Crystallography Open Database

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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
4032660 CIFC14 H26 O2 SiP 21 21 218.3637; 14.1093; 12.0122
90; 90; 90		3112.35Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.
Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.
The Journal of organic chemistry, 2017, 82, 8008-8022
4033141 CIFC15 H23 Cl3 N2 O3P 21 21 211.6324; 26.0858; 6.4645
90; 90; 90		1961.59Martinez-Alsina, Luis A; Murray, John C.; Buzon, Leanne M.; Bundesmann, Mark W.; Young, Joseph M.; O'Neill, Brian T
Spiropiperidine Sultam and Lactam Templates: Diastereoselective Overman Rearrangement and Metathesis followed by NH Arylation.
The Journal of organic chemistry, 2017, 82, 12246-12256
4033347 CIFC28 H24 F N OP 21 21 216.6532; 21.5744; 6.152
90; 90; 90		2210.31Li, Lin-Zhi; Wang, Cong-Shuai; Guo, Wei-Feng; Mei, Guang-Jian; Shi, Feng
Catalytic Asymmetric [4+2] Cycloaddition of in Situ Generated o-Quinone Methide Imines with o-Hydroxystyrenes: Diastereo- and Enantioselective Construction of Tetrahydroquinoline Frameworks.
The Journal of organic chemistry, 2018, 83, 614-623
4033729 CIFC22 H36 O4P 21 21 29.5866; 24.3205; 9.5513
90; 90; 90		2226.89Yang, Min; Li, Xiao-Lu; Wang, Jian-Rong; Lei, Xinxiang; Tang, Wei; Li, Xu-Wen; Sun, Han; Guo, Yue-Wei
Sarcomililate A, an Unusual Diterpenoid with Tricyclo[11.3.0.0<sup>2,16</sup>]hexadecane Carbon Skeleton, and Its Potential Biogenetic Precursors from the Hainan Soft Coral Sarcophyton mililatensis.
The Journal of organic chemistry, 2019, 84, 2568-2576
4033785 CIFC36 H28 N6 O3P 21 21 220.1905; 15.9988; 9.2004
90; 90; 90		2971.9Sakhare, Priyanka R.; Subramanian, Parthasarathi; Kaliappan, Krishna P.
Copper Catalyzed Oxidative C-C Bond Cleavage of 1,2-Diketones: A Divergent Approach to 1,8-Naphthalimides, Biphenyl-2,2'-dicarboxamides, and N-Heterocyclic Amides.
The Journal of organic chemistry, 2019, 84, 2112-2125
4033901 CIFC15 H22 O3P 21 21 213.5577; 14.5611; 6.8904
90; 90; 90		1360.27Wu, Qihao; Ye, Fei; Li, Xiao-Lu; Liang, Lin-Fu; Sun, Jiadong; Sun, Han; Guo, Yue-Wei; Wang, Hong
Uncommon Polyoxygenated Sesquiterpenoids from South China Sea Soft Coral Lemnalia flava.
The Journal of organic chemistry, 2019, 84, 3083-3092
4034048 CIFC44 H52P 21 21 218.9017; 26.689; 6.9776
90; 90; 90		3520Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.
Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.
The Journal of organic chemistry, 2019, 84, 10120-10135
4034239 CIFC30 H23 Cl N2 O6 SP 21 21 220.2062; 13.294; 10.06784
90; 90; 90		2704.44Zhou, Xiao-Jian; Zhao, Jian-Qiang; Chen, Xin-Meng; Zhuo, Jun-Rui; Zhang, Yan-Ping; Chen, Yong-Zheng; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng
Organocatalyzed Asymmetric Dearomative Aza-Michael/Michael Addition Cascade of 2-Nitrobenzofurans and 2-Nitrobenzothiophenes with 2-Aminochalcones.
The Journal of organic chemistry, 2019, 84, 4381-4391
4034297 CIFC24 H35 N O4P 21 21 219.6655; 38.468; 12.8796
90; 90; 90		9743.3Wu, Zhaodi; Zhang, Xiaotian; Al Anbari, Weaam Hasan; Zhang, Mi; Chen, Xia; Luo, Zengwei; Li, Xiao-Nian; Chen, Chunmei; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui
Amiaspochalasins A-H, Undescribed Aspochalasins with a C-21 Ester Carbonyl from Aspergillus micronesiensis.
The Journal of organic chemistry, 2019, 84, 5483-5491
4034425 CIFC15 H25 N O3 SP 21 21 214.1638; 14.8141; 7.77
90; 90; 90		1630.33Kralt, Braden; Moreira, Ryan; Palmer, Michael; Taylor, Scott D.
Total Synthesis of A54145 Factor D.
The Journal of organic chemistry, 2019, 84, 12021-12030
4035301 CIFC19 H22 Cl F6 N3 O2 SP 21 21 212.9162; 31.0699; 5.8565
90; 90; 90		2350.24Elías-Rodríguez, Pilar; Pingitore, Valeria; Carmona, Ana T.; Moreno-Vargas, Antonio J; Ide, Daisuke; Miyawaki, Shota; Kato, Atsushi; Álvarez, Eleuterio; Robina, Inmaculada
Discovery of a Potent α-Galactosidase Inhibitor by in Situ Analysis of a Library of Pyrrolizidine-(Thio)urea Hybrid Molecules Generated via Click Chemistry.
The Journal of organic chemistry, 2018, 83, 8863-8873
4035661 CIFC21 H32 N3 O3P 21 21 219.9729; 10.88812; 9.57079
90; 90; 90		2081.33Liang, Kangjiang; Tong, Xiaogang; Li, Tao; Shi, Bingfei; Wang, Haiyang; Yan, Pengcheng; Xia, Chengfeng
Enantioselective Radical Cyclization of Tryptamines by Visible Light-Excited Nitroxides.
The Journal of organic chemistry, 2018, 83, 10948-10958
4035677 CIFC18 H22 O2P 21 21 216.2248; 21.607; 8.7927
90; 90; 90		3082.5Kang, Houng; Herling, Madison R.; Niederer, Kyle A.; Lee, Young Eun; Vasu Govardhana Reddy, Peddiahgari; Dey, Sangeeta; Allen, Scott E.; Sung, Paul; Hewitt, Kirsten; Torruellas, Carilyn; Kim, Gina J.; Kozlowski, Marisa C.
Enantioselective Vanadium-Catalyzed Oxidative Coupling: Development and Mechanistic Insights.
The Journal of organic chemistry, 2018, 83, 14362-14384
4036035 CIFC24 H18 O4P 21 21 27.2833; 12.8375; 12.4934
90; 90; 90		1168.12Sako, Makoto; Aoki, Takanori; Zumbrägel, Nadine; Schober, Lukas; Gröger, Harald; Takizawa, Shinobu; Sasai, Hiroaki
Chiral Dinuclear Vanadium Complex-Mediated Oxidative Coupling of Resorcinols.
The Journal of organic chemistry, 2019, 84, 1580-1587
4036072 CIFC20 H28 OP 21 21 215.4691; 30.463; 6.74
90; 90; 90		3176.13Ganga-Sah, Yumeela; Leznoff, Daniel B.; Bennet, Andrew J.
Synthesis of Sterically Congested 2,2'-Bi(Adamantyl)-based Alcohol and Amines.
The Journal of organic chemistry, 2019
4036593 CIFC139 H188 N8 O43P 21 21 219.8195; 22.8286; 7.8633
90; 90; 90		3557.8Smith, Aaron C.; Cabral, Shawn; Kung, Daniel W.; Rose, Colin R.; Southers, James A.; García-Irizarry, Carmen N; Damon, David B.; Bagley, Scott W.; Griffith, David A.
The Synthesis of Methyl-Substituted Spirocyclic Piperidine-Azetidine (2,7-Diazaspiro[3.5]nonane) and Spirocyclic Piperidine-Pyrrolidine (2,8-Diazaspiro[4.5]decane) Ring Systems.
The Journal of organic chemistry, 2016, 81, 3509-3519
4037188 CIFC28 H33 N5 O2P 21 21 220.393; 23.8095; 10.623
90; 90; 90		5158Cardoso, Ana L.; Henriques, Marta S. C.; Paixão, José A; Pinho E Melo, Teresa M V D
(1H-Tetrazol-5-yl)-Allenes: Building Blocks for Tetrazolyl Heterocycles.
The Journal of organic chemistry, 2016, 81, 9028-9036
4037414 CIFC31 H37 N5 O8P 21 21 228.3091; 23.6454; 5.2375
90; 90; 90		3505.88Pušavec Kirar, Eva; Grošelj, Uroš; Golobič, Amalija; Požgan, Franc; Pusch, Stefan; Weber, Carina; Andernach, Lars; Štefane, Bogdan; Opatz, Till; Svete, Jurij
Absolute Configuration Determination of 2,3-Dihydro-1H,5H-pyrazolo[1,2-a]pyrazoles Using Chiroptical Methods at Different Wavelengths.
The Journal of organic chemistry, 2016, 81, 11802-11812
4037559 CIFC100 H122 O25P 21 21 223.323; 25.0931; 7.6786
90; 90; 90		4493.87Li, Qin; Chen, Chunmei; Cheng, Li; Wei, Mengsha; Dai, Chong; He, Yan; Gong, Jiaojiao; Zhu, Runqi; Li, Xiao-Nian; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui
Emeridones A-F, a Series of 3,5-Demethylorsellinic Acid-Based Meroterpenoids with Rearranged Skeletons from an Endophytic Fungus Emericella sp. TJ29.
The Journal of organic chemistry, 2019, 84, 1534-1541
4037709 CIFC26 H20 Br F3 N2 OP 21 21 218.549; 15.9048; 7.709
90; 90; 90		2274.29Xu, Xinyao; He, Yanmin; Zhou, Jingqi; Li, Xinjuan; Zhu, Bo; Chang, Junbiao
Organocatalytic Asymmetric Michael Addition of Pyrazol-5-ones to β-Trifluoromethyl-α,β-unsaturated ketones: Stereocontrolled Construction of Vicinal Quaternary and Tertiary Stereocenters.
The Journal of organic chemistry, 2019
4037753 CIFC23 H18 Br N O3 SP 21 21 218.9348; 20.293; 5.3935
90; 90; 90		2072.42Hu, Sha; Wang, Jiaqi; Huang, Guanxin; Zhu, Kejie; Chen, Fener
Organocatalytic Asymmetric Domino oxa-Michael-Mannich-[1,3]-Amino Rearrangement Reaction of N-Tosylsalicylimines to α,β-Unsaturated Aldehydes by Diarylprolinol Silyl Ethers.
The Journal of organic chemistry, 2019
4037898 CIFC63 H74 Cl2 O12P 21 21 219.0731; 42.4808; 7.1555
90; 90; 90		5797.7Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael
Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes.
The Journal of organic chemistry, 2020
4038048 CIFC15 H17 N3 O4P 21 21 212.2123; 24.8626; 4.7975
90; 90; 90		1456.66Elbatrawi, Yassin M.; Pedretty, Kyle P.; Giddings, Nicole; Woodcock, H. Lee; Del Valle, Juan R.
δ-Azaproline and its oxidized variants.
The Journal of organic chemistry, 2020
4038236 CIFC27 H28 N2 O4 S4P 21 21 216.76; 25.156; 6.3059
90; 90; 90		2658.7Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei
Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.
The Journal of organic chemistry, 2020, 85, 5351-5361
4038644 CIFC17 H16 Cl2 N2 O6P 21 21 214.7629; 13.4736; 8.8054
90; 90; 90		1751.48Sun, Guodong; Wang, Zhongqing; Luo, Zhonghua; Lin, YiCao; Deng, Zhuofei; Li, Ridong; Zhang, Jiancun
Design, Synthesis and Resolution of Spirocyclic Bisoxindoles Based C2-Symmetric Diols.
The Journal of organic chemistry, 2020
4038758 CIFC78 H68 O8 Rh2P 21 21 231.5424; 8.3838; 11.996
90; 90; 90		3172.28Wertz, Benjamin; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Davies, Huw M. L.
Comparison of 1,2-Diarylcyclopropanecarboxylates with 1,2,2-Triarylcyclopropanecarboxylates as Chiral Ligands for Dirhodium-Catalyzed Cyclopropanation and C-H Functionalization.
The Journal of organic chemistry, 2020
4060532 CIFC21 H31 F6 Ir N3 O2 PP 21 21 215.3775; 8.4994; 9.2423
90; 90; 90		1207.96Díez, Josefina; Gamasa, M. Pilar; Gimeno, José; Paredes, Paloma
Novel Iridium Complexes Containing 2,6-Bis(oxazoline)pyridine Ligands: Synthesis and Reactivity of the Diolefin Iridium(I) Complex [Ir(η^2^-C~2~H~4~)2{κ^3^N,N,N-(S,S)-i-Pr-pybox}][PF~6~] ((S,S)-i-Pr-pybox = 2,6-Bis(4'-(S)-isopropyloxazolin-2'-yl)pyridine)
Organometallics, 2005, 24, 1799-1802
4060977 CIFC10 H20 Cu F6 N2 P S2P 21 21 215.917; 30.197; 7.3647
90; 90; 90		3539.7Conry ,Rebecca R.; Tipton, A. Alex; Striejewske, William S.; Erkizia, Edurne; Malwitz, Mark A.; Caffaratti, Angela; Natkin, Jonathan A.
Copper Complexes with N-Alkylated NS~2~-Macrocyclic Ligands: Synthesis, Characterization, and Capabilities as Aziridination Precatalysts
Organometallics, 2004, 23, 5210-5218
4061087 CIFC32 H58 Li2 N4P 21 21 213.432; 10.439; 11.186
90; 90; 90		1568.4Strohmann, Carsten; Strohfeldt, Katja; Schildbach, Daniel; McGrath, Matthew J.; O'Brien, Peter
Crystal Structures of (+)-Sparteine Surrogate Adducts of Methyllithium and Phenyllithium
Organometallics, 2004, 23, 5389-5391
4061088 CIFC26 H50 Li2 N4P 21 21 210.071; 13.909; 9.755
90; 90; 90		1366.5Strohmann, Carsten; Strohfeldt, Katja; Schildbach, Daniel; McGrath, Matthew J.; O'Brien, Peter
Crystal Structures of (+)-Sparteine Surrogate Adducts of Methyllithium and Phenyllithium
Organometallics, 2004, 23, 5389-5391
4061578 CIFC22 H32 Fe N2P 21 21 210.3055; 13.7375; 6.7946
90; 90; 90		961.92Organometallics, 2005
4061709 CIFC72 H60 Cl4 O4 P2 Ru2P 21 21 213.776; 21.201; 10.7958
90; 90; 90		3153Dyson, Paul J.; Geldbach, Tilmann J.; Chaplin, Adrian B.; Hänni, Kevin D.; Scopelliti, Rosario
Organometallics, 2005
4061980 CIFC42 H56 F6 O10 P2 S2 Sn2P 21 21 214.7503; 17.5026; 9.9932
90; 90; 90		2579.9Organometallics, 2003
4062120 CIFC17 H8 Cl Ir N2 O5 WP 21 21 217.337; 17.05; 6.905
90; 90; 90		2041.1Pizzotti, Maddalena; Ugo, Renato; Dragonetti, Claudia; Annoni, Elisabetta; Demartin, Francesco; Mussini, Patrizia
Unexpected Formation of a Weak Metal-Metal Bond: Synthesis, Electronic Properties, and Second-Order NLO Responses of Push-Pull Late-Early Heteronuclear Bimetallic Complexes with W(CO)~3~(1,10-phenanthroline) Acting as a Donor Ligand
Organometallics, 2003, 22, 4001-4011
4062130 CIFC46 H74 N6 ZrP 21 21 212.399; 19.467; 9.607
90; 90; 90		2318.9Benetollo, Franco; Carta, Giovanni; Cavinato, Gianni; Crociani, Laura; Paolucci, Gino; Rossetto, Gilberto; Veronese, Francesco; Zanella, Pierino
New η^2^-formamidinyl Zr Complexes: Synthesis, Characterization and Catalytic activity
Organometallics, 2003, 22, 3985-3990
4062897 CIFC25 H29 N ZrP 21 21 28.708; 27.547; 8.547
90; 90; 90		2050.2Organometallics, 2004
4063146 CIFC31 H31 Fe2 O2 S2P 21 21 214.872; 23.0986; 7.9391
90; 90; 90		2727.26Organometallics, 2004
4064497 CIFC36 H36 Br2 N8 O4 Ru2P 21 21 213.619; 10.35; 13.132
90; 90; 90		1851Saha, Biswajit; Ghatak, Tapas; Sinha, Arup; Rahaman, S. M. Wahidur; Bera, Jitendra K.
Site-Directed Anchoring of an N-Heterocyclic Carbene on a Dimetal Platform: Evaluation of a Pair of Diruthenium(I) Catalysts for Carbene-Transfer Reactions from Ethyl Diazoacetate
Organometallics, 2011, 30, 2051
4064774 CIFC32.5 H41 Cl5 N2 O Ru SP 21 21 215.9876; 19.9233; 11.3939
90; 90; 90		3629.25Ginzburg, Yakov; Anaby, Aviel; Vidavsky, Yuval; Diesendruck, Charles E.; Ben-Asuly, Amos; Goldberg, Israel; Lemcoff, N. Gabriel
Widening the Latency Gap in Chelated Ruthenium Olefin Metathesis Catalysts
Organometallics, 2011, 30, 3430
4065202 CIFC54 H55 Cl3 Fe2 P3 ReP 21 21 216.041; 33.811; 9.857
90; 90; 90		5346.1Mejía, Esteban; Togni, Antonio
Rhenium Complexes Containing the Chiral Tridentate Ferrocenyl Ligand Pigiphos
Organometallics, 2011, 30, 4765
4065301 CIFC33 H53 Cl2 N3 PdP 21 21 216.241; 20.146; 10.578
90; 90; 90		3461Chen, Ming-Tsz; Vicic, David A.; Turner, Michael L.; Navarro, Oscar
(N-Heterocyclic Carbene)PdCl2(TEA) Complexes: Studies on the Effect of the “Throw-Away” Ligand in Catalytic Activity
Organometallics, 2011, 30, 5052
4066014 CIFC80 H60 Cu I N2 O6 P2P 21 21 213.686; 24.927; 10.4443
90; 90; 90		3563.1Drinkel, Emma; Briceño, Alexander; Dorta, Reto; Dorta, Romano
Hemilabile P-Alkene Ligands in Chiral Rhodium and Copper Complexes: Catalytic Asymmetric 1,4 Additions to Enones. 2†,(1)
Organometallics, 2010, 29, 2503
4067505 CIFC43 H28 Cl2P 21 21 28.4832; 14.22; 12.4919
90; 90; 90		1506.9Oulié, Pascal; Altes, Lena; Milosevic, Sandra; Bouteille, Romain; Müller-Bunz, Helge; McGlinchey, Michael J.
Different Reactivity Patterns of Trimethylsilyl- and Phenyl-Substituted Propargylallenes: Fe2(CO)9- and [Ag]±Promoted Cyclizations
Organometallics, 2010, 29, 676
4067918 CIFC26 H36 Au2 N8 Na2 O12P 21 21 219.1628; 19.6311; 4.4177
90; 90; 90		1661.9Cure, Jérémy; Poteau, Romuald; Gerber, Iann C.; Gornitzka, Heinz; Hemmert, Catherine
Dimeric Gold Bis(carbene) Complexes by Transmetalation in Water
Organometallics, 2012, 31, 619
4068005 CIFC78 H125 N O17 Pd2P 21 21 225.203; 26.186; 13.8835
90; 90; 90		9162.6Hashmi, A. Stephen K.; Grundl, Marc A.; Riedel, Dominic; Rudolph, Matthias; Bats, Jan W.
A Highly Diastereoselective Recognition Process as the Basis for the Resolution of Palladatricyclo[4.1.0.02,4]heptanes
Organometallics, 2012, 31, 523
4068745 CIFC60 H68 N6 O2 P2 ZrP 21 21 214.5531; 46.4608; 12.5768
90; 90; 90		8503.8Zi, Guofu; Liu, Xue; Xiang, Li; Song, Haibin
Synthesis of Group 4 Metal Amides with New Chiral Biaryldiamine-Based Ligands and Their Use as Catalysts for Asymmetric Hydroamination/Cyclization
Organometallics, 2009, 28, 1127
4069115 CIFC51 H38 Al2 Cl F72 Mo2 N2 Na O11 S4P 21 21 216.335; 24.944; 11.876
90; 90; 90		4839Downing, Stephen P.; Hanton, Martin J.; Slawin, Alexandra M. Z.; Tooze, Robert P.
Bis(alkylthioethyl)amine Complexes of Molybdenum
Organometallics, 2009, 28, 2417
4069741 CIFC51 H94 Cl2 F6 O2 P6 Ru2 S2P 21 21 215.5384; 25.2257; 8.5389
90; 90; 90		3347Lin, Yan; Yuan, Jingjing; Hu, Ming; Cheng, Jie; Yin, Jun; Jin, Shan; Liu, Sheng Hua
Syntheses and Properties of Binuclear Ruthenium Vinyl Complexes with Dithienylethene Units as Multifunction Switches
Organometallics, 2009, 28, 6402
4070473 CIFC28 H24 Au3 Cl8 F6 N4 O2 PP 21 21 213.9886; 18.3767; 7.7039
90; 90; 90		1980.4Cinellu, Maria A.; Maiore, Laura; Minghetti, Giovanni; Cocco, Fabio; Stoccoro, Sergio; Zucca, Antonio; Manassero, Mario; Manassero, Carlo
Gold(III) Adducts with Chiral Pyridinyl-Oxazolines. Synthesis, Reactivity of the Coordinated Ligands, and Structural Characterizations
Organometallics, 2009, 28, 7015

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