Conformationally Flexible Linear 1-Azatrienes. From Determination of Multifunctional Chiral Amines, 7-Alkyl cis-1-Amino-2-indanols, to Application as a New Synthetic Strategy: Formal Synthesis of 20-Epiuleine
Journal of Organic Chemistry, 2004, 69, 5906-5925
4021351 CIFC25 H37 N O5 SP 21 21 218.3556; 11.4102; 11.9476
90; 90; 90
2502.3Gullapalli Kumaraswamy; Mogilisetti Padmaja; Bekkam Markondaiah; Nivedita Jena; Balasubramanian Sridhar; Marelli Udaya Kiran
Oppolzer Sultam Directed Aldol as a Key Step for the Stereoselective Syntheses of Antitumor Antibiotic Belactosin C and Its Synthetic Congeners
Journal of Organic Chemistry, 2006, 71, 337-340
4021661 CIFC20 H28 N2 O8P 21 21 29.2088; 35.387; 6.2519
90; 90; 90
2037.3Pothiappan Vairaprakash; Mariappan Periasamy
A Simple Method of Synthesis of (±)-2,3-Diarylpiperazines and a Novel Method of Resolution of (±)-2,3-Diphenylpiperazine
Journal of Organic Chemistry, 2006, 71, 3636-3638
4021925 CIFC35 H47 N5 O6P 21 21 219.6992; 29.454; 6.1556
90; 90; 90
3571.6Anna S. Norgren; Frank Büttner; Samran Prabpai; Palangpon Kongsaeree; Per I. Arvidsson
β^2^-Amino Acids in the Design of Conformationally Homogeneous cyclo-Peptide Scaffolds
Journal of Organic Chemistry, 2006, 71, 6814-6821
4022044 CIFC12 H21 N O5P 21 21 219.017; 7.7976; 8.8937
90; 90; 90
1318.8Ganesh Pandey; Shrinivas G. Dumbre; M. Islam Khan; M. Shabab
Convergent Approach toward the Synthesis of the Stereoisomers of C-6 Homologues of 1-Deoxynojirimycin and Their Analogues: Evaluation as Specific Glycosidase Inhibitors
Journal of Organic Chemistry, 2006, 71, 8481-8488
4022478 CIFC9 H11 F2 N3 O4P 21 21 27.9175; 19.677; 6.93
90; 90; 90
1079.67Xingang Zhang; Hairong Xia; XiCheng Dong; Jing Jin; Wei-Dong Meng; Feng-Ling Qing
3-Deoxy-3,3-difluoro-D-arabinofuranose: First Stereoselective Synthesis and Application in Preparation of gem-Difluorinated Sugar Nucleosides
Journal of Organic Chemistry, 2003, 68, 9026-9033
4022985 CIFC37 H36 N3 O5P 21 21 232.158; 8.977; 11.478
90; 90; 90
3313.7Drew R. Bobeck; Don L. Warner; Edwin Vedejs
Internal Azomethine Ylide Cycloaddition Methodology for Access to the Substitution Pattern of Aziridinomitosene A
Journal of Organic Chemistry, 2007, 72, 8506-8518
4023172 CIFC26 H29 N3 OP 21 21 227.759; 7.6628; 10.4877
90; 90; 90
2230.9Akemi Ryoda; Nana Yajima; Toyokazu Haga; Takuya Kumamoto; Waka Nakanishi; Masatoshi Kawahata; Kentaro Yamaguchi; Tsutomu Ishikawa
Optical Resolution of (\±)-1,2-Bis(2-methylphenyl)ethylene-1,2-diamine as a Chiral Framework for 2-Iminoimidazolidine with 2-Methylphenyl Pendant and the Guanidine-Catalyzed Asymmetric Michael Reaction of tert-Butyl Diphenyliminoacetate and Ethyl Acrylate
Journal of Organic Chemistry, 2008, 73, 133-141
4023305 CIFC14 H16 N2 O2P 21 21 29.5277; 10.5566; 12.3874
90; 90; 90
1245.93Rishi G. Vaswani; A. Richard Chamberlin
Stereocontrolled Total Synthesis of (-)-Kaitocephalin
Journal of Organic Chemistry, 2008, 73, 1661-1681
4023922 CIFC21 H23 N O3P 21 21 215.0063; 19.0084; 6.7002
90; 90; 90
1911.2Ta-Jung Lu; Cheng-Kun Lin
Asymmetric Synthesis of α-Amino Acids: Preparation and Alkylation of Monocyclic Iminolactones Derived from α-Methyl trans-Cinnamaldehyde
Journal of Organic Chemistry, 2008, 73, 9527-9534
4024147 CIFC34 H28 Ag F3 N O5 P S2P 21 21 223.419; 11.296; 12.658
90; 90; 90
3348.5Medha N. Kamat; Nigam P. Rath; Alexei V. Demchenko
Versatile Synthesis and Mechanism of Activation of S-Benzoxazolyl Glycosides
Journal of Organic Chemistry, 2007, 72, 6938-6946
4024236 CIFC26 H20P 21 21 214.1975; 14.937; 8.9175
90; 90; 90
1891.2Hui Huang; Timothy Stewart; Matthias Gutmann; Takashi Ohhara; Nobuo Niimura; Yu-Xue Li; Jian-Feng Wen; Robert Bau; Henry N. C. Wong
To Flip or Not To Flip? Assessing the Inversion Barrier of the Tetraphenylene Framework with Enantiopure 2,15-Dideuteriotetraphenylene and 2,7-Dimethyltetraphenylene
Journal of Organic Chemistry, 2009, 74, 359-369
4024566 CIFC13 H16 F3 N O5P 21 21 27.034; 25.673; 8.066
90; 90; 90
1456.6Franca M. Cordero; Maria Salvati; Carolina Vurchio; Armin de Meijere; Alberto Brandi
Synthesis of α-Cyclopropyl-β-homoprolines
Journal of Organic Chemistry, 2009, 74, 4225-4231
4024615 CIFC27 H33 Cl3 I N3 O5P 21 21 234.192; 8.269; 11.228
90; 90; 90
3174.5Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez
Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives
Journal of Organic Chemistry, 2009, 74, 4655-4665
4025816 CIFC17 H20 N2 O2P 21 21 29.829; 15.776; 10.514
90; 90; 90
1630.3Zhengren Xu; Weimin Hu; Qiang Liu; Lihe Zhang; Yanxing Jia
Total Synthesis of Clavicipitic Acid and Aurantioclavine: Stereochemistry of Clavicipitic Acid Revisited
Journal of Organic Chemistry, 2010, 75, 7626-7635
4026133 CIFC10 H15 N O2 SP 21 21 26.9899; 22.4792; 6.8185
90; 90; 90
1071.37Donn G. Wishka; Marion Bédard; Katherine E. Brighty; Richard A. Buzon; Kathleen A. Farley; Michael W. Fichtner; Goss S. Kauffman; Jaap Kooistra; Jason G. Lewis; Hardwin O'Dowd; Ivan J. Samardjiev; Brian Samas; Geeta Yalamanchi; Mark C. Noe
An Asymmetric Synthesis of (2S,5S)-5-Substituted Azepane-2-Carboxylate Derivatives
Journal of Organic Chemistry, 2011, 76, 1937-1940
4026360 CIFC14 H0 N2 OP 21 21 214.2022; 14.2864; 11.7464
90; 90; 90
2383.3Ojas A. Namjoshi; Angelica Gryboski; German O. Fonseca; Michael L. Van Linn; Zhi-jian Wang; Jeffrey R. Deschamps; James M. Cook
Development of a Two-Step Route to 3-PBC and βCCt, Two Agents Active against Alcohol Self-Administration in Rodent and Primate Models
Journal of Organic Chemistry, 2011, 76, 4721-4727
4026378 CIFC12 H17 N3 OP 21 21 211.214; 11.4761; 9.396
90; 90; 90
1209.2Illia Panov; Pavel Drabina; Zdeňka Padělková; Petr Šim°unek; Miloš Sedlák
Highly Enantioselective Nitroaldol Reactions Catalyzed by Copper(II) Complexes Derived from Substituted 2-(Pyridin-2-yl)imidazolidin-4-one Ligands
Journal of Organic Chemistry, 2011, 76, 4787-4793
4026411 CIFC12 H18 N2 O4P 21 21 29.8572; 23.3339; 5.9374
90; 90; 90
1365.64Takayoshi Arai; Atsuko Awata; Makiko Wasai; Naota Yokoyama; Hyuma Masu
Catalytic Asymmetric Friedel-Crafts/Protonation of Nitroalkenes and N-Heteroaromatics
Journal of Organic Chemistry, 2011, 76, 5450-5456
4027042 CIFC15 H21 N O5P 21 21 211.2502; 22.633; 5.7548
90; 90; 90
1465.3Franklin A. Davis; Narendra V. Gaddiraju; Naresh Theddu; Joshua R. Hummel; Sandeep K. Kondaveeti; Michael J. Zdilla
Enantioselective Synthesis of Cocaine C-1 Analogues using Sulfinimines (N-Sulfinyl Imines)
Journal of Organic Chemistry, 2012, 77, 2345-2359
4027144 CIFC23.5 H20 Cl N5 O3P 21 21 222.038; 7.2524; 13.9045
90; 90; 90
2222.3Nicolas Masurier; Roberta Aruta; Vincent Gaumet; Séverine Denoyelle; Emmanuel Moreau; Vincent Lisowski; Jean Martinez; Ludovic T. Maillard
Selective C-Acylation of 2-Aminoimidazo[1,2-a]pyridine: Application to the Synthesis of Imidazopyridine-Fused [1,3]Diazepinones
Journal of Organic Chemistry, 2012, 77, 3679-3685
4027478 CIFC19 H25 N O9P 21 21 221.575; 8.693; 10.727
90; 90; 90
2012Steen U. Hansen; Gavin J. Miller; Marek Baráth; Karl R. Broberg; Egle Avizienyte; Madeleine Helliwell; James Raftery; Gordon C. Jayson; John M. Gardiner
Synthesis and Scalable Conversion of l-Iduronamides to Heparin-Related Di- and Tetrasaccharides
Journal of Organic Chemistry, 2012, 77, 7823-7843
4027609 CIFC12 H6 O2 S2P 21 21 210.3846; 20.5813; 4.71636
90; 90; 90
1008.02John T. Henssler; Adam J. Matzger
Regiochemical Effects of Furan Substitution on the Electronic Properties and Solid-State Structure of Partial Fused-Ring Oligothiophenes
Journal of Organic Chemistry, 2012, 77, 9298-9303
4027643 CIFC32 H32 Br N5 O7P 21 21 218.9799; 28.093; 6.3717
90; 90; 90
3397.4Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard
Total Synthesis of Pactamycin and Pactamycate: A Detailed Account
Journal of Organic Chemistry, 2012, 77, 9458-9472
4027952 CIFC36 H46 F6 Fe N4 O6 S2P 21 21 215.398; 26.204; 10.6011
90; 90; 90
4277.4Laura Gómez; Mercè Canta; David Font; Irene Prat; Xavi Ribas; Miquel Costas
Regioselective Oxidation of Nonactivated Alkyl C-H Groups Using Highly Structured Non-Heme Iron Catalysts
Journal of Organic Chemistry, 2013, 78, 1421-1433
4028416 CIFC12 H27 Li N2 O2P 21 21 210.4; 19.0495; 7.6075
90; 90; 90
1507.2Chicheung Su; Russell Hopson; Paul G. Williard
Crystal Structure and Solution State Characterization of Lithium (S)-(1-(Bis(2-methoxyethyl)amino)-3-methylbutan-2-yl)(methyl)amide
Journal of Organic Chemistry, 2013, 78, 7288-7292
4028546 CIFC10 H4 F4 N8P 21 21 212.571; 20.299; 4.706
90; 90; 90
1200.9Michael De Rosa; David Arnold; Douglas Hartline
Four Mechanisms in the Reactions of 3-Aminopyrrole with 1,3,5-Triazines: Inverse Electron Demand Diels-Alder Cycloadditions vs SNAr Reactions via Uncatalyzed and Acid-Catalyzed Pathways
Journal of Organic Chemistry, 2013, 78, 8614-8623
4028731 CIFC38 H62 O4P 21 21 213.01; 18.68; 7.224
90; 90; 90
1756Yu Peng; Long Luo; Chang-Song Yan; Jian-Jian Zhang; Ya-Wen Wang
Ni-Catalyzed Reductive Homocoupling of Unactivated Alkyl Bromides at Room Temperature and Its Synthetic Application
Journal of Organic Chemistry, 2013, 78, 10960-10967
4028765 CIFC36 H38.5 B N0.5 O5P 21 21 215.326; 18.541; 11.368
90; 90; 90
3230.3Roza Vahabi; Wolfgang Frey; Jörg Pietruszka
Synthesis of Highly-Substituted Enantiomerically Pure Allylboronic Esters and Investigation of Their Stereoselective Addition to Aldehydes
Journal of Organic Chemistry, 2013, 78, 11549-11559
4028922 CIFC13 H16 N2 S2P 21 21 210.2156; 14.1494; 9.4788
90; 90; 90
1370.1Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz
Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues
The Journal of Organic Chemistry, 2008, 73, 2852-2861
4029452 CIFC24 H38 N2 O7P 21 21 216.598; 11.093; 13.208
90; 90; 90
2431.9Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko
Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.
The Journal of organic chemistry, 2014, 79, 5287-5300
4029453 CIFC24 H38 N2 O7P 21 21 211.046; 16.939; 13.237
90; 90; 90
2476.8Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko
Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.
The Journal of organic chemistry, 2014, 79, 5287-5300
4029532 CIFC20 H17 F3 O2P 21 21 27.5685; 28.8622; 8.1132
90; 90; 90
1772.28Cai, Hua; Nie, Jing; Zheng, Yan; Ma, Jun-An
Lithium binaphtholate-catalyzed enantioselective enyne addition to ketones: access to enynylated tertiary alcohols.
The Journal of organic chemistry, 2014, 79, 5484-5493
4029849 CIFC24 H44 O3 SiP 21 21 214.8863; 25.4284; 6.6202
90; 90; 90
2505.98Ravindar, Kontham; Caron, Pierre-Yves; Deslongchamps, Pierre
Anionic polycyclization entry to tricycles related to quassinoids and terpenoids: a stereocontrolled total synthesis of (+)-cassaine.
The Journal of organic chemistry, 2014, 79, 7979-7999
4029965 CIFC48 H66 Br2 O9 Si2P 21 21 228.0291; 25.3002; 13.8427
90; 90; 90
9816.4Myers, Eddie; Herrero-Gómez, Elena; Albrecht, Irina; Lachs, Jennifer; Mayer, Peter; Hanni, Matti; Ochsenfeld, Christian; Trauner, Dirk
Total synthesis of the proposed structure of trichodermatide a.
The Journal of organic chemistry, 2014, 79, 9812-9817
4029972 CIFC38 H38.25 Cl N2 O2.13 P PdP 21 21 220.891; 16.1795; 10.0364
90; 90; 90
3392.36Hao, Xin-Qi; Huang, Juan-Juan; Wang, Tao; Lv, Jing; Gong, Jun-Fang; Song, Mao-Ping
PCN Pincer Palladium(II) Complex Catalyzed Enantioselective Hydrophosphination of Enones: Synthesis of Pyridine-Functionalized Chiral Phosphine Oxides as NCsp(3)O Pincer Preligands.
The Journal of organic chemistry, 2014, 79, 9512-9530
4031075 CIFC34 H57 O7P 21 21 217.1991; 32.3567; 5.9359
90; 90; 90
3303.4Jastrzębska, Izabella; Morawiak, Maja; Rode, Joanna E.; Seroka, Barbara; Siergiejczyk, Leszek; Morzycki, Jacek W.
Oxidation of Olefins with Benzeneseleninic Anhydride in the Presence of TMSOTf.
The Journal of organic chemistry, 2015, 80, 6052-6061
4031363 CIFC33.25 H25.5 Cl0.5 PP 21 21 218.848; 25.98; 10.209
90; 90; 90
4999.1Guidone, Stefano; Nahra, Fady; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.
Ruthenium indenylidene "1(st) generation" olefin metathesis catalysts containing triisopropyl phosphite.
Beilstein journal of organic chemistry, 2015, 11, 1520-1527
4031369 CIFH10 Np2 O20 S3P 21 21 29.474; 10.065; 8.409
90; 90; 90
801.847Alcock, N.W.; Roberts, M.M.; Brown, D.
Actinide structural studies. Part 3. The crystal and molecular structures of (U O2 S O4) (H2 S O4) (H2 O)5 and (Np O2 S O4)2 (H2 S O4) (H2 O)4
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1982, 1982, 869-873
4032068 CIFC46 H90 N2 O38P 21 21 216.7086; 21.6694; 8.223
90; 90; 90
2977.26Koyanagi, Kohei; Takashima, Yoshinori; Nakamura, Takashi; Yamaguchi, Hiroyasu; Harada, Akira
Radical polymerization by a supramolecular catalyst: cyclodextrin with a RAFT reagent
Beilstein Journal of Organic Chemistry, 2016, 12, 2495
4032210 CIFC25 H27 N2 O5 S2P 21 21 216.865; 24.087; 6.115
90; 90; 90
2484.1Zhao, Senzhi; Andrade, Rodrigo B.
Development and Scope of the Arene-Fused Domino Michael/Mannich Reaction: Application to the Total Syntheses of Aspidosperma Alkaloids (-)-Aspidospermidine, (-)-Tabersonine, and (-)-Vincadifformine.
The Journal of organic chemistry, 2017, 82, 521-531
4032216 CIFC23 H29 N O6 S SiP 21 21 211.1118; 21.422; 10.2188
90; 90; 90
2432.5Li, Xiang; Huang, Wei; Liu, Yan-Qing; Kang, Jing-Wen; Xia, Dan; He, Gu; Peng, Cheng; Han, Bo
Control of Activation Mode To Achieve Diastereodivergence in Asymmetric Syntheses of Chiral Spiropiperidinone Derivatives.
The Journal of organic chemistry, 2017, 82, 397-406

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