Crystallography Open Database

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4515654 CIFC26 H21 F3 O2 SP 1 21 17.7702; 7.7862; 17.9926
90; 100.144; 90
1071.54Maddox, Sean M.; Dawson, Gregory A.; Rochester, Nicholas C.; Ayonon, Arianna B.; Moore, Curtis E.; Rheingold, Arnold L.; Gustafson, Jeffrey L.
Enantioselective Synthesis of Biaryl Atropisomers via the Addition of Thiophenols into Aryl-Naphthoquinones.
ACS catalysis, 2018, 8, 5443-5447
4515655 CIFC23.7 H15 Cl2.1 D0.7 F3 O4 SP 21 21 219.3182; 10.5061; 24.8751
90; 90; 90
2435.2Maddox, Sean M.; Dawson, Gregory A.; Rochester, Nicholas C.; Ayonon, Arianna B.; Moore, Curtis E.; Rheingold, Arnold L.; Gustafson, Jeffrey L.
Enantioselective Synthesis of Biaryl Atropisomers via the Addition of Thiophenols into Aryl-Naphthoquinones.
ACS catalysis, 2018, 8, 5443-5447
4515656 CIFC21 H20 N2 O3P 1 21/n 113.218; 8.696; 16.546
90; 98.483; 90
1881.1Pang, Shuai; Yang, Xing; Cao, Ze-Hun; Zhang, Yu-Long; Zhao, Yan; Huang, Yi-Yong
Intermolecular [2 + 2] Cycloaddition/Isomerization of Allenyl Imides and Unactivated Imines for the Synthesis of 1-Azadienes Catalyzed by a Ni(ClO4)2·6H2O Lewis Acid
ACS Catalysis, 2018, 8, 5193
4515657 CIFC22 H22 N2 O4P 1 21/n 110.559; 8.848; 20.03
90; 91.424; 90
1870.7Pang, Shuai; Yang, Xing; Cao, Ze-Hun; Zhang, Yu-Long; Zhao, Yan; Huang, Yi-Yong
Intermolecular [2 + 2] Cycloaddition/Isomerization of Allenyl Imides and Unactivated Imines for the Synthesis of 1-Azadienes Catalyzed by a Ni(ClO4)2·6H2O Lewis Acid
ACS Catalysis, 2018, 8, 5193
4515658 CIFC16 H21 Cl2 Fe N9 O2P n a 2113.7551; 18.856; 8.4263
90; 90; 90
2185.5Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao
Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.
ACS catalysis, 2018, 8, 5032-5037
4515659 CIFC15 H19 F3 N2 O4 SP -17.6537; 10.3038; 11.7
69.471; 74.774; 75.983
822.2Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao
Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.
ACS catalysis, 2018, 8, 5032-5037
4515660 CIFC18 H22 Cl3 F3 N2 O4 SP 21 21 216.1287; 17.2349; 21.6302
90; 90; 90
2284.74Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao
Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.
ACS catalysis, 2018, 8, 5032-5037
4515661 CIFC14 H22 F3 N O2P 1 21/c 111.8893; 5.2263; 24.518
90; 96.137; 90
1514.75Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao
Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.
ACS catalysis, 2018, 8, 5032-5037
4515662 CIFC16 H26 F3 N O2P 21 21 2111.579; 16.9733; 18.2465
90; 90; 90
3586.05Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao
Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.
ACS catalysis, 2018, 8, 5032-5037
4515663 CIFC19 H25 F3 N2 O4P 1 21/c 114.9198; 13.8571; 9.9498
90; 95.4351; 90
2047.82Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao
Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.
ACS catalysis, 2018, 8, 5032-5037
4515664 CIFC17 H39 As Co K2 Mo6 N O39.5P -112.0872; 12.5682; 17.2255
76.7; 74.058; 76.399
2407Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen
Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands
ACS Catalysis, 2018, 8, 6062
4515665 CIFC17 H44 As K2 Mo6 N Ni O42P -111.9612; 12.5318; 17.1943
76.499; 74.053; 76.535
2370.12Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen
Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands
ACS Catalysis, 2018, 8, 6062
4515666 CIFC17 H40 As K2 Mo6 N O41 ZnP -112.1425; 12.5739; 17.2226
76.443; 74.062; 76.225
2415.16Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen
Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands
ACS Catalysis, 2018, 8, 6062
4515667 CIFC17 H39 As K2 Mn Mo6 N O40P -112.2865; 12.6065; 17.2145
76.319; 73.933; 76.064
2445.2Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen
Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands
ACS Catalysis, 2018, 8, 6062
4515668 CIFC18 H87 As2 Co0.5 K3 Mo12 N6 Na O77.5P -116.1055; 18.5246; 19.0707
75.701; 65.877; 64.845
4681.8Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen
Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands
ACS Catalysis, 2018, 8, 6062
4515669 CIFC21 H44 As Co0.5 K5 Mo6 O44.5P -112.6575; 12.671; 18.5916
105.723; 91.318; 106.19
2740.7Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen
Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands
ACS Catalysis, 2018, 8, 6062
4515670 CIFC47.5 H70 N2 Ni O8P -111.54858; 30.1957; 32.8403
64.8392; 80.3426; 86.1838
10218.4Nett, Alex J.; Cañellas, Santiago; Higuchi, Yuki; Robo, Michael T.; Kochkodan, Jeanne M.; Haynes, 2nd, M Taylor; Kampf, Jeff W.; Montgomery, John
Stable, Well-Defined Nickel(0) Catalysts for Catalytic C-C and C-N Bond Formation.
ACS catalysis, 2018, 8, 6606-6611
4515671 CIFC97 H92 N2 Ni O8.5P -114.0561; 14.806; 22.1265
93.854; 102.679; 118.29
3876.59Nett, Alex J.; Cañellas, Santiago; Higuchi, Yuki; Robo, Michael T.; Kochkodan, Jeanne M.; Haynes, 2nd, M Taylor; Kampf, Jeff W.; Montgomery, John
Stable, Well-Defined Nickel(0) Catalysts for Catalytic C-C and C-N Bond Formation.
ACS catalysis, 2018, 8, 6606-6611
4515672 CIFC27 H22 N2 O3C 1 2/c 114.2005; 10.38306; 28.0529
90; 102.226; 90
4042.44Rej, Supriya; Chatani, Naoto
Rhodium(I)-Catalyzed C8-Alkylation of 1-Naphthylamide Derivatives with Alkenes through a Bidentate Picolinamide Chelation System
ACS Catalysis, 2018, 8, 6699
4515673 CIFC27 H36 I4 N2 SP -110.6361; 16.8158; 19.6467
91.7164; 105.424; 93.774
3375.9Horibe, Takahiro; Tsuji, Yasutaka; Ishihara, Kazuaki
Thiourea‒I2 as Lewis Base‒Lewis Acid Cooperative Catalysts for Iodochlorination of Alkene with In Situ-Generated I‒Cl
ACS Catalysis, 2018, 8, 6362
4515674 CIFC27 H36 Cl I3 N2 SP 1 21/n 110.689; 18.743; 16.225
90; 102.555; 90
3172.9Horibe, Takahiro; Tsuji, Yasutaka; Ishihara, Kazuaki
Thiourea‒I2 as Lewis Base‒Lewis Acid Cooperative Catalysts for Iodochlorination of Alkene with In Situ-Generated I‒Cl
ACS Catalysis, 2018, 8, 6362
4515675 CIFC17 H20 O7P c a 2112.9176; 15.173; 16.7769
90; 90; 90
3288.25Shu, Wei; Merino, Estíbaliz; Nevado, Cristina
Visible Light Mediated, Redox Neutral Remote 1,6-Difunctionalizations of Alkenes
ACS Catalysis, 2018, 8, 6401
4515676 CIFC27 H39 N2 Sc Si2P 1 21/c 116.7493; 17.9477; 9.7237
90; 105.053; 90
2822.8Li, Shihui; Liu, Dongtao; Wang, Zichuan; Cui, Dongmei
Development of Group 3 Catalysts for Alternating Copolymerization of Ethylene and Styrene Derivatives
ACS Catalysis, 2018, 8, 6086
4515677 CIFC33 H41 N3 O3P -111.5304; 11.8994; 12.6132
107.862; 96.62; 114.133
1444.35Li, Zhenghua; Song, Liangliang; Van Meervelt, Luc; Tian, Guilong; Van der Eycken, Erik V.
Cationic Gold(I)-Catalyzed Cascade Bicyclizations for Divergent Synthesis of (Spiro)polyheterocycles
ACS Catalysis, 2018, 8, 6388
4515678 CIFC21 H22 N2 O2 SP 21 21 219.2626; 11.273; 36.0958
90; 90; 90
3769Rigotti, Thomas; Casado-Sánchez, Antonio; Cabrera, Silvia; Pérez-Ruiz, Raúl; Liras, Marta; de la Peña O’Shea, Víctor A.; Alemán, José
A Bifunctional Photoaminocatalyst for the Alkylation of Aldehydes: Design, Analysis, and Mechanistic Studies
ACS Catalysis, 2018, 8, 5928
4515679 CIFC24 H20 N2 O2 SP 1 21 17.3859; 14.0495; 19.8207
90; 95.797; 90
2046.24Rigotti, Thomas; Casado-Sánchez, Antonio; Cabrera, Silvia; Pérez-Ruiz, Raúl; Liras, Marta; de la Peña O’Shea, Víctor A.; Alemán, José
A Bifunctional Photoaminocatalyst for the Alkylation of Aldehydes: Design, Analysis, and Mechanistic Studies
ACS Catalysis, 2018, 8, 5928
4515680 CIFC22 H17 N3 O2P 1 21/c 16.0252; 14.9032; 19.2088
90; 93.713; 90
1721.23Zhai, Shengxian; Qiu, Shuxian; Chen, Xiaoming; Tao, Cheng; Li, Yun; Cheng, Bin; Wang, Huifei; Zhai, Hongbin
Trifunctionalization of Allenes via Cobalt-Catalyzed MHP-Assisted C‒H Bond Functionalization and Molecular Oxygen Activation
ACS Catalysis, 2018, 8, 6645
4515681 CIFC38 H22 Cl2C 1 2/c 115.8675; 11.3225; 16.9255
90; 116.905; 90
2711.7Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel
TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation
ACS Catalysis, 2018, 8, 6079
4515682 CIFC40 H26 Cl2C 1 2/c 116.6618; 12.3936; 16.076
90; 119.312; 90
2894.7Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel
TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation
ACS Catalysis, 2018, 8, 6079
4515683 CIFC45 H54 OP -113.048; 15.9745; 20.3351
69.8393; 74.7061; 79.3386
3817.17Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel
TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation
ACS Catalysis, 2018, 8, 6079
4515684 CIFC115 H108 Cl2 F36 N6 O8 P2 Sb2P 4 21 223.156; 23.156; 45.3164
90; 90; 90
24298.7Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel
TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation
ACS Catalysis, 2018, 8, 6079
4515685 CIFC40 H28C 1 2/c 124.6931; 9.8945; 11.3008
90; 107.002; 90
2640.4Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel
TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation
ACS Catalysis, 2018, 8, 6079
4515686 CIFC57 H53 Au Cl F18 N3 O4 P SbP 21 21 2111.625; 21.7951; 24.924
90; 90; 90
6314.9Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel
TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation
ACS Catalysis, 2018, 8, 6079
4515687 CIFC85 H148 Au4 Cl4 F24 N4 O10 P4 S2 Sb4P -114.1224; 14.3201; 16.3265
111.05; 108.05; 90.835
2900.2Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel
TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation
ACS Catalysis, 2018, 8, 6079
4515688 CIFC42 H50 Cl2 F6 N2 O4 P SbP 21 21 2114.5593; 16.985; 18.089
90; 90; 90
4473.2Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel
TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation
ACS Catalysis, 2018, 8, 6079
4515689 CIFC64 H59 Cl2 F18 N3 O4 P SbP 1 21 111.2724; 25.712; 22.718
90; 98.349; 90
6514.7Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel
TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation
ACS Catalysis, 2018, 8, 6079
4515690 CIFC28 H18 Br2P 21 21 216.7543; 9.853; 31.4363
90; 90; 90
2092.09Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel
TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation
ACS Catalysis, 2018, 8, 6079
4515691 CIFC63 H59 Au Cl3 F18 N3 O4 P SbP 1 21 111.5608; 22.3675; 14.1582
90; 95.008; 90
3647.1Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel
TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation
ACS Catalysis, 2018, 8, 6079
4515692 CIFC56 H48 Au Cl5 F18 N2 O4 P SbP 21 21 2111.8911; 20.269; 26.818
90; 90; 90
6463.7Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel
TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation
ACS Catalysis, 2018, 8, 6079
4515693 CIFC40 H25.94 Cl2.06P 1 21/c 117.9011; 8.3634; 19.4197
90; 90.871; 90
2907.1Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel
TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation
ACS Catalysis, 2018, 8, 6079
4515694 CIFC21 H25 N3P -18.0652; 8.3219; 14.129
77.347; 83.454; 80.93
910.59Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel
TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation
ACS Catalysis, 2018, 8, 6079
4515695 CIFC23 H21 N OP -111.8311; 12.7714; 12.7734
69.209; 81.613; 86.471
1785Li, Deng-Yuan; Liu, Shuo; Chen, Shuang; Wang, An; Zhu, Xiao-Ping; Liu, Pei-Nian
Dual Role of Aryl Iodide in Cascade C‒H Arylation/Amination: Arylation Reagent and Cocatalyst for C‒N Formation
ACS Catalysis, 2018, 8, 6407
4515696 CIFC20 H26 N O4 ZnP 1 21/n 110.811; 16.451; 11.445
90; 101.668; 90
1993.5Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael
Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes
ACS Catalysis, 2018, 8, 6186
4515697 CIFC28 H47 Ni O4 PP -110.2938; 16.839; 17.23
73.123; 78.321; 87.036
2798.7Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael
Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes
ACS Catalysis, 2018, 8, 6186
4515698 CIFC13 H22 B N O2P 1 21/n 17.204; 34.935; 11.091
90; 92.218; 90
2789Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael
Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes
ACS Catalysis, 2018, 8, 6186
4515699 CIFC24 H32 N2 Ni O4P -17.96; 8.085; 9.656
108.25; 93.812; 94.208
585.9Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael
Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes
ACS Catalysis, 2018, 8, 6186
4515700 CIFC25 H41 Ni O4 PP -110.001; 10.415; 13.862
76.659; 77.984; 62.798
1240.7Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael
Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes
ACS Catalysis, 2018, 8, 6186
4515701 CIFC22 H22 F6 N2 Ni O4P -16.3927; 8.606; 10.965
86.398; 79.115; 86.957
590.7Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael
Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes
ACS Catalysis, 2018, 8, 6186
4515702 CIFC24 H28 N2 Ni O8P -16.736; 8.129; 11.969
101.952; 99.095; 99.806
619Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael
Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes
ACS Catalysis, 2018, 8, 6186
4515703 CIFC24 H20 N2 O6 PdP -18.78; 10; 13.272
101.969; 98.6857; 103.084
1086.1Hirano, Masafumi; Sano, Kosuke; Kanazawa, Yuki; Komine, Nobuyuki; Maeno, Zen; Mitsudome, Takato; Takaya, Hikaru
Mechanistic Insights on Pd/Cu-Catalyzed Dehydrogenative Coupling of Dimethyl Phthalate
ACS Catalysis, 2018, 8, 5827
4515704 CIFC22 H17 I N2 O4 PdP 1 21/c 17.939; 16.611; 16.219
90; 93.262; 90
2135.4Hirano, Masafumi; Sano, Kosuke; Kanazawa, Yuki; Komine, Nobuyuki; Maeno, Zen; Mitsudome, Takato; Takaya, Hikaru
Mechanistic Insights on Pd/Cu-Catalyzed Dehydrogenative Coupling of Dimethyl Phthalate
ACS Catalysis, 2018, 8, 5827
4515705 CIFC20 H18 O8C 1 2/c 118.828; 8.059; 12.153
90; 91.24; 90
1844Hirano, Masafumi; Sano, Kosuke; Kanazawa, Yuki; Komine, Nobuyuki; Maeno, Zen; Mitsudome, Takato; Takaya, Hikaru
Mechanistic Insights on Pd/Cu-Catalyzed Dehydrogenative Coupling of Dimethyl Phthalate
ACS Catalysis, 2018, 8, 5827
4515706 CIFC21 H18 Br2P 1 21/c 17.258; 18.732; 12.399
90; 93.746; 90
1682.1Su, Xiang; Chen, Bifeng; Wang, Shaohong; Chen, Hui; Chen, Chao
Atom- and Step-Efficient Construction of Five-Membered Carbocycles with Alkenes and Alkynes Catalyzed by AgSbF6
ACS Catalysis, 2018, 8, 7760
4515707 CIFC17 H15 N O5C 1 2 121.4471; 6.4084; 12.069
90; 113.464; 90
1521.62Li, Kaizhi; Jin, Zhichao; Chan, Wai-Lun; Lu, Yixin
Enantioselective Construction of Bicyclic Pyran and Hydrindane Scaffolds via Intramolecular Rauhut‒Currier Reactions Catalyzed by Thiourea-Phosphines
ACS Catalysis, 2018, 8, 8810
4515708 CIFC19 H17 Br O3P 21 21 218.8312; 11.2095; 16.7904
90; 90; 90
1662.14Li, Kaizhi; Jin, Zhichao; Chan, Wai-Lun; Lu, Yixin
Enantioselective Construction of Bicyclic Pyran and Hydrindane Scaffolds via Intramolecular Rauhut‒Currier Reactions Catalyzed by Thiourea-Phosphines
ACS Catalysis, 2018, 8, 8810
4515709 CIFC17 H12 N2 O4P 1 21/c 16.8554; 18.0992; 11.1588
90; 92.472; 90
1383.26Chen, Fei; Lai, Sheng-Qiang; Zhu, Fei-Fei; Meng, Qiang; Jiang, Yu; Yu, Wei; Han, Bing
Cu-Catalyzed Radical Cascade Annulations of Alkyne-Tethered N-Alkoxyamides with Air: Facile Access to Isoxazolidine/1,2-Oxazinane-Fused Isoquinolin-1(2H)-ones
ACS Catalysis, 2018, 8, 8925
4515710 CIFC18 H29 Cl Ir N OP -18.6737; 8.7731; 13.6686
78.458; 75.85; 88.359
987.94Tan, Guangying; You, Qiulin; You, Jingsong
Iridium-Catalyzed Oxidative Heteroarylation of Arenes and Alkenes: Overcoming the Restriction to Specific Substrates
ACS Catalysis, 2018, 8, 8709
4515711 CIFC32 H38 N2 O2 S2P 1 21/n 112.5365; 14.4554; 17.4788
90; 103.091; 90
3085.19Tan, Guangying; You, Qiulin; You, Jingsong
Iridium-Catalyzed Oxidative Heteroarylation of Arenes and Alkenes: Overcoming the Restriction to Specific Substrates
ACS Catalysis, 2018, 8, 8709
4515712 CIFC30 H12.5 Al Cl F15.5 NP 1 21/c 110.307; 26.879; 20.89
90; 101.156; 90
5678Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao
Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair
ACS Catalysis, 2018, 8, 8765
4515713 CIFC22 H21 N SiP -19.3329; 10.0874; 11.22
67.672; 88.245; 65.949
882.58Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao
Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair
ACS Catalysis, 2018, 8, 8765
4515714 CIFC27 H14 Al F16 N4P -110.4075; 10.6369; 13.0972
79.781; 79.01; 71.612
1339.9Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao
Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair
ACS Catalysis, 2018, 8, 8765
4515715 CIFC27 H9 Al F15 NP 1 21 17.4782; 17.022; 9.979
90; 107.975; 90
1208.3Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao
Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair
ACS Catalysis, 2018, 8, 8765
4515716 CIFC15 H11 F3 O2 S2P 1 21/c 111.7791; 5.8649; 21.894
90; 92.863; 90
1510.6Li, Haoyu; Cheng, Zengrui; Tung, Chen-Ho; Xu, Zhenghu
Atom Transfer Radical Addition to Alkynes and Enynes: A Versatile Gold/Photoredox Approach to Thio-Functionalized Vinylsulfones
ACS Catalysis, 2018, 8, 8237
4515717 CIFC21 H20 F4 O3 S2P 1 21/c 110.219; 20.254; 10.852
90; 107.747; 90
2139Li, Haoyu; Cheng, Zengrui; Tung, Chen-Ho; Xu, Zhenghu
Atom Transfer Radical Addition to Alkynes and Enynes: A Versatile Gold/Photoredox Approach to Thio-Functionalized Vinylsulfones
ACS Catalysis, 2018, 8, 8237
4515718 CIFC21 H36 Mn N O2 P2C 1 2/c 118.6272; 10.623; 23.1001
90; 101.192; 90
4484.04Zou, You-Quan; Chakraborty, Subrata; Nerush, Alexander; Oren, Dror; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David
Highly Selective, Efficient Deoxygenative Hydrogenation of Amides Catalyzed by a Manganese Pincer Complex via Metal-Ligand Cooperation.
ACS catalysis, 2018, 8, 8014-8019
4515719 CIFC42 H68 Mn2 N4 O4 P4P 1 21/c 111.6109; 18.5885; 21.5322
90; 99.218; 90
4587.26Zou, You-Quan; Chakraborty, Subrata; Nerush, Alexander; Oren, Dror; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David
Highly Selective, Efficient Deoxygenative Hydrogenation of Amides Catalyzed by a Manganese Pincer Complex via Metal-Ligand Cooperation.
ACS catalysis, 2018, 8, 8014-8019
4515720 CIFC29 H55 Fe N3 P2 Si2P 1 21/c 112.7712; 19.068; 15.4049
90; 110.526; 90
3513.3Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl
Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes
ACS Catalysis, 2018, 8, 7973
4515721 CIFC35 H67 Fe N3 P3 Si2P -110.589; 12.811; 15.92
92.93; 104.249; 99.001
2058.3Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl
Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes
ACS Catalysis, 2018, 8, 7973
4515722 CIFC31 H58 Fe N4 P2 Si2P 1 21/c 116.778; 15.4527; 16.706
90; 99.322; 90
4274.1Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl
Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes
ACS Catalysis, 2018, 8, 7973
4515723 CIFC40 H50 Fe N6 P2P 1 21/n 118.6843; 11.1179; 18.9515
90; 110.665; 90
3683.5Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl
Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes
ACS Catalysis, 2018, 8, 7973
4515724 CIFC39 H58 B Fe N5 O2 P2P 1 21/c 118.764; 11.2867; 20.592
90; 114.08; 90
3981.5Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl
Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes
ACS Catalysis, 2018, 8, 7973
4515725 CIFC22 H24 Cl N O RuP 1 21/n 111.6782; 8.2226; 20.44
90; 99.939; 90
1933.3Zhang, Luoqiang; Zhu, Lei; Zhang, Yuming; Yang, Yudong; Wu, Yimin; Ma, Weixin; Lan, Yu; You, Jingsong
Experimental and Theoretical Studies on Ru(II)-Catalyzed Oxidative C‒H/C‒H Coupling of Phenols with Aromatic Amides Using Air as Oxidant: Scope, Synthetic Applications, and Mechanistic Insights
ACS Catalysis, 2018, 8, 8324
4515726 CIFC23 H24 N2 O2P 1 21/c 18.295; 11.086; 21.615
90; 93.5; 90
1984Zhang, Luoqiang; Zhu, Lei; Zhang, Yuming; Yang, Yudong; Wu, Yimin; Ma, Weixin; Lan, Yu; You, Jingsong
Experimental and Theoretical Studies on Ru(II)-Catalyzed Oxidative C‒H/C‒H Coupling of Phenols with Aromatic Amides Using Air as Oxidant: Scope, Synthetic Applications, and Mechanistic Insights
ACS Catalysis, 2018, 8, 8324
4515727 CIFC33 H39 F6 N2 O2 Ru SbP 1 21/c 113.2275; 10.9193; 24.4944
90; 98.3993; 90
3499.9Zhang, Luoqiang; Zhu, Lei; Zhang, Yuming; Yang, Yudong; Wu, Yimin; Ma, Weixin; Lan, Yu; You, Jingsong
Experimental and Theoretical Studies on Ru(II)-Catalyzed Oxidative C‒H/C‒H Coupling of Phenols with Aromatic Amides Using Air as Oxidant: Scope, Synthetic Applications, and Mechanistic Insights
ACS Catalysis, 2018, 8, 8324
4515728 CIFC47 H43 Br Mn N O4 P2P -112.0659; 12.6901; 13.3087
94.285; 102.738; 90.704
1981.22Daw, Prosenjit; Kumar, Amit; Espinosa-Jalapa, Noel Angel; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David
Synthesis of Pyrazines and Quinoxalines via Acceptorless Dehydrogenative Coupling Routes Catalyzed by Manganese Pincer Complexes.
ACS catalysis, 2018, 8, 7734-7741
4515729 CIFC39 H31 B Mn N O2 P2P -110.0379; 11.3687; 15.6568
73.97; 77.542; 72.82
1623.02Daw, Prosenjit; Kumar, Amit; Espinosa-Jalapa, Noel Angel; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David
Synthesis of Pyrazines and Quinoxalines via Acceptorless Dehydrogenative Coupling Routes Catalyzed by Manganese Pincer Complexes.
ACS catalysis, 2018, 8, 7734-7741
4515730 CIFC39 H31 Mn N2 O2 P2R -3 :H37.5012; 37.5012; 11.98047
90; 90; 120
14591.3Daw, Prosenjit; Kumar, Amit; Espinosa-Jalapa, Noel Angel; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David
Synthesis of Pyrazines and Quinoxalines via Acceptorless Dehydrogenative Coupling Routes Catalyzed by Manganese Pincer Complexes.
ACS catalysis, 2018, 8, 7734-7741
4515731 CIFC20 H20 Br Cl2 N O PtP 1 21/c 19.7404; 13.3126; 17.0002
90; 104.115; 90
2137.9Shimbayashi, Takuya; Matsushita, Gaku; Nanya, Atsushi; Eguchi, Akira; Okamoto, Kazuhiro; Ohe, Kouichi
Divergent Catalytic Approach from Cyclic Oxime Esters to Nitrogen-Containing Heterocycles with Group 9 Metal Catalysts
ACS Catalysis, 2018, 8, 7773
4515732 CIFC33 H41 Cl2 N Ru SP 4310.0186; 10.0186; 30.9734
90; 90; 90
3108.87Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel
Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand
ACS Catalysis, 2018, 8, 8182
4515733 CIFC28 H36 Cl2 F3 N Ru SP n a 2116.3382; 16.5805; 10.4655
90; 90; 90
2835.1Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel
Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand
ACS Catalysis, 2018, 8, 8182
4515734 CIFC26 H32 Cl2 F3 N Ru SP -111.0669; 14.1689; 17.6536
103.228; 94.276; 100.447
2630.52Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel
Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand
ACS Catalysis, 2018, 8, 8182
4515735 CIFC32 H39 Cl4 N Ru SP c a 2119.868; 9.2131; 17.5258
90; 90; 90
3208Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel
Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand
ACS Catalysis, 2018, 8, 8182
4515736 CIFC43 H60 S Y2P 1 21/n 112.6411; 16.3119; 19.7095
90; 106.372; 90
3899.3Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin
Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes
ACS Catalysis, 2018, 8, 8027
4515737 CIFC25 H33 S YP 1 21/c 116.796; 8.4624; 16.616
90; 102.549; 90
2305.3Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin
Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes
ACS Catalysis, 2018, 8, 8027
4515738 CIFC50 H66 S2 Y2P -110.343; 10.6225; 10.683
94.507; 108.927; 92.924
1103.18Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin
Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes
ACS Catalysis, 2018, 8, 8027
4515739 CIFC20 H20 S SiP 1 21/n 19.7426; 9.7458; 18.818
90; 90.465; 90
1786.7Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin
Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes
ACS Catalysis, 2018, 8, 8027
4515740 CIFC23 H23 N S SiP 1 21/n 110.304; 17.9385; 11.4674
90; 107.757; 90
2018.6Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin
Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes
ACS Catalysis, 2018, 8, 8027
4515741 CIFC21 H25 Cl3 Ir N O3P 21 21 219.6875; 13.7823; 17.6769
90; 90; 90
2360.1Zhou, Gang; Aboo, Ahmed H.; Robertson, Craig M.; Liu, Ruixia; Li, Zhenhua; Luzyanin, Konstantin; Berry, Neil G.; Chen, Weiping; Xiao, Jianliang
N,O- vs N,C-Chelation in Half-Sandwich Iridium Complexes: A Dramatic Effect on Enantioselectivity in Asymmetric Transfer Hydrogenation of Ketones
ACS Catalysis, 2018, 8, 8020
4515742 CIFC21 H25 Cl Ir N O3P 6118.4094; 18.4094; 11.3169
90; 90; 120
3321.5Zhou, Gang; Aboo, Ahmed H.; Robertson, Craig M.; Liu, Ruixia; Li, Zhenhua; Luzyanin, Konstantin; Berry, Neil G.; Chen, Weiping; Xiao, Jianliang
N,O- vs N,C-Chelation in Half-Sandwich Iridium Complexes: A Dramatic Effect on Enantioselectivity in Asymmetric Transfer Hydrogenation of Ketones
ACS Catalysis, 2018, 8, 8020
4515743 CIFC20 H24 Cl N O4P 1 21 17.421; 16.048; 8.176
90; 101.174; 90
955.2Schmid, Steven C.; Guzei, Ilia A.; Fernández, Israel; Schomaker, Jennifer M.
Ring Expansion of Bicyclic Methyleneaziridines via Concerted, Near-Barrierless [2,3]-Stevens Rearrangements of Aziridinium Ylides.
ACS catalysis, 2018, 8, 7907-7914
4515744 CIFC29 H43 F6 N P SbP b c a16.4612; 13.7221; 26.85
90; 90; 90
6064.9Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel
N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis
ACS Catalysis, 2018, 8, 10457
4515745 CIFC30 H21 F18 N P SbC 1 2/c 127.034; 8.1387; 29.826
90; 95.017; 90
6537.2Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel
N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis
ACS Catalysis, 2018, 8, 10457
4515746 CIFC32 H24 Au Cl F18 N2 P SbP 1 21/n 18.7962; 27.1915; 16.076
90; 103.535; 90
3738.3Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel
N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis
ACS Catalysis, 2018, 8, 10457
4515747 CIFC27 H27 Cl2 F6 N P SbP -18.4844; 13.1717; 13.5679
92.667; 105.963; 100.874
1423.8Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel
N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis
ACS Catalysis, 2018, 8, 10457
4515748 CIFC26 H37 Au Cl F6 N P SbP -110.6409; 16.737; 17.0626
82.428; 84.084; 87.346
2994.6Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel
N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis
ACS Catalysis, 2018, 8, 10457
4515749 CIFC26 H37 F6 N P SbP 1 21/n 113.8885; 13.3919; 15.6069
90; 112.626; 90
2679.4Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel
N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis
ACS Catalysis, 2018, 8, 10457
4515750 CIFC26 H29 Cl F6 Ir N P SbP 1 21/c 111.9033; 8.2433; 28.535
90; 99.672; 90
2760.1Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel
N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis
ACS Catalysis, 2018, 8, 10457
4515751 CIFC26 H25 Au Cl F6 N P SbP -110.004; 10.1489; 15.7193
107.808; 92.182; 112.364
1383.43Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel
N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis
ACS Catalysis, 2018, 8, 10457
4515752 CIFC31.5 H24 Au Cl6 F18 N O2 P SbP -18.9106; 12.9646; 19.744
73.397; 82.399; 85.849
2165.1Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel
N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis
ACS Catalysis, 2018, 8, 10457
4515753 CIFC46 H40 O5P -111.0227; 11.4514; 15.2564
69.58; 76.609; 74.008
1715.2Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel
N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis
ACS Catalysis, 2018, 8, 10457

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