Crystallography Open Database
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Searching journal of publication like 'ACS catalysis' volume of publication is 8
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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4514298 | CIF | C34.67 H38.67 Cl0.67 N1.33 Ni0.67 P0.67 | P 1 21/n 1 | 13.1807; 21.777; 15.5892 90; 97.999; 90 | 4431.1 | Nazari, S. Hadi; Bourdeau, Jefferson E.; Talley, Michael R.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Michaelis, David J. Nickel-Catalyzed Suzuki Cross Couplings with Unprotected Allylic Alcohols Enabled by Bidentate N-Heterocyclic Carbene (NHC)/Phosphine Ligands ACS Catalysis, 2017, 8, 86 |
4514299 | CIF | C18 H18 O2 S2 | C 1 2/c 1 | 18.468; 5.7696; 29.486 90; 91.375; 90 | 3140.9 | Lanzi, Matteo; Cañeque, Tatiana; Marchiò, Luciano; Maggi, Raimondo; Bigi, Franca; Malacria, Max; Maestri, Giovanni Alternative Routes to Tricyclic Cyclohexenes with Trinuclear Palladium Complexes ACS Catalysis, 2017, 8, 144 |
4514300 | CIF | C29 H29 N O3 S | C 1 2/c 1 | 19.9655; 9.2515; 27.268 90; 104.314; 90 | 4880.3 | Lanzi, Matteo; Cañeque, Tatiana; Marchiò, Luciano; Maggi, Raimondo; Bigi, Franca; Malacria, Max; Maestri, Giovanni Alternative Routes to Tricyclic Cyclohexenes with Trinuclear Palladium Complexes ACS Catalysis, 2017, 8, 144 |
4514301 | CIF | C121 H176 O12 P2 Sc2 | P 1 21/n 1 | 17.6216; 14.3906; 22.3619 90; 91.6518; 90 | 5668.3 | Xu, Pengfei; Xu, Xin Homoleptic Rare-Earth Aryloxide Based Lewis Pairs for Polymerization of Conjugated Polar Alkenes ACS Catalysis, 2017, 8, 198 |
4514302 | CIF | C60 H86 O5 P Sc | P 1 21/c 1 | 13.4046; 15.1609; 28.5176 90; 103.471; 90 | 5636.1 | Xu, Pengfei; Xu, Xin Homoleptic Rare-Earth Aryloxide Based Lewis Pairs for Polymerization of Conjugated Polar Alkenes ACS Catalysis, 2017, 8, 198 |
4514315 | CIF | C30 H28 N2 O2 S | P 1 | 9.528; 10.803; 12.452 94.682; 100.658; 98.889 | 1236.4 | Hatano, Manabu; Mochizuki, Takuya; Nishikawa, Keisuke; Ishihara, Kazuaki Enantioselective Aza-Friedel‒Crafts Reaction of Indoles with Ketimines Catalyzed by Chiral Potassium Binaphthyldisulfonates ACS Catalysis, 2017, 8, 349 |
4514316 | CIF | C60 H48 Ca O10 S2 | P 1 21 1 | 15.348; 11.244; 17.721 90; 102.716; 90 | 2983 | Hatano, Manabu; Mochizuki, Takuya; Nishikawa, Keisuke; Ishihara, Kazuaki Enantioselective Aza-Friedel‒Crafts Reaction of Indoles with Ketimines Catalyzed by Chiral Potassium Binaphthyldisulfonates ACS Catalysis, 2017, 8, 349 |
4514318 | CIF | C92 H76 Cl4 O10 Rh2 | P 21 21 21 | 15.5416; 22.2438; 23.488 90; 90; 90 | 8119.9 | Liao, Kuangbiao; Liu, Wenbin; Niemeyer, Zachary L.; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Sigman, Mathew S.; Davies, Huw M. L. Site-Selective Carbene-Induced C‒H Functionalization Catalyzed by Dirhodium Tetrakis(triarylcyclopropanecarboxylate) Complexes ACS Catalysis, 2017, 8, 678 |
4514319 | CIF | C124 H114 O11 Rh2 | P 1 21 1 | 11.764; 17.436; 26.079 90; 91.389; 90 | 5348 | Liao, Kuangbiao; Liu, Wenbin; Niemeyer, Zachary L.; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Sigman, Mathew S.; Davies, Huw M. L. Site-Selective Carbene-Induced C‒H Functionalization Catalyzed by Dirhodium Tetrakis(triarylcyclopropanecarboxylate) Complexes ACS Catalysis, 2017, 8, 678 |
4514320 | CIF | C18 H43.6 Ca I2 N6 O6.8 | P 1 21/c 1 | 12.5906; 22.4298; 11.671 90; 101.86; 90 | 3225.58 | Longwitz, Lars; Steinbauer, Johannes; Spannenberg, Anke; Werner, Thomas Calcium-Based Catalytic System for the Synthesis of Bio-Derived Cyclic Carbonates under Mild Conditions ACS Catalysis, 2017, 8, 665 |
4514321 | CIF | C18 H39 Ca I2 N3 O7 | P 1 21/n 1 | 10.6093; 7.3183; 18.0196 90; 96.6981; 90 | 1389.53 | Longwitz, Lars; Steinbauer, Johannes; Spannenberg, Anke; Werner, Thomas Calcium-Based Catalytic System for the Synthesis of Bio-Derived Cyclic Carbonates under Mild Conditions ACS Catalysis, 2017, 8, 665 |
4514324 | CIF | C18 H17 F O2 | P 1 21 1 | 5.7745; 15.6042; 16.0104 90; 94.458; 90 | 1438.28 | Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M. Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex ACS Catalysis, 2017, 8, 790 |
4514325 | CIF | C40 H32 Cl2 F4 Ir2 | P 21 21 2 | 20.627; 10.6003; 14.9178 90; 90; 90 | 3261.8 | Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M. Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex ACS Catalysis, 2017, 8, 790 |
4514326 | CIF | C17 H13 Br F2 O2 | P 1 21 1 | 18.1462; 7.5224; 22.412 90; 92.604; 90 | 3056.1 | Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M. Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex ACS Catalysis, 2017, 8, 790 |
4514327 | CIF | C14 H18 F N O2 S | P 1 21 1 | 6.1963; 13.8442; 8.5199 90; 101.713; 90 | 715.64 | Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M. Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex ACS Catalysis, 2017, 8, 790 |
4514328 | CIF | C22 H27 F O2 | P 21 21 21 | 5.9526; 9.1966; 33.092 90; 90; 90 | 1811.6 | Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M. Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex ACS Catalysis, 2017, 8, 790 |
4514336 | CIF | C34 H33 Br N4 O2 | P -1 | 8.4938; 10.8107; 16.6719 104.927; 95.326; 99.344 | 1445 | Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis ACS Catalysis, 2018, 8, 886 |
4514337 | CIF | C21 H27 N3 O | P -1 | 10.1934; 10.7135; 17.2661 89.316; 85.141; 82.592 | 1863.12 | Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis ACS Catalysis, 2018, 8, 886 |
4514338 | CIF | C23 H21 N3 O3 | P 21 21 21 | 6.2748; 13.137; 24.081 90; 90; 90 | 1985 | Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis ACS Catalysis, 2018, 8, 886 |
4514339 | CIF | C17 H21 N3 O | P 1 21/n 1 | 10.0808; 9.7488; 15.9224 90; 108.079; 90 | 1487.53 | Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis ACS Catalysis, 2018, 8, 886 |
4514340 | CIF | C17 H19 N3 O2 | P 1 21/n 1 | 10.0431; 9.7828; 15.4733 90; 99.887; 90 | 1497.7 | Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis ACS Catalysis, 2018, 8, 886 |
4514341 | CIF | C25 H21 F N2 O7 Se | P 1 21 1 | 9.722; 6.1683; 19.747 90; 102.561; 90 | 1155.8 | See, Jie Yang; Yang, Hui; Zhao, Yu; Wong, Ming Wah; Ke, Zhihai; Yeung, Ying-Yeung Desymmetrizing Enantio- and Diastereoselective Selenoetherification through Supramolecular Catalysis ACS Catalysis, 2018, 8, 850 |
4514342 | CIF | C27 H39 O4.5 S0.5 Se | P 1 | 12.1582; 19.1469; 23.6521 80.268; 80.837; 84.148 | 5341.6 | See, Jie Yang; Yang, Hui; Zhao, Yu; Wong, Ming Wah; Ke, Zhihai; Yeung, Ying-Yeung Desymmetrizing Enantio- and Diastereoselective Selenoetherification through Supramolecular Catalysis ACS Catalysis, 2018, 8, 850 |
4514343 | CIF | C18 H18 F2 O4 Se | P 1 21 1 | 6.7417; 22.7327; 16.9277 90; 101.477; 90 | 2542.4 | See, Jie Yang; Yang, Hui; Zhao, Yu; Wong, Ming Wah; Ke, Zhihai; Yeung, Ying-Yeung Desymmetrizing Enantio- and Diastereoselective Selenoetherification through Supramolecular Catalysis ACS Catalysis, 2018, 8, 850 |
4514344 | CIF | C31 H50 B N2 P Ru | P -1 | 9.9745; 14.6282; 21.2096 103.406; 99.818; 90.008 | 2963.7 | Beguerie, Marion; Dinoi, Chiara; del Rosal, Iker; Faradji, Charly; Alcaraz, Gilles; Vendier, Laure; Sabo-Etienne, Sylviane Mechanistic Studies on the Catalytic Synthesis of BN Heterocycles (1H-2,1-Benzazaboroles) at Ruthenium ACS Catalysis, 2018, 8, 939 |
4514345 | CIF | C59 H96 Mn N O4 P2 | P 1 21/m 1 | 12.513; 17.266; 12.709 90; 107.182; 90 | 2623.2 | Kulkarni, Naveen V.; Brennessel, William W.; Jones, William D. Catalytic Upgrading of Ethanol to n-Butanol via Manganese-Mediated Guerbet Reaction ACS Catalysis, 2018, 8, 997 |
4514346 | CIF | C47.5 H72 Br Cl3 Mn N O2 P2 | P 1 21 1 | 16.074; 19.166; 16.17 90; 113.805; 90 | 4557.8 | Kulkarni, Naveen V.; Brennessel, William W.; Jones, William D. Catalytic Upgrading of Ethanol to n-Butanol via Manganese-Mediated Guerbet Reaction ACS Catalysis, 2018, 8, 997 |
4514350 | CIF | C46 H38 F12 Fe2 N10 O15 S4 | P -1 | 11.9405; 12.2853; 20.3054 103.183; 102.56; 98.477 | 2769.26 | Kottrup, Konstantin G.; D'Agostini, Silvia; van Langevelde, Phebe H.; Siegler, Maxime A.; Hetterscheid, Dennis G. H. Catalytic Activity of an Iron-Based Water Oxidation Catalyst: Substrate Effects of Graphitic Electrodes. ACS catalysis, 2018, 8, 1052-1061 |
4514351 | CIF | C20 H26 O6 | P 1 21 1 | 20.0688; 9.57471; 21.8114 90; 113.315; 90 | 3848.9 | Verrier, Charlie; Alandini, Nurtalya; Pezzetta, Cristofer; Moliterno, Mauro; Buzzetti, Luca; Hepburn, Hamish B.; Vega-Peñaloza, Alberto; Silvi, Mattia; Melchiorre, Paolo Direct Stereoselective Installation of Alkyl Fragments at the β-Carbon of Enals via Excited Iminium Ion Catalysis ACS Catalysis, 2018, 8, 1062 |
4514352 | CIF | C31 H27 Fe N3 O S4 | P -1 | 11.0218; 16.5594; 17.2264 76.1184; 89.3326; 82.0211 | 3021.9 | Das, Uttam K.; Higman, Carolyn S.; Gabidullin, Bulat; Hein, Jason E.; Baker, R. Tom Efficient and Selective Iron-Complex-Catalyzed Hydroboration of Aldehydes ACS Catalysis, 2018, 8, 1076 |
4514353 | CIF | C32 H32 Fe N2 O S4 | P -1 | 10.4477; 12.8949; 13.2739 64.316; 67.177; 79.099 | 1484.95 | Das, Uttam K.; Higman, Carolyn S.; Gabidullin, Bulat; Hein, Jason E.; Baker, R. Tom Efficient and Selective Iron-Complex-Catalyzed Hydroboration of Aldehydes ACS Catalysis, 2018, 8, 1076 |
4514354 | CIF | C33 H36 Fe N3 O3 P S4 | P n a 21 | 28.2857; 7.9962; 15.1492 90; 90; 90 | 3426.42 | Das, Uttam K.; Higman, Carolyn S.; Gabidullin, Bulat; Hein, Jason E.; Baker, R. Tom Efficient and Selective Iron-Complex-Catalyzed Hydroboration of Aldehydes ACS Catalysis, 2018, 8, 1076 |
4514356 | CIF | C18 H37 Cl4 Cr Li N2 O2 P | P 1 21/c 1 | 10.0101; 19.2905; 14.2617 90; 110.537; 90 | 2578.9 | Kwon, Doo-Hyun; Fuller, Jack T.; Kilgore, Uriah J.; Sydora, Orson L.; Bischof, Steven M.; Ess, Daniel H. Computational Transition-State Design Provides Experimentally Verified Cr(P,N) Catalysts for Control of Ethylene Trimerization and Tetramerization ACS Catalysis, 2018, 8, 1138 |
4514357 | CIF | C30 H27 Br N2 O | P b c a | 9.92477; 18.1707; 27.0531 90; 90; 90 | 4878.76 | Arokianathar, Jude N.; Frost, Aileen B.; Slawin, Alexandra M. Z.; Stead, Darren; Smith, Andrew D. Isothiourea-Catalyzed Enantioselective Addition of 4-Nitrophenyl Esters to Iminium Ions ACS Catalysis, 2018, 8, 1153 |
4514358 | CIF | C30 H27.67 Br N2 O1.33 | P -1 | 14.476; 17.657; 18.147 81.051; 77.873; 82.012 | 4452.5 | Arokianathar, Jude N.; Frost, Aileen B.; Slawin, Alexandra M. Z.; Stead, Darren; Smith, Andrew D. Isothiourea-Catalyzed Enantioselective Addition of 4-Nitrophenyl Esters to Iminium Ions ACS Catalysis, 2018, 8, 1153 |
4514359 | CIF | C94 H68 Br4 Cl4 N4 Ni2 | P 1 21/n 1 | 11.4354; 18.923; 18.566 90; 97.981; 90 | 3978.6 | Pei, Lixia; Liu, Fengshou; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing Synthesis of Polyethylenes with Controlled Branching with α-Diimine Nickel Catalysts and Revisiting Formation of Long-Chain Branching ACS Catalysis, 2018, 8, 1104 |
4514360 | CIF | C52 H44 Br2 Cl8 N2 Ni | I b a 2 | 24.752; 10.97; 22.093 90; 90; 90 | 5999 | Pei, Lixia; Liu, Fengshou; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing Synthesis of Polyethylenes with Controlled Branching with α-Diimine Nickel Catalysts and Revisiting Formation of Long-Chain Branching ACS Catalysis, 2018, 8, 1104 |
4514361 | CIF | C38 H36 Br2 N2 Ni | P 1 21/c 1 | 13.579; 14.443; 18.148 90; 109.503; 90 | 3355 | Pei, Lixia; Liu, Fengshou; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing Synthesis of Polyethylenes with Controlled Branching with α-Diimine Nickel Catalysts and Revisiting Formation of Long-Chain Branching ACS Catalysis, 2018, 8, 1104 |
4514363 | CIF | C23 H47 Fe N2 O3 P2 | P 1 21/c 1 | 16.336; 12.2113; 27.367 90; 91.146; 90 | 5458.2 | Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H. Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide ACS Catalysis, 2018, 8, 1338 |
4514364 | CIF | C19 H39 Fe N O2 P2 | P 1 21/c 1 | 19.086; 16.908; 15.109 90; 113.043; 90 | 4486.7 | Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H. Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide ACS Catalysis, 2018, 8, 1338 |
4514365 | CIF | C21 H40 F6 Fe Li N O8 P2 S2 | P 1 21/n 1 | 8.6289; 29.4056; 13.2362 90; 108.974; 90 | 3176 | Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H. Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide ACS Catalysis, 2018, 8, 1338 |
4514366 | CIF | C78 H94 Ag4 F9 N24 O22 S6 | P 21 3 | 35.2177; 35.2177; 35.2177 90; 90; 90 | 43680 | Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines ACS Catalysis, 2018, 8, 1384 |
4514367 | CIF | C150 H164 Ag8 F9 N53 O25 S12 | P 21 3 | 35.191; 35.191; 35.191 90; 90; 90 | 43580.8 | Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines ACS Catalysis, 2018, 8, 1384 |
4514368 | CIF | C120 H162 Ag8 F0 N60 O18 S13 | P a -3 | 35.835; 35.835; 35.835 90; 90; 90 | 46017 | Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines ACS Catalysis, 2018, 8, 1384 |
4514369 | CIF | C16 H15 Cl O2 | P 21 21 21 | 6.78; 10.4553; 18.9129 90; 90; 90 | 1340.7 | Gollapelli, Krishna Kumar; Donikela, Sangeetha; Manjula, Nemali; Chegondi, Rambabu Rhodium-Catalyzed Highly Regio- and Enantioselective Reductive Cyclization of Alkyne-Tethered Cyclohexadienones ACS Catalysis, 2018, 8, 1440 |
4514377 | CIF | C45 H38 Ni O P2 | P -1 | 9.418; 10.2752; 18.5554 94.536; 92.905; 96.975 | 1773.5 | Zhang, Xin; Tutkowski, Brandon; Oliver, Allen; Helquist, Paul; Wiest, Olaf Mechanistic Study of the Nickel-Catalyzed α,β-Coupling of Saturated Ketones ACS Catalysis, 2018, 8, 1740 |
4514380 | CIF | C21 H21 N O3 | P 1 21/c 1 | 13.6373; 15.8546; 8.1178 90; 104.499; 90 | 1699.28 | Kuppusamy, Ramajayam; Santhoshkumar, Rajagopal; Boobalan, Ramadoss; Wu, Hsin-Ru; Cheng, Chien-Hong Synthesis of 1,2-Dihydroquinolines by Co(III)-Catalyzed [3 + 3] Annulation of Anilides with Benzylallenes ACS Catalysis, 2018, 8, 1880 |
4514381 | CIF | C20 H20 Cl N O4 | P 21 21 21 | 9.027; 10.076; 20.28 90; 90; 90 | 1844.6 | Esteban, Francisco; Cieślik, Wioleta; Arpa, Enrique M.; Guerrero-Corella, Andrea; Díaz-Tendero, Sergio; Perles, Josefina; Fernández-Salas, José A; Fraile, Alberto; Alemán, José Intramolecular Hydrogen Bond Activation: Thiourea-Organocatalyzed Enantioselective 1,3-Dipolar Cycloaddition of Salicylaldehyde-Derived Azomethine Ylides with Nitroalkenes. ACS catalysis, 2018, 8, 1884-1890 |
4514382 | CIF | C20 H19 N O4 | P 1 21 1 | 8.8134; 9.1977; 10.6394 90; 94.6009; 90 | 859.68 | Esteban, Francisco; Cieślik, Wioleta; Arpa, Enrique M.; Guerrero-Corella, Andrea; Díaz-Tendero, Sergio; Perles, Josefina; Fernández-Salas, José A; Fraile, Alberto; Alemán, José Intramolecular Hydrogen Bond Activation: Thiourea-Organocatalyzed Enantioselective 1,3-Dipolar Cycloaddition of Salicylaldehyde-Derived Azomethine Ylides with Nitroalkenes. ACS catalysis, 2018, 8, 1884-1890 |
4514383 | CIF | C18 H17 Br N2 O5 | P 21 21 2 | 13.9676; 23.8405; 5.5166 90; 90; 90 | 1837 | Esteban, Francisco; Cieślik, Wioleta; Arpa, Enrique M.; Guerrero-Corella, Andrea; Díaz-Tendero, Sergio; Perles, Josefina; Fernández-Salas, José A; Fraile, Alberto; Alemán, José Intramolecular Hydrogen Bond Activation: Thiourea-Organocatalyzed Enantioselective 1,3-Dipolar Cycloaddition of Salicylaldehyde-Derived Azomethine Ylides with Nitroalkenes. ACS catalysis, 2018, 8, 1884-1890 |
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