Crystallography Open Database

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4518473 CIFC15 H8 F8 SnP 1 21/m 17.1648; 12.225; 8.905
90; 110.083; 90
732.6Nakashima, Tomoya; Nakayama, Yuushou; Shiono, Takeshi; Tanaka, Ryo
Neutral, Noncoordinating, and Hydrocarbon-Soluble Protic Cocatalyst for Olefin Polymerization
ACS Catalysis, 2021, 11, 865-870
4518474 CIFC13 H19 N O4P 1 21/c 111.6772; 13.7805; 16.5498
90; 90.116; 90
2663.1Kang, Guowei; Romo, Daniel
Photocatalyzed, β-Selective Hydrocarboxylation of α,β-Unsaturated Esters with CO2 under Flow for β-Lactone Synthesis
ACS Catalysis, 2021, 1309-1315
4518475 CIFC32 H52 O4P 1 21 18.579; 9.584; 36.054
90; 94.669; 90
2954.6Kang, Guowei; Romo, Daniel
Photocatalyzed, β-Selective Hydrocarboxylation of α,β-Unsaturated Esters with CO2 under Flow for β-Lactone Synthesis
ACS Catalysis, 2021, 1309-1315
4518476 CIFC16 H20 O4P b c n9.8509; 22.6483; 12.9093
90; 90; 90
2880.14Kang, Guowei; Romo, Daniel
Photocatalyzed, β-Selective Hydrocarboxylation of α,β-Unsaturated Esters with CO2 under Flow for β-Lactone Synthesis
ACS Catalysis, 2021, 1309-1315
4518493 CIFC98 H140 N6 O12 P2 Pd2 S2P 21 21 227.2621; 33.0868; 13.1605
90; 90; 90
11871Hang, Chao; Ramirez, Antonio; Chan, Collin; Hsiao, Yi; DelMonte, Albert J.; Simmons, Eric M.
Mechanistic Studies of a Pd-Catalyzed Direct Arylation En Route to Beclabuvir: Dual Role of a Tetramethylammonium Cation and an Unusual Turnover-Limiting Step
ACS Catalysis, 2021, 2460-2472
4518501 CIFC24 H46 B F4 Ir O P2P b c a17.1482; 16.0706; 21.2524
90; 90; 90
5856.8Shada, Arun Dixith Reddy; Miller, Alexander J. M.; Emge, Thomas J.; Goldman, Alan S.
Catalytic Dehydrogenation of Alkanes by PCP‒Pincer Iridium Complexes Using Proton and Electron Acceptors
ACS Catalysis, 2021, 3009-3016
4518502 CIFC22 H22 F3 N3 O3 SP 1 21/c 110.2063; 10.6518; 20.6939
90; 102.966; 90
2192.4Kim, Yeong Bum; Won, Joonghee; Lee, Jeonghyo; Kim, Junho; Zhou, Bingwei; Park, Jung-Woo; Baik, Mu-Hyun; Chang, Sukbok
Ni-Catalyzed Intermolecular C(sp3)‒H Amidation Tuned by Bidentate Directing Groups
ACS Catalysis, 2021, 3067-3072
4518507 CIFC30 H36 B2 F2 O4C 1 2/c 118.1379; 10.3208; 14.2997
90; 99.566; 90
2639.65Willcox, Dominic R.; Nichol, Gary S.; Thomas, Stephen P.
Borane-Catalyzed C(sp3)‒F Bond Arylation and Esterification Enabled by Transborylation
ACS Catalysis, 2021, 3190-3197
4518508 CIFC23 H33 B2 F O2C 1 c 110.318; 29.4659; 6.7167
90; 93.252; 90
2038.78Willcox, Dominic R.; Nichol, Gary S.; Thomas, Stephen P.
Borane-Catalyzed C(sp3)‒F Bond Arylation and Esterification Enabled by Transborylation
ACS Catalysis, 2021, 3190-3197
4518509 CIFC31 H44 Hf N2P 1 21/n 111.0122; 14.9674; 17.6793
90; 97.4462; 90
2889.4Zhang, Jialong; Mason, Alexander H.; Motta, Alessandro; Cesar, Laryssa G.; Kratish, Yosi; Lohr, Tracy L.; Miller, Jeffrey T.; Gao, Yanshan; Marks, Tobin J.
Surface vs Homogeneous Organo-Hafnium Catalyst Ion-Pairing and Ligand Effects on Ethylene Homo- and Copolymerizations
ACS Catalysis, 2021, 3239-3250
4518510 CIFC30 H42 Hf N2P 1 2/c 117.2803; 9.5964; 33.993
90; 90.416; 90
5636.9Zhang, Jialong; Mason, Alexander H.; Motta, Alessandro; Cesar, Laryssa G.; Kratish, Yosi; Lohr, Tracy L.; Miller, Jeffrey T.; Gao, Yanshan; Marks, Tobin J.
Surface vs Homogeneous Organo-Hafnium Catalyst Ion-Pairing and Ligand Effects on Ethylene Homo- and Copolymerizations
ACS Catalysis, 2021, 3239-3250
4518511 CIFC33 H42 F6 Fe N10 O7 S2C 1 2/c 124.072; 14.465; 15.452
90; 125.76; 90
4366Massie, Allyssa A.; Schremmer, Claudia; Rüter, Isabelle; Dechert, Sebastian; Siewert, Inke; Meyer, Franc
Selective Electrocatalytic CO2 Reduction to CO by an NHC-Based Organometallic Heme Analogue
ACS Catalysis, 2021, 3257-3267
4518512 CIFC31 H38 Cl2 F6 Fe N8 O8 S2P 1 21/n 113.5494; 14.2148; 23.1891
90; 90.538; 90
4466.1Massie, Allyssa A.; Schremmer, Claudia; Rüter, Isabelle; Dechert, Sebastian; Siewert, Inke; Meyer, Franc
Selective Electrocatalytic CO2 Reduction to CO by an NHC-Based Organometallic Heme Analogue
ACS Catalysis, 2021, 3257-3267
4518514 CIFC26 H45 B11 Cl11 F N2 Si TiP 1 21/c 111.657; 32.375; 12.033
90; 97.304; 90
4504.3Gunther, S. Olivia; Lai, Qingheng; Senecal, Todd; Huacuja, Rafael; Bremer, Sean; Pearson, David M.; DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V.; Klosin, Jerzy
Highly Efficient Carborane-Based Activators for Molecular Olefin Polymerization Catalysts
ACS Catalysis, 2021, 11, 3335-3342
4518515 CIFC40 H69 B11 Cl11 F N2 Si2 Ti2P -112.1095; 15.0642; 17.4165
83.88; 75.362; 85.783
3052.9Gunther, S. Olivia; Lai, Qingheng; Senecal, Todd; Huacuja, Rafael; Bremer, Sean; Pearson, David M.; DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V.; Klosin, Jerzy
Highly Efficient Carborane-Based Activators for Molecular Olefin Polymerization Catalysts
ACS Catalysis, 2021, 11, 3335-3342
4518521 CIFC21.5 H21 Cr0.5 N2 O2.5 P0.5P 1 21/n 18.2209; 31.649; 15.344
90; 102.728; 90
3894.2Hong, Young Hyun; Jang, Yuri; Ezhov, Roman; Seo, Mi Sook; Lee, Yong-Min; Pandey, Bhawana; Hong, Seungwoo; Pushkar, Yulia; Fukuzumi, Shunichi; Nam, Wonwoo
A Highly Reactive Chromium(V)‒Oxo TAML Cation Radical Complex in Electron Transfer and Oxygen Atom Transfer Reactions
ACS Catalysis, 2021, 2889-2901
4518522 CIFC20 H19 N O3P b c a18.5023; 7.8493; 22.7256
90; 90; 90
3300.4Gao, Can; Wang, Xunhua; Liu, Jitian; Li, Xiaoxun
Highly Diastereo- and Enantioselective Synthesis of Tetrahydrobenzo[b]azocines via Palladium-Catalyzed [4 + 4] Cycloaddition
ACS Catalysis, 2021, 2684-2690
4518523 CIFC40 H34 Br8 N2 O6C 1 2 128.1259; 7.5367; 20.6213
90; 104.756; 90
4227.1Gao, Can; Wang, Xunhua; Liu, Jitian; Li, Xiaoxun
Highly Diastereo- and Enantioselective Synthesis of Tetrahydrobenzo[b]azocines via Palladium-Catalyzed [4 + 4] Cycloaddition
ACS Catalysis, 2021, 2684-2690
4518524 CIFC15 H22 N2 O2 SC 1 2/c 128.027; 10.1457; 12.2742
90; 114.564; 90
3174.3Coin, Guillaume; Dubourdeaux, Patrick; Avenier, Frédéric; Patra, Ranjan; Castro, Ludovic; Lebrun, Colette; Bayle, Pierre-Alain; Pécaut, Jacques; Blondin, Geneviève; Maldivi, Pascale; Latour, Jean-Marc
Experiments and DFT Computations Combine to Decipher Fe-Catalyzed Amidine Synthesis through Nitrene Transfer and Nitrile Insertion
ACS Catalysis, 2021, 11, 2253-2266
4518525 CIFC22 H27 N O2P 1 21 110.30461; 7.07541; 13.213
90; 92.0022; 90
962.76Wu, Liexin; Xu, Huiying; Gao, Hui; Li, Liping; Chen, Weijie; Zhou, Zhi; Yi, Wei
Chiral Allylic Amine Synthesis Enabled by the Enantioselective CpXRh(III)-Catalyzed Carboaminations of 1,3-Dienes
ACS Catalysis, 2021, 11, 2279-2287
4518526 CIFC55 H76 B Br Ca N6 OP 1 21/n 112.9092; 22.3669; 18.0189
90; 101.288; 90
5102.1Zhao, Lanxiao; Shi, Xianghui; Cheng, Jianhua
Calcium-Catalyzed Dehydrogenative Silylation of Aromatic Ethers with Hydrosilane
ACS Catalysis, 2021, 11, 2041-2046
4518527 CIFC56 H79 B Ca N6 OP 1 21/n 113.0462; 21.9662; 17.99
90; 104.112; 90
4999.9Zhao, Lanxiao; Shi, Xianghui; Cheng, Jianhua
Calcium-Catalyzed Dehydrogenative Silylation of Aromatic Ethers with Hydrosilane
ACS Catalysis, 2021, 11, 2041-2046
4518533 CIFC15 H22 N2 OP 1 21/c 112.771; 12.1463; 9.6862
90; 92.048; 90
1501.57Yi, Ming-Jun; Zhang, Huan-Xin; Xiao, Teng-Fei; Zhang, Ji-Hua; Feng, Zhi-Tao; Wei, Li-Pu; Xu, Guo-Qiang; Xu, Peng-Fei
Photoinduced Metal-Free α-C(sp3)‒H Carbamoylation of Saturated Aza-Heterocycles via Rationally Designed Organic Photocatalyst
ACS Catalysis, 2021, 11, 3466-3472
4518535 CIFC25 H47 Cl N O3 P SP 1 21/n 18.3926; 23.5709; 14.3271
90; 92.6796; 90
2831.1Hu, Rong-Bin; Lam, Ying-Pong; Ng, Wing-Hin; Wong, Chun-Yuen; Yeung, Ying-Yeung
Zwitterion-Induced Organic‒Metal Hybrid Catalysis in Aerobic Oxidation
ACS Catalysis, 2021, 11, 3498-3506
4518536 CIFC25 H30 O3 SiP 1 21 110.4612; 6.7009; 15.9349
90; 102.822; 90
1089.17Zhang, Liangliang; Oestreich, Martin
Diastereotopic Group-Selective Intramolecular Aldol Reactions Initiated by Enantioselective Conjugate Silylation: Diastereodivergence Controlled by the Silicon Nucleophile
ACS Catalysis, 2021, 11, 3516-3522
4518544 CIFC22 H24 Br N O3 SC 1 2/c 122.5321; 8.3857; 22.2758
90; 100.736; 90
4135.28Qi, Lin-Jun; Shi, Chong-Yang; Chen, Peng-Fei; Li, Long; Fang, Gang; Qian, Peng-Cheng; Deng, Chao; Zhou, Jin-Mei; Ye, Long-Wu
Gold-Catalyzed 1,1-Carboalkoxylation of Oxetane-Ynamides via Exocyclic Metal Carbenes: Divergent and Atom-Economical Synthesis of Tricyclic N-Heterocycles
ACS Catalysis, 2021, 11, 3679-3686
4518545 CIFC40 H40 Br2 N2 O6 S2P 21 21 218.3815; 16.1769; 28.5494
90; 90; 90
3870.92Qi, Lin-Jun; Shi, Chong-Yang; Chen, Peng-Fei; Li, Long; Fang, Gang; Qian, Peng-Cheng; Deng, Chao; Zhou, Jin-Mei; Ye, Long-Wu
Gold-Catalyzed 1,1-Carboalkoxylation of Oxetane-Ynamides via Exocyclic Metal Carbenes: Divergent and Atom-Economical Synthesis of Tricyclic N-Heterocycles
ACS Catalysis, 2021, 11, 3679-3686
4518546 CIFC17 H13 N OC 2 e b6.923; 21.697; 15.616
90; 90; 90
2345.7Qi, Lin-Jun; Shi, Chong-Yang; Chen, Peng-Fei; Li, Long; Fang, Gang; Qian, Peng-Cheng; Deng, Chao; Zhou, Jin-Mei; Ye, Long-Wu
Gold-Catalyzed 1,1-Carboalkoxylation of Oxetane-Ynamides via Exocyclic Metal Carbenes: Divergent and Atom-Economical Synthesis of Tricyclic N-Heterocycles
ACS Catalysis, 2021, 11, 3679-3686
4518548 CIFC32 H33 N O5 S2P 21 21 219.0104; 16.6022; 18.9828
90; 90; 90
2839.7Zhang, Yuanyuan; Liang, Yaoyu; Zhao, Xiaodan
Chiral Selenide-Catalyzed, Highly Regio- and Enantioselective Intermolecular Thioarylation of Alkenes with Phenols
ACS Catalysis, 2021, 11, 3755-3761
4518561 CIFC38 H61 Al N2 O3P 1 21 110.5311; 12.1035; 14.8941
90; 100.65; 90
1865.75Gesslbauer, Sami; Hutchinson, George; White, Andrew J. P.; Burés, Jordi; Romain, Charles
Chirality-Induced Catalyst Aggregation: Insights into Catalyst Speciation and Activity Using Chiral Aluminum Catalysts in Cyclic Ester Ring-Opening Polymerization
ACS Catalysis, 2021, 11, 4084-4093
4518562 CIFC87 H124 Al2 N4 O6P 1 21 114.2817; 19.6139; 16.3139
90; 112.131; 90
4233.16Gesslbauer, Sami; Hutchinson, George; White, Andrew J. P.; Burés, Jordi; Romain, Charles
Chirality-Induced Catalyst Aggregation: Insights into Catalyst Speciation and Activity Using Chiral Aluminum Catalysts in Cyclic Ester Ring-Opening Polymerization
ACS Catalysis, 2021, 11, 4084-4093
4518563 CIFC83.25 H120.5 Al2 Cl2.5 N4 O6P 1 21/n 114.7009; 19.8009; 15.5738
90; 112.532; 90
4187.3Gesslbauer, Sami; Hutchinson, George; White, Andrew J. P.; Burés, Jordi; Romain, Charles
Chirality-Induced Catalyst Aggregation: Insights into Catalyst Speciation and Activity Using Chiral Aluminum Catalysts in Cyclic Ester Ring-Opening Polymerization
ACS Catalysis, 2021, 11, 4084-4093
4518564 CIFC22 H30 Cl2 N3 Ni PP 1 21/c 111.7864; 12.0598; 16.8359
90; 105.394; 90
2307.2Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei
Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction
ACS Catalysis, 2021, 11, 4071-4076
4518565 CIFC25 H32 Cl0 N3 Ni O PP -18.853; 16.369; 18.452
105.791; 100.542; 105.669
2380.6Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei
Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction
ACS Catalysis, 2021, 11, 4071-4076
4518566 CIFC18 H25 Cl N3 Ni PP 1 21/c 116.1382; 8.1442; 16.0627
90; 118.179; 90
1860.9Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei
Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction
ACS Catalysis, 2021, 11, 4071-4076
4518567 CIFC21 H30 Cl2 N3 Ni O PP 1 21/n 114.2865; 11.363; 14.9046
90; 109.571; 90
2279.8Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei
Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction
ACS Catalysis, 2021, 11, 4071-4076
4518568 CIFC18 H26 Cl2 N3 Ni PP 1 21/c 112.1286; 12.4385; 13.4746
90; 95.4; 90
2023.8Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei
Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction
ACS Catalysis, 2021, 11, 4071-4076
4518571 CIFC27 H30 N4 O3P -15.836; 10.2615; 21.051
82.853; 85.165; 89.89
1246.4Gou, Xue-Ya; Li, Yuke; Luan, Yu-Yong; Shi, Wei-Yu; Wang, Cui-Tian; An, Yang; Zhang, Bo-Sheng; Liang, Yong-Min
Ruthenium-Catalyzed Radical Cyclization/meta-Selective C‒H Alkylation of Arenes via σ-Activation Strategy
ACS Catalysis, 2021, 11, 4263-4270
4518572 CIFC25 H27 N3 O3C 1 2/c 131.7124; 6.29804; 22.6491
90; 93.248; 90
4516.3Gou, Xue-Ya; Li, Yuke; Luan, Yu-Yong; Shi, Wei-Yu; Wang, Cui-Tian; An, Yang; Zhang, Bo-Sheng; Liang, Yong-Min
Ruthenium-Catalyzed Radical Cyclization/meta-Selective C‒H Alkylation of Arenes via σ-Activation Strategy
ACS Catalysis, 2021, 11, 4263-4270
4518573 CIFC25 H28 N2 O4P 1 21/n 16.407; 11.0997; 31.594
90; 91.726; 90
2245.8Gou, Xue-Ya; Li, Yuke; Luan, Yu-Yong; Shi, Wei-Yu; Wang, Cui-Tian; An, Yang; Zhang, Bo-Sheng; Liang, Yong-Min
Ruthenium-Catalyzed Radical Cyclization/meta-Selective C‒H Alkylation of Arenes via σ-Activation Strategy
ACS Catalysis, 2021, 11, 4263-4270
4518581 CIFC19 H18 F N O2 SP 1 21/n 18.7423; 16.0218; 11.8664
90; 103.672; 90
1615Zhang, Xiao-Yu; Wu, Xiao-Yun; Zhang, Bo; Wei, Yin; Shi, Min
Silyl Radical-Mediated Carbocyclization of Acrylamide-/Vinyl Sulfonamide-Attached Alkylidenecyclopropanes via Photoredox Catalysis with a Catalytic Amount of Silane Reagent
ACS Catalysis, 2021, 4372-4380
4518582 CIFC21 H21 N OP 41 21 27.4865; 7.4865; 59.274
90; 90; 90
3322.17Zhang, Xiao-Yu; Wu, Xiao-Yun; Zhang, Bo; Wei, Yin; Shi, Min
Silyl Radical-Mediated Carbocyclization of Acrylamide-/Vinyl Sulfonamide-Attached Alkylidenecyclopropanes via Photoredox Catalysis with a Catalytic Amount of Silane Reagent
ACS Catalysis, 2021, 4372-4380
4518587 CIFC102 H154 Fe4 N2 O40 Ti8P 1 21/n 112.3397; 15.543; 34.356
90; 90.699; 90
6588.9Liu, Jing-Jing; Li, Ning; Sun, Jia-Wei; Liu, Jiang; Dong, Long-Zhang; Yao, Su-Juan; Zhang, Lei; Xin, Zhi-Feng; Shi, Jing-Wen; Wang, Jing-Xuan; Li, Shun-Li; Lan, Ya-Qian
Ferrocene-Functionalized Polyoxo-Titanium Cluster for CO2 Photoreduction
ACS Catalysis, 2021, 4510-4519
4518588 CIFC66 H116 Fe2 O32 S2 Ti6C 1 2/c 131.653; 14.083; 20.207
90; 94.632; 90
8978Liu, Jing-Jing; Li, Ning; Sun, Jia-Wei; Liu, Jiang; Dong, Long-Zhang; Yao, Su-Juan; Zhang, Lei; Xin, Zhi-Feng; Shi, Jing-Wen; Wang, Jing-Xuan; Li, Shun-Li; Lan, Ya-Qian
Ferrocene-Functionalized Polyoxo-Titanium Cluster for CO2 Photoreduction
ACS Catalysis, 2021, 4510-4519
4518597 CIFC24 H19 N3 Ni O2P -18.8213; 10.1609; 11.288
104.489; 103.879; 91.518
946.96Nohira, Itsuki; Chatani, Naoto
Nickel-Catalyzed Cross-Electrophile Coupling between C(sp2)‒F and C(sp2)‒Cl Bonds by the Reaction of ortho-Fluoro-Aromatic Amides with Aryl Chlorides
ACS Catalysis, 2021, 11, 4644-4649
4518598 CIFC16 H16 N2 O3P 21 21 216.961; 12.032; 16.96
90; 90; 90
1420.5Tathe, Akash G.; Urvashi,; Yadav, Amit K.; Chintawar, Chetan C.; Patil, Nitin T.
Gold-Catalyzed 1,2-Aminoarylation of Alkenes with External Amines
ACS Catalysis, 2021, 4576-4582
4518599 CIFC15 H14 N2 O2P 1 21/c 110.5656; 14.7742; 7.8958
90; 94.428; 90
1228.8Tathe, Akash G.; Urvashi,; Yadav, Amit K.; Chintawar, Chetan C.; Patil, Nitin T.
Gold-Catalyzed 1,2-Aminoarylation of Alkenes with External Amines
ACS Catalysis, 2021, 4576-4582
4518600 CIFC15 H14 N3 O2P 21 21 219.3825; 9.86; 13.868
90; 90; 90
1282.9Tathe, Akash G.; Urvashi,; Yadav, Amit K.; Chintawar, Chetan C.; Patil, Nitin T.
Gold-Catalyzed 1,2-Aminoarylation of Alkenes with External Amines
ACS Catalysis, 2021, 4576-4582
4518601 CIFC48 H70 N6 O2 TiP -111.006; 14.517; 16.17
67.282; 77.986; 89.059
2325Manßen, Manfred; Deng, Danfeng; Zheng, Cameron H. M.; DiPucchio, Rebecca C.; Chen, Dafa; Schafer, Laurel L.
Ureate Titanium Catalysts for Hydroaminoalkylation: Using Ligand Design to Increase Reactivity and Utility
ACS Catalysis, 2021, 4550-4560
4518602 CIFC44 H56 N6 OP 21 21 2111.3688; 15.8213; 22.0726
90; 90; 90
3970.2Hohlman, Robert M.; Newmister, Sean A.; Sanders, Jacob N.; Khatri, Yogan; Li, Shasha; Keramati, Nikki R.; Lowell, Andrew N.; Houk, K. N.; Sherman, David H.
Structural Diversification of Hapalindole and Fischerindole Natural Products via Cascade Biocatalysis
ACS Catalysis, 2021, 11, 4670-4681
4518611 CIFC18 H18 O4 SP 1 21 112.2212; 5.7554; 12.4922
90; 115.284; 90
794.5Liu, Yuexin; Jiao, Yang; Luo, Huajun; Huang, Nianyu; Lai, Mengnan; Zou, Kun; Yao, Hui
Catalyst-Controlled Regiodivergent Synthesis of 1- and 3-Thiosugars with High Stereoselectivity and Chemoselectivity
ACS Catalysis, 2021, 5287-5293
4518612 CIFC14 H15 Br O4 SP 1 21 112.4647; 5.1138; 23.6809
90; 101.514; 90
1479.09Liu, Yuexin; Jiao, Yang; Luo, Huajun; Huang, Nianyu; Lai, Mengnan; Zou, Kun; Yao, Hui
Catalyst-Controlled Regiodivergent Synthesis of 1- and 3-Thiosugars with High Stereoselectivity and Chemoselectivity
ACS Catalysis, 2021, 5287-5293
4518613 CIFC91 H45 B F48 N3 Ni OC 1 2/c 144.1023; 11.9357; 37.7488
90; 107.621; 90
18938.3Schiebel, Eva; Voccia, Maria; Falivene, Laura; Caporaso, Lucia; Mecking, Stefan
The Impact of Charge in a Ni(II) Polymerization Catalyst
ACS Catalysis, 2021, 5358-5368
4518614 CIFC59 H60 N2 Ni OP 1 21/n 112.2781; 22.6085; 18.0159
90; 106.372; 90
4798.2Schiebel, Eva; Voccia, Maria; Falivene, Laura; Caporaso, Lucia; Mecking, Stefan
The Impact of Charge in a Ni(II) Polymerization Catalyst
ACS Catalysis, 2021, 5358-5368
4518615 CIFC56 H31 F24 N2 Ni OP -113.606; 13.645; 17.543
88.69; 69.98; 65.61
2760.17Schiebel, Eva; Voccia, Maria; Falivene, Laura; Caporaso, Lucia; Mecking, Stefan
The Impact of Charge in a Ni(II) Polymerization Catalyst
ACS Catalysis, 2021, 5358-5368
4518616 CIFC91 H72 B F24 N2 Ni OP -116.7822; 18.2187; 18.2294
109.732; 101.015; 110.139
4618.2Schiebel, Eva; Voccia, Maria; Falivene, Laura; Caporaso, Lucia; Mecking, Stefan
The Impact of Charge in a Ni(II) Polymerization Catalyst
ACS Catalysis, 2021, 5358-5368
4518617 CIFC47 H68 Fe N6P -110.597; 11.754; 18.0639
76.8308; 89; 85.8243
2185Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian
Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes
ACS Catalysis, 2021, 5593-5600
4518618 CIFC40 H58 Cl2 Fe N4 OP 6126.4101; 26.4101; 10.6187
90; 90; 120
6414.2Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian
Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes
ACS Catalysis, 2021, 5593-5600
4518619 CIFC48 H62 Fe N4P 1 21/c 113.8259; 10.7782; 27.1348
90; 93.3137; 90
4036.82Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian
Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes
ACS Catalysis, 2021, 5593-5600
4518620 CIFC44.77 H51.54 Cl5.54 Fe N4P 1 21/n 113.71615; 20.52625; 17.35612
90; 110.785; 90
4568.43Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian
Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes
ACS Catalysis, 2021, 5593-5600
4518621 CIFC132 H204 Fe2 N12 Na2 O4P -114.3281; 15.1547; 15.3273
89.69; 83.236; 73.71
3171Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian
Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes
ACS Catalysis, 2021, 5593-5600
4518622 CIFC22 H22 N2 O3 PdP -19.1137; 10.222; 12.2985
70.989; 70.567; 71.163
991.53Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C.
DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis
ACS Catalysis, 2021, 5636-5646
4518623 CIFC44 H40 O5 P2 PdP -111.0488; 12.4133; 15.6581
99.623; 106.45; 105.981
1908.8Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C.
DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis
ACS Catalysis, 2021, 5636-5646
4518624 CIFC43.5 H35 Cl O4 P2 PdC 1 2/c 124.7326; 13.201; 23.4604
90; 111.779; 90
7113Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C.
DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis
ACS Catalysis, 2021, 5636-5646
4518625 CIFC38 H30 Fe O3 P2 PdC 1 c 126.339; 8.38; 17.649
90; 124.36; 90
3216Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C.
DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis
ACS Catalysis, 2021, 5636-5646
4518626 CIFC37 H50 O3 P PdP b c a18.282; 18.506; 20.018
90; 90; 90
6773Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C.
DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis
ACS Catalysis, 2021, 5636-5646
4518627 CIFC39.5 H46.5 Cl2 N4 O3.5 P PdP 1 21/n 112.848; 18.223; 16.659
90; 99.686; 90
3844.8Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C.
DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis
ACS Catalysis, 2021, 5636-5646
4518630 CIFC29 H26 O2 SiP 1 21/c 118.71438; 7.11566; 17.68547
90; 98.0756; 90
2331.73Zhu, Ming-Hui; Zhang, Xiao-Wen; Usman, Muhammad; Cong, Hengjiang; Liu, Wen-Bo
Palladium-Catalyzed (4 + 4) Annulation of Silacyclobutanes and 2-Iodobiarenes to Eight-Membered Silacycles via C‒H and C‒Si Bond Activation
ACS Catalysis, 2021, 5703-5708
4518664 CIFC60 H36 B Cl2 F24 PP 1 21/c 113.4192; 25.996; 18.4476
90; 101.882; 90
6297.48Gasperini, Danila; Neale, Samuel E.; Mahon, Mary F.; Macgregor, Stuart A.; Webster, Ruth L.
Phosphirenium Ions as Masked Phosphenium Catalysts: Mechanistic Evaluation and Application in Synthesis
ACS Catalysis, 2021, 5452-5462
4518665 CIFC29 H24 F3 O5 P SP 1 21/n 110.5938; 15.2705; 16.8486
90; 95.456; 90
2713.29Gasperini, Danila; Neale, Samuel E.; Mahon, Mary F.; Macgregor, Stuart A.; Webster, Ruth L.
Phosphirenium Ions as Masked Phosphenium Catalysts: Mechanistic Evaluation and Application in Synthesis
ACS Catalysis, 2021, 5452-5462
4518666 CIFC23 H29 N O2P -18.374; 10.255; 12.556
82.813; 70.937; 72.094
969.4Gockel, Samuel N.; Lee, SangHyun; Gay, Brittany L.; Hull, Kami L.
Oxidative Three-Component Carboamination of Vinylarenes with Alkylboronic Acids
ACS Catalysis, 2021, 5166-5171
4518667 CIFC22 H18 Br N OP 1 21/n 16.0333; 29.8691; 9.4917
90; 101.456; 90
1676.41Kong, Lingheng; Han, Xi; Chen, Haohua; Sun, Huaming; Lan, Yu; Li, Xingwei
Rhodium(II)-Catalyzed Regioselective Remote C‒H Alkylation of Protic Indoles
ACS Catalysis, 2021, 4929-4935
4518668 CIFC24 H16.5 Br N O1.25P 19.7726; 12.1642; 16.4042
94.461; 102.259; 105.75
1814.9Kong, Lingheng; Han, Xi; Chen, Haohua; Sun, Huaming; Lan, Yu; Li, Xingwei
Rhodium(II)-Catalyzed Regioselective Remote C‒H Alkylation of Protic Indoles
ACS Catalysis, 2021, 4929-4935
4518669 CIFC21 H23 N3 SiP 1 21/c 112.2356; 11.8474; 13.7752
90; 109.204; 90
1885.74Khake, Shrikant M.; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto
Iridium(III)-Catalyzed Branch-Selective C‒H Alkenylation of Aniline Derivatives with Alkenes
ACS Catalysis, 2021, 5463-5471
4518670 CIFC19 H27 N3 SiP 1 21/c 18.4772; 23.1025; 9.866
90; 109.061; 90
1826.26Khake, Shrikant M.; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto
Iridium(III)-Catalyzed Branch-Selective C‒H Alkenylation of Aniline Derivatives with Alkenes
ACS Catalysis, 2021, 5463-5471
4518671 CIFC16 H21 N3 SiP -18.5057; 10.2435; 10.405
95.532; 92.916; 111.087
838.34Khake, Shrikant M.; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto
Iridium(III)-Catalyzed Branch-Selective C‒H Alkenylation of Aniline Derivatives with Alkenes
ACS Catalysis, 2021, 5463-5471
4518672 CIFC21 H25 Cl Ir N3P -111.1967; 22.1378; 24.3143
76.519; 88.79; 86.768
5851.2Khake, Shrikant M.; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto
Iridium(III)-Catalyzed Branch-Selective C‒H Alkenylation of Aniline Derivatives with Alkenes
ACS Catalysis, 2021, 5463-5471
4518673 CIFC22 H24 N4 O14 P2 RuP 1 21/n 19.8814; 18.093; 15.1203
90; 105.261; 90
2607.9Vereshchuk, Nataliia; Holub, Jan; Gil-Sepulcre, Marcos; Benet-Buchholz, Jordi; Llobet, Antoni
Fate of the Molecular Ru‒Phosphonate Water Oxidation Catalyst under Turnover Conditions
ACS Catalysis, 2021, 5240-5247
4518674 CIFC26 H31 N4 O7 P RuP 1 21/n 111.5083; 8.8372; 27.547
90; 101.328; 90
2747Vereshchuk, Nataliia; Holub, Jan; Gil-Sepulcre, Marcos; Benet-Buchholz, Jordi; Llobet, Antoni
Fate of the Molecular Ru‒Phosphonate Water Oxidation Catalyst under Turnover Conditions
ACS Catalysis, 2021, 5240-5247
4518675 CIFC26 H29 N OP -113.737; 14.478; 22.319
79.86; 77.01; 76.01
4162.1Yin, Ge; Li, Yue; Wang, Rong-Hua; Li, Jiang-Fei; Xu, Xue-Tao; Luan, Yu-Xin; Ye, Mengchun
Ligand-Controlled Ni(0)‒Al(III) Bimetal-Catalyzed C3‒H Alkenylation of 2-Pyridones by Reversing Conventional Selectivity
ACS Catalysis, 2021, 11, 4606-4612
4518676 CIFC22 H28 F3 N O4 SiP 21 21 218.38863; 11.45356; 24.7725
90; 90; 90
2380.13Dong, Kuiyong; Zheng, Haifeng; Su, Yongliang; Humeidi, Ahmad; Arman, Hadi; Xu, Xinfang; Doyle, Michael P.
Catalyst-Directed Divergent Catalytic Approaches to Expand Structural and Functional Scaffold Diversity via Metallo-Enolcarbene Intermediates
ACS Catalysis, 2021, 11, 4712-4721
4518677 CIFC26 H38 Br N O4 SiP 21 21 2111.3628; 14.9417; 32.8659
90; 90; 90
5579.96Dong, Kuiyong; Zheng, Haifeng; Su, Yongliang; Humeidi, Ahmad; Arman, Hadi; Xu, Xinfang; Doyle, Michael P.
Catalyst-Directed Divergent Catalytic Approaches to Expand Structural and Functional Scaffold Diversity via Metallo-Enolcarbene Intermediates
ACS Catalysis, 2021, 11, 4712-4721
4518678 CIFC22 H23 Cl F NP 1 21/n 114.5798; 9.6574; 15.0886
90; 115.724; 90
1913.97Taeufer, Tobias; Hauptmann, Richy; El-Hage, Firas; Mayer, Thea S.; Jiao, Haijun; Rabeah, Jabor; Pospech, Jola
Pyrimidopteridine-Catalyzed Hydroamination of Stilbenes with Primary Amines: A Dual Photoredox and Hydrogen Atom Transfer Catalyst
ACS Catalysis, 2021, 11, 4862-4869
4518679 CIFC22 H24 Cl NP 21 21 216.4598; 13.9948; 21.6147
90; 90; 90
1954.05Taeufer, Tobias; Hauptmann, Richy; El-Hage, Firas; Mayer, Thea S.; Jiao, Haijun; Rabeah, Jabor; Pospech, Jola
Pyrimidopteridine-Catalyzed Hydroamination of Stilbenes with Primary Amines: A Dual Photoredox and Hydrogen Atom Transfer Catalyst
ACS Catalysis, 2021, 11, 4862-4869
4518680 CIFC21 H20 Cl NP 1 21/c 119.1956; 5.6975; 16.7242
90; 114.44; 90
1665.19Taeufer, Tobias; Hauptmann, Richy; El-Hage, Firas; Mayer, Thea S.; Jiao, Haijun; Rabeah, Jabor; Pospech, Jola
Pyrimidopteridine-Catalyzed Hydroamination of Stilbenes with Primary Amines: A Dual Photoredox and Hydrogen Atom Transfer Catalyst
ACS Catalysis, 2021, 11, 4862-4869
4518688 CIFC17 H23 Br O2P 21 21 215.9557; 10.9058; 24.74
90; 90; 90
1606.9Ishihara, Hideyuki; Huang, Jianhao; Mochizuki, Takuya; Hatano, Manabu; Ishihara, Kazuaki
Enantio- and Diastereoselective Carbonyl-Ene Cyclization‒Acetalization Tandem Reaction Catalyzed by Tris(pentafluorophenyl)borane-Assisted Chiral Phosphoric Acids
ACS Catalysis, 2021, 11, 6121-6127
4518697 CIFC20 H22 F3 N3 O4P 21 21 219.14307; 11.5592; 19.6135
90; 90; 90
2072.88Guo, Fangfang; Chen, Jiean; Huang, Yong
A Bifunctional N-Heterocyclic Carbene as a Noncovalent Organocatalyst for Enantioselective Aza-Michael Addition Reactions
ACS Catalysis, 2021, 11, 6316-6324
4518698 CIFC24 H25 Cl F6 N5 O0.5 SP 1 21 117.3627; 7.45954; 20.2256
90; 92.932; 90
2616.15Guo, Fangfang; Chen, Jiean; Huang, Yong
A Bifunctional N-Heterocyclic Carbene as a Noncovalent Organocatalyst for Enantioselective Aza-Michael Addition Reactions
ACS Catalysis, 2021, 11, 6316-6324
4518710 CIFC17 H21 N O SP 21 21 216.7593; 11.1929; 20.8815
90; 90; 90
1579.81Simm, Peter E.; Sekar, Prakash; Richardson, Jeffery; Davies, Paul W.
Gold(I)-Catalyzed Synthesis of 3-Sulfenyl Pyrroles and Indoles by a Regioselective Annulation of Alkynyl Thioethers
ACS Catalysis, 2021, 6357-6362
4518711 CIFC25 H21 N O2C 1 c 119.2387; 12.2869; 10.5907
90; 130.407; 90
1906.3Simm, Peter E.; Sekar, Prakash; Richardson, Jeffery; Davies, Paul W.
Gold(I)-Catalyzed Synthesis of 3-Sulfenyl Pyrroles and Indoles by a Regioselective Annulation of Alkynyl Thioethers
ACS Catalysis, 2021, 6357-6362
4518725 CIFC38 H39 B2 Co F8 N2 P3C 1 c 124.1736; 10.243; 18.8716
90; 121.705; 90
3975.5Heins, Spencer P.; Schneider, Patrick E.; Speelman, Amy L.; Hammes-Schiffer, Sharon; Appel, Aaron M.
Electrocatalytic Oxidation of Alcohol with Cobalt Triphosphine Complexes
ACS Catalysis, 2021, 6384-6389
4518726 CIFC38 H39 B Co F4 N2 P3P 1 21/c 110.8813; 21.4; 15.7081
90; 95.165; 90
3642.9Heins, Spencer P.; Schneider, Patrick E.; Speelman, Amy L.; Hammes-Schiffer, Sharon; Appel, Aaron M.
Electrocatalytic Oxidation of Alcohol with Cobalt Triphosphine Complexes
ACS Catalysis, 2021, 6384-6389
4518731 CIFC26 H20 O3P 1 21/c 119.1548; 14.4591; 21.2542
90; 104.153; 90
5707.9Hu, Chao; Farshadfar, Kaveh; Dietl, Martin C.; Cervantes-Reyes, Alejandro; Wang, Tao; Adak, Tapas; Rudolph, Matthias; Rominger, Frank; Li, Jun; Ariafard, Alireza; Hashmi, A. Stephen K.
Gold-Catalyzed [5,5]-Rearrangement
ACS Catalysis, 2021, 6510-6518
4518732 CIFC25 H22 B F9 O4P 1 21/c 118.977; 11.6497; 12.004
90; 97.393; 90
2631.7Gatlik, Beata; Chaładaj, Wojciech
Pd-Catalyzed Perfluoroalkylative Aryloxycarbonylation of Alkynes with Formates as CO Surrogates
ACS Catalysis, 2021, 6547-6559
4518737 CIFC27 H33 Cl3 N O2 RhP -18.6935; 11.1078; 15.4392
103.343; 102.776; 103.769
1347.51Jin, Seongho; Kim, Jinwoo; Kim, Dongwook; Park, Jung-Woo; Chang, Sukbok
Electrolytic C‒H Oxygenation via Oxidatively Induced Reductive Elimination in Rh Catalysis
ACS Catalysis, 2021, 6590-6595
4518738 CIFC25 H29 Cl2 I N2 O2P 1 21/c 116.666; 10.1915; 16.848
90; 115.579; 90
2581.2Mi, Ruijie; Zhang, Xuepeng; Wang, Jinlei; Chen, Haohua; Lan, Yu; Wang, Fen; Li, Xingwei
Rhodium-Catalyzed Regio-, Diastereo-, and Enantioselective Three-Component Carboamination of Dienes via C‒H Activation
ACS Catalysis, 2021, 6692-6697
4518739 CIFC52 H78 B2 N2 O6 P2P 1 21 17.8347; 33.8529; 10.5604
90; 111.636; 90
2603.57Kubota, Koji; Miura, Daiyo; Takeuchi, Takumi; Osaki, Shun; Ito, Hajime
Synthesis of Chiral α-Amino Tertiary Boronates via the Catalytic Enantioselective Nucleophilic Borylation of Dialkyl Ketimines
ACS Catalysis, 2021, 6733-6740
4518756 CIFC14 H17 N O4P 1 21 110.2799; 5.2046; 12.4362
90; 91.289; 90
665.2Ao, Yu-Fei; Hu, Hui-Juan; Zhao, Cheng-Xin; Chen, Peng; Huang, Tingting; Chen, Hui; Wang, Qi-Qiang; Wang, De-Xian; Wang, Mei-Xiang
Reversal and Amplification of the Enantioselectivity of Biocatalytic Desymmetrization toward Meso Heterocyclic Dicarboxamides Enabled by Rational Engineering of Amidase
ACS Catalysis, 2021, 6900-6907
4518757 CIFC28 H34 N2 O8P 1 21 17.999; 14.9431; 11.0324
90; 95.829; 90
1311.88Ao, Yu-Fei; Hu, Hui-Juan; Zhao, Cheng-Xin; Chen, Peng; Huang, Tingting; Chen, Hui; Wang, Qi-Qiang; Wang, De-Xian; Wang, Mei-Xiang
Reversal and Amplification of the Enantioselectivity of Biocatalytic Desymmetrization toward Meso Heterocyclic Dicarboxamides Enabled by Rational Engineering of Amidase
ACS Catalysis, 2021, 6900-6907
4518762 CIFC18 H46 B Mn O2 P4P 1 21/c 19.1864; 20.8702; 13.5759
90; 101.606; 90
2549.58Britton, Luke; Skrodzki, Maciej; Nichol, Gary S.; Dominey, Andrew P.; Pawluć, Piotr; Docherty, Jamie H.; Thomas, Stephen P.
Manganese-Catalyzed C(sp2)‒H Borylation of Furan and Thiophene Derivatives
ACS Catalysis, 2021, 6857-6864

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