Crystallography Open Database

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4513952 CIFC42 H57 Cl3 N4 Ni OP n a 2112.7494; 28.039; 11.5771
90; 90; 90
4138.6Pu, Xinghui; Hu, Jiefeng; Zhao, Yue; Shi, Zhuangzhi
Nickel-Catalyzed Decarbonylative Borylation and Silylation of Esters
ACS Catalysis, 2016, 6, 6692
4513953 CIFC24 H55 Cl P2 PdC 1 2/c 145.941; 8.7162; 14.6019
90; 102.274; 90
5713.4Hu, Yue; Shen, Zhiqiang; Huang, Hanmin
Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride
ACS Catalysis, 2016, 6, 6785
4513954 CIFC10 H8 N O2P 1 21/c 14.5967; 12.2704; 15.393
90; 94.473; 90
865.6Hu, Yue; Shen, Zhiqiang; Huang, Hanmin
Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride
ACS Catalysis, 2016, 6, 6785
4513955 CIFC16 H15 N OP 14.6759; 11.637; 12.148
101.704; 94.481; 97.981
637.1Hu, Yue; Shen, Zhiqiang; Huang, Hanmin
Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride
ACS Catalysis, 2016, 6, 6785
4513956 CIFC25 H24 Br O2 PP 1 21/n 114.349; 9.776; 16.959
90; 108.332; 90
2258Toda, Yasunori; Komiyama, Yutaka; Kikuchi, Ayaka; Suga, Hiroyuki
Tetraarylphosphonium Salt-Catalyzed Carbon Dioxide Fixation at Atmospheric Pressure for the Synthesis of Cyclic Carbonates
ACS Catalysis, 2016, 6, 6906
4513960 CIFC11 H13 N O3 SP 1 21/c 19.45565; 18.07717; 13.18336
90; 103.903; 90
2187.43Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément
Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination
ACS Catalysis, 2016, 6, 7183
4513961 CIFC17 H18 N2 O4 SP 1 21/c 111.81121; 8.41417; 16.5698
90; 90.8215; 90
1646.56Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément
Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination
ACS Catalysis, 2016, 6, 7183
4513962 CIFC19 H17 N O4 SP 1 21/c 110.28582; 9.52978; 16.564
90; 90.4024; 90
1623.59Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément
Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination
ACS Catalysis, 2016, 6, 7183
4513963 CIFC18 H19 N O4 SP 21 21 215.45149; 15.7094; 38.6948
90; 90; 90
3313.81Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément
Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination
ACS Catalysis, 2016, 6, 7183
4513970 CIFC84 H84 Cd2 N4 O16 V2P 2 2 2134.388; 34.853; 13.3846
90; 90; 90
16041.8Zhu, Chengfeng; Xia, Qingchun; Chen, Xu; Liu, Yan; Du, Xia; Cui, Yong
Chiral Metal‒Organic Framework as a Platform for Cooperative Catalysis in Asymmetric Cyanosilylation of Aldehydes
ACS Catalysis, 2016, 6, 7590
4513971 CIFC84 H84 Cd2 Cu N4 O16 VP 2 2 2133.9506; 35.3214; 13.4377
90; 90; 90
16114.3Zhu, Chengfeng; Xia, Qingchun; Chen, Xu; Liu, Yan; Du, Xia; Cui, Yong
Chiral Metal‒Organic Framework as a Platform for Cooperative Catalysis in Asymmetric Cyanosilylation of Aldehydes
ACS Catalysis, 2016, 6, 7590
4513972 CIFC22 H16 Cl NP 21 21 216.0503; 14.698; 18.444
90; 90; 90
1640.2Kim, Ju Hyun; Greßies, Steffen; Boultadakis-Arapinis, Mélissa; Daniliuc, Constantin; Glorius, Frank
Rh(I)/NHC*-Catalyzed Site- and Enantioselective Functionalization of C(sp3)‒H Bonds Toward Chiral Triarylmethanes
ACS Catalysis, 2016, 6, 7652
4513973 CIFC23 H19 N OP 21 21 215.7336; 16.8181; 17.4381
90; 90; 90
1681.53Kim, Ju Hyun; Greßies, Steffen; Boultadakis-Arapinis, Mélissa; Daniliuc, Constantin; Glorius, Frank
Rh(I)/NHC*-Catalyzed Site- and Enantioselective Functionalization of C(sp3)‒H Bonds Toward Chiral Triarylmethanes
ACS Catalysis, 2016, 6, 7652
4513974 CIFC45 H37 Cl O P2 PdP 1 21/n 111.0213; 23.615; 16.094
90; 105.537; 90
4035.7Chatterjee, Anamitra; Hopen Eliasson, Sondre H.; Törnroos, Karl W.; Jensen, Vidar R.
Palladium Precatalysts for Decarbonylative Dehydration of Fatty Acids to Linear Alpha Olefins
ACS Catalysis, 2016, 6, 7784
4513975 CIFC11 H13 Br O2 SP 1 21 19.6991; 9.587; 13.7942
90; 105.113; 90
1238.29Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming
Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine
ACS Catalysis, 2016, 6, 7778
4513976 CIFC20 H21 Br O2P 1 21 15.4678; 8.6283; 18.6625
90; 91.41; 90
880.19Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming
Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine
ACS Catalysis, 2016, 6, 7778
4513977 CIFC16 H15 Br O2P 1 21 18.8973; 6.9477; 12.2822
90; 100.56; 90
746.37Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming
Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine
ACS Catalysis, 2016, 6, 7778
4513979 CIFC51 H71 Cu Fe N2 O3 Si2P -110.7287; 11.7933; 20.5611
100.143; 97.14; 93.382
2532.29Chakraborty, Arundhoti; Kinney, R. Garrison; Krause, Jeanette A.; Guan, Hairong
Cooperative Iron‒Oxygen‒Copper Catalysis in the Reduction of Benzaldehyde under Water-Gas Shift Reaction Conditions
ACS Catalysis, 2016, 6, 7855
4513980 CIFC52 H63 Cu D6 Fe N2 O3P 1 21/n 111.9549; 10.1772; 40.3744
90; 95.356; 90
4890.8Chakraborty, Arundhoti; Kinney, R. Garrison; Krause, Jeanette A.; Guan, Hairong
Cooperative Iron‒Oxygen‒Copper Catalysis in the Reduction of Benzaldehyde under Water-Gas Shift Reaction Conditions
ACS Catalysis, 2016, 6, 7855
4513981 CIFC34 H51 Fe N2 PC 1 2/c 120.4853; 14.08083; 22.6949
90; 95.5664; 90
6515.47Espinal-Viguri, Maialen; King, Andrew K.; Lowe, John P.; Mahon, Mary F.; Webster, Ruth L.
Hydrophosphination of Unactivated Alkenes and Alkynes Using Iron(II): Catalysis and Mechanistic Insight
ACS Catalysis, 2016, 6, 7892
4513983 CIFC60.38 H57 Cl1.75 N4 O9C 1 2 133.03; 14.5141; 23.743
90; 106.097; 90
10936.1Ma, Chao; Huang, Yuan; Zhao, Yu
Stereoselective 1,6-Conjugate Addition/Annulation ofpara-Quinone Methides with Vinyl Epoxides/Cyclopropanes
ACS Catalysis, 2016, 6, 6408
4513984 CIFC24 H24 Cl N3 O2P 21 21 2110.405; 14.2652; 14.6935
90; 90; 90
2180.95Bertuzzi, Giulio; Sinisi, Alessandro; Caruana, Lorenzo; Mazzanti, Andrea; Fochi, Mariafrancesca; Bernardi, Luca
Catalytic Enantioselective Addition of Indoles to ActivatedN-Benzylpyridinium Salts: Nucleophilic Dearomatization of Pyridines with Unusual C-4 Regioselectivity
ACS Catalysis, 2016, 6, 6473
4513985 CIFC16 H24 I2 N8 NiP -18.3462; 8.4556; 8.796
113.763; 101.75; 91.594
552.02Lu, Zhiyao; Williams, Travis J.
Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions
ACS Catalysis, 2016, 6, 6670
4513986 CIFC16 H24 B2 N8 NiP 1 21/n 16.8569; 16.0355; 8.668
90; 98.926; 90
941.54Lu, Zhiyao; Williams, Travis J.
Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions
ACS Catalysis, 2016, 6, 6670
4516694 CIFC24 H25 N3 O2P 21 21 215.1839; 17.316; 23.0197
90; 90; 90
2066.35Qureshi, Zafar; Kim, Jung Yun; Bruun, Theodora; Lam, Heather; Lautens, Mark
Cu/Pd-Catalyzed Synthesis of Fully Decorated Polycyclic Triazoles: Introducing C‒H Functionalization to Multicomponent Multicatalytic Reactions ((MC)2R)
ACS Catalysis, 2016, 6, 4946
4516695 CIFC62 H81 O5 Si YP -112.0346; 14.3451; 16.9307
101.182; 90.368; 96
2850.61Xu, Tie-Qi; Yang, Guan-Wen; Lu, Xiao-Bing
Highly Isotactic and High-Molecular-Weight Poly(2-vinylpyridine) by Coordination Polymerization with Yttrium Bis(phenolate) Ether Catalysts
ACS Catalysis, 2016, 6, 4907
4516696 CIFC76 H87 Co N6 O2 Si2P 1 21 112.1686; 15.7163; 17.6104
90; 100.762; 90
3308.67Ibrahim, Abdulrahman D.; Entsminger, Steven W.; Zhu, Lingyang; Fout, Alison R.
A Highly Chemoselective Cobalt Catalyst for the Hydrosilylation of Alkenes using Tertiary Silanes and Hydrosiloxanes
ACS Catalysis, 2016, 6, 3589
4516697 CIFC168 H156 Cl4 N20 P4 Ru4P -419.0698; 19.0698; 9.8294
90; 90; 90
3574.5Hale, Lillian V. A.; Malakar, Tanmay; Tseng, Kuei-Nin T.; Zimmerman, Paul M.; Paul, Ankan; Szymczak, Nathaniel K.
The Mechanism of Acceptorless Amine Double Dehydrogenation byN,N,N-Amide Ruthenium(II) Hydrides: A Combined Experimental and Computational Study
ACS Catalysis, 2016, 6, 4799
4516698 CIFC184 H164 N24 P4 Ru4P 1 21/n 112.9692; 16.8857; 17.268
90; 90.769; 90
3781.2Hale, Lillian V. A.; Malakar, Tanmay; Tseng, Kuei-Nin T.; Zimmerman, Paul M.; Paul, Ankan; Szymczak, Nathaniel K.
The Mechanism of Acceptorless Amine Double Dehydrogenation byN,N,N-Amide Ruthenium(II) Hydrides: A Combined Experimental and Computational Study
ACS Catalysis, 2016, 6, 4799
4516699 CIFC23 H21 Cl N O2P 21 21 219.5413; 12.5331; 16.6646
90; 90; 90
1992.8Zhang, Ming; Sun, Wangsheng; Zhu, Gongming; Bao, Guangjun; Zhang, Bangzhi; Hong, Liang; Li, Min; Wang, Rui
Enantioselective Dearomative Arylation of Isoquinolines
ACS Catalysis, 2016, 6, 5290
4516700 CIFC38 H27 N OP -111.23; 12.753; 20.255
85.686; 80.147; 74.114
2747.7Li, Xingwei; Yang, Xifa; Qi, Zisong
Synthesis of Cyclopentadienols by Rhodium-Catalyzed C‒H Activation of 8-Formylquinolines and [2+2+1] Carbocyclization with Alkynes
ACS Catalysis, 2016, 6, 6372
4516701 CIFC26 H35 O5 PP 1 21/n 19.4338; 11.4458; 23.1231
90; 97.4269; 90
2475.83Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin
Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins
ACS Catalysis, 2016, 6, 7554
4516702 CIFC7 H5 O4 PP 1 21/n 14.5729; 14.1363; 11.7191
90; 100.631; 90
744.57Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin
Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins
ACS Catalysis, 2016, 6, 7554
4516703 CIFC48 H53 O12 P2 RhP -110.8599; 15.1287; 15.5406
102.742; 101.78; 100.56
2367.22Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin
Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins
ACS Catalysis, 2016, 6, 7554
4516704 CIFC18 H19 O5 PP 1 21/c 17.9973; 11.7658; 18.4161
90; 93.7246; 90
1729.2Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin
Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins
ACS Catalysis, 2016, 6, 7554
4516705 CIFC24 H27 N O4 SP -18.6854; 11.1584; 12.3533
110.734; 96.486; 95.657
1100.08Teske, Johannes; Plietker, Bernd
A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates
ACS Catalysis, 2016, 6, 7148
4516706 CIFC39 H32 B Cl2 F4 Fe N O3 P2P 1 21/n 116.7984; 13.6152; 16.9579
90; 103.928; 90
3764.5Teske, Johannes; Plietker, Bernd
A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates
ACS Catalysis, 2016, 6, 7148
4516707 CIFC40 H34 B Cl3 F4 Fe N2 O2 P2P -112.2695; 12.9467; 14.1404
78.636; 69.027; 83.561
2054.1Teske, Johannes; Plietker, Bernd
A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates
ACS Catalysis, 2016, 6, 7148
4516708 CIFC18 H21 F3 N4 Ni O3 SP 1 21/n 16.9941; 17.4234; 17.1188
90; 98.8919; 90
2061.04Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin
Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation
ACS Catalysis, 2016, 6, 8192
4516709 CIFC15 H16 I N3 Ni OP 1 21/c 113.4405; 10.5724; 11.268
90; 93.709; 90
1597.81Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin
Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation
ACS Catalysis, 2016, 6, 8192
4516710 CIFC18 H21 F3 N4 Ni O3 SC 1 2/c 114.416; 11.0236; 25.901
90; 98.801; 90
4067.62Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin
Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation
ACS Catalysis, 2016, 6, 8192
4516711 CIFC40 H46 Fe N4 O3P b c n24.0256; 13.1262; 22.3213
90; 90; 90
7039.4MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.
Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration
ACS Catalysis, 2016, 6, 7217
4516712 CIFC150 H162 F12 Fe4 N12 O6 P2P 21 21 222.7811; 22.9453; 13.3383
90; 90; 90
6972.2MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.
Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration
ACS Catalysis, 2016, 6, 7217
4516713 CIFC36 H36 Fe N6 O6P 1 21/n 18.0949; 23.7481; 17.1961
90; 97.427; 90
3278.02MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.
Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration
ACS Catalysis, 2016, 6, 7217
4516714 CIFC42 H50 Fe N4 O5P 1 21 115.49431; 16.23501; 15.84297
90; 107.287; 90
3805.28MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.
Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration
ACS Catalysis, 2016, 6, 7217
4516715 CIFC16 H15 N3 O4P 1 21/c 110.2029; 19.4064; 7.7687
90; 91.548; 90
1537.7Prieto, Alexis; Bouyssi, Didier; Monteiro, Nuno
Copper-Catalyzed Double C‒H Alkylation of Aldehyde-Derived N,N-Dialkylhydrazones with Polyhalomethanes: Flexible Access to 4-Functionalized Pyrazoles
ACS Catalysis, 2016, 6, 7197
4516716 CIFC33 H22 Cl3 N4 Ni O2P -19.0058; 9.3091; 17.9195
79.797; 80.388; 89.868
1457.21He, Zhiqi; Huang, Yong
Diverting C‒H Annulation Pathways: Nickel-Catalyzed Dehydrogenative Homologation of Aromatic Amides
ACS Catalysis, 2016, 6, 7814
4516717 CIFC45 H29 F4 N2 O2C 1 2 129.3161; 8.847; 16.2475
90; 122.222; 90
3564.9He, Zhiqi; Huang, Yong
Diverting C‒H Annulation Pathways: Nickel-Catalyzed Dehydrogenative Homologation of Aromatic Amides
ACS Catalysis, 2016, 6, 7814
4516718 CIFC19 H22 O5 SP 21 21 215.6343; 17.0439; 18.3976
90; 90; 90
1766.73Gutiérrez-Bonet, Álvaro; Tellis, John C.; Matsui, Jennifer K.; Vara, Brandon A.; Molander, Gary A.
1,4-Dihydropyridines as Alkyl Radical Precursors: Introducing the Aldehyde Feedstock to Nickel/Photoredox Dual Catalysis.
ACS catalysis, 2016, 6, 8004-8008
4516719 CIFC22 H40 Cl2 N2 Ni O5C 1 2/c 113.0843; 30.4; 6.6223
90; 92.47; 90
2631.7Gutiérrez-Bonet, Álvaro; Tellis, John C.; Matsui, Jennifer K.; Vara, Brandon A.; Molander, Gary A.
1,4-Dihydropyridines as Alkyl Radical Precursors: Introducing the Aldehyde Feedstock to Nickel/Photoredox Dual Catalysis.
ACS catalysis, 2016, 6, 8004-8008

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