Crystallography Open Database

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4514298 CIFC34.67 H38.67 Cl0.67 N1.33 Ni0.67 P0.67P 1 21/n 113.1807; 21.777; 15.5892
90; 97.999; 90
4431.1Nazari, 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 CIFC18 H18 O2 S2C 1 2/c 118.468; 5.7696; 29.486
90; 91.375; 90
3140.9Lanzi, 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 CIFC29 H29 N O3 SC 1 2/c 119.9655; 9.2515; 27.268
90; 104.314; 90
4880.3Lanzi, 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 CIFC121 H176 O12 P2 Sc2P 1 21/n 117.6216; 14.3906; 22.3619
90; 91.6518; 90
5668.3Xu, Pengfei; Xu, Xin
Homoleptic Rare-Earth Aryloxide Based Lewis Pairs for Polymerization of Conjugated Polar Alkenes
ACS Catalysis, 2017, 8, 198
4514302 CIFC60 H86 O5 P ScP 1 21/c 113.4046; 15.1609; 28.5176
90; 103.471; 90
5636.1Xu, Pengfei; Xu, Xin
Homoleptic Rare-Earth Aryloxide Based Lewis Pairs for Polymerization of Conjugated Polar Alkenes
ACS Catalysis, 2017, 8, 198
4514315 CIFC30 H28 N2 O2 SP 19.528; 10.803; 12.452
94.682; 100.658; 98.889
1236.4Hatano, 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 CIFC60 H48 Ca O10 S2P 1 21 115.348; 11.244; 17.721
90; 102.716; 90
2983Hatano, 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 CIFC92 H76 Cl4 O10 Rh2P 21 21 2115.5416; 22.2438; 23.488
90; 90; 90
8119.9Liao, 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 CIFC124 H114 O11 Rh2P 1 21 111.764; 17.436; 26.079
90; 91.389; 90
5348Liao, 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 CIFC18 H43.6 Ca I2 N6 O6.8P 1 21/c 112.5906; 22.4298; 11.671
90; 101.86; 90
3225.58Longwitz, 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 CIFC18 H39 Ca I2 N3 O7P 1 21/n 110.6093; 7.3183; 18.0196
90; 96.6981; 90
1389.53Longwitz, 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 CIFC18 H17 F O2P 1 21 15.7745; 15.6042; 16.0104
90; 94.458; 90
1438.28Mixdorf, 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 CIFC40 H32 Cl2 F4 Ir2P 21 21 220.627; 10.6003; 14.9178
90; 90; 90
3261.8Mixdorf, 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 CIFC17 H13 Br F2 O2P 1 21 118.1462; 7.5224; 22.412
90; 92.604; 90
3056.1Mixdorf, 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 CIFC14 H18 F N O2 SP 1 21 16.1963; 13.8442; 8.5199
90; 101.713; 90
715.64Mixdorf, 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 CIFC22 H27 F O2P 21 21 215.9526; 9.1966; 33.092
90; 90; 90
1811.6Mixdorf, 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 CIFC34 H33 Br N4 O2P -18.4938; 10.8107; 16.6719
104.927; 95.326; 99.344
1445Korvorapun, 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 CIFC21 H27 N3 OP -110.1934; 10.7135; 17.2661
89.316; 85.141; 82.592
1863.12Korvorapun, 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 CIFC23 H21 N3 O3P 21 21 216.2748; 13.137; 24.081
90; 90; 90
1985Korvorapun, 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 CIFC17 H21 N3 OP 1 21/n 110.0808; 9.7488; 15.9224
90; 108.079; 90
1487.53Korvorapun, 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 CIFC17 H19 N3 O2P 1 21/n 110.0431; 9.7828; 15.4733
90; 99.887; 90
1497.7Korvorapun, 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 CIFC25 H21 F N2 O7 SeP 1 21 19.722; 6.1683; 19.747
90; 102.561; 90
1155.8See, 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 CIFC27 H39 O4.5 S0.5 SeP 112.1582; 19.1469; 23.6521
80.268; 80.837; 84.148
5341.6See, 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 CIFC18 H18 F2 O4 SeP 1 21 16.7417; 22.7327; 16.9277
90; 101.477; 90
2542.4See, 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 CIFC31 H50 B N2 P RuP -19.9745; 14.6282; 21.2096
103.406; 99.818; 90.008
2963.7Beguerie, 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 CIFC59 H96 Mn N O4 P2P 1 21/m 112.513; 17.266; 12.709
90; 107.182; 90
2623.2Kulkarni, 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 CIFC47.5 H72 Br Cl3 Mn N O2 P2P 1 21 116.074; 19.166; 16.17
90; 113.805; 90
4557.8Kulkarni, 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 CIFC46 H38 F12 Fe2 N10 O15 S4P -111.9405; 12.2853; 20.3054
103.183; 102.56; 98.477
2769.26Kottrup, 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 CIFC20 H26 O6P 1 21 120.0688; 9.57471; 21.8114
90; 113.315; 90
3848.9Verrier, 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 CIFC31 H27 Fe N3 O S4P -111.0218; 16.5594; 17.2264
76.1184; 89.3326; 82.0211
3021.9Das, 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 CIFC32 H32 Fe N2 O S4P -110.4477; 12.8949; 13.2739
64.316; 67.177; 79.099
1484.95Das, 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 CIFC33 H36 Fe N3 O3 P S4P n a 2128.2857; 7.9962; 15.1492
90; 90; 90
3426.42Das, 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 CIFC18 H37 Cl4 Cr Li N2 O2 PP 1 21/c 110.0101; 19.2905; 14.2617
90; 110.537; 90
2578.9Kwon, 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 CIFC30 H27 Br N2 OP b c a9.92477; 18.1707; 27.0531
90; 90; 90
4878.76Arokianathar, 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 CIFC30 H27.67 Br N2 O1.33P -114.476; 17.657; 18.147
81.051; 77.873; 82.012
4452.5Arokianathar, 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 CIFC94 H68 Br4 Cl4 N4 Ni2P 1 21/n 111.4354; 18.923; 18.566
90; 97.981; 90
3978.6Pei, 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 CIFC52 H44 Br2 Cl8 N2 NiI b a 224.752; 10.97; 22.093
90; 90; 90
5999Pei, 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 CIFC38 H36 Br2 N2 NiP 1 21/c 113.579; 14.443; 18.148
90; 109.503; 90
3355Pei, 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 CIFC23 H47 Fe N2 O3 P2P 1 21/c 116.336; 12.2113; 27.367
90; 91.146; 90
5458.2Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H.
Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide
ACS Catalysis, 2018, 8, 1338
4514364 CIFC19 H39 Fe N O2 P2P 1 21/c 119.086; 16.908; 15.109
90; 113.043; 90
4486.7Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H.
Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide
ACS Catalysis, 2018, 8, 1338
4514365 CIFC21 H40 F6 Fe Li N O8 P2 S2P 1 21/n 18.6289; 29.4056; 13.2362
90; 108.974; 90
3176Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H.
Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide
ACS Catalysis, 2018, 8, 1338
4514366 CIFC78 H94 Ag4 F9 N24 O22 S6P 21 335.2177; 35.2177; 35.2177
90; 90; 90
43680Chang, 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 CIFC150 H164 Ag8 F9 N53 O25 S12P 21 335.191; 35.191; 35.191
90; 90; 90
43580.8Chang, 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 CIFC120 H162 Ag8 F0 N60 O18 S13P a -335.835; 35.835; 35.835
90; 90; 90
46017Chang, 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 CIFC16 H15 Cl O2P 21 21 216.78; 10.4553; 18.9129
90; 90; 90
1340.7Gollapelli, 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 CIFC45 H38 Ni O P2P -19.418; 10.2752; 18.5554
94.536; 92.905; 96.975
1773.5Zhang, 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 CIFC21 H21 N O3P 1 21/c 113.6373; 15.8546; 8.1178
90; 104.499; 90
1699.28Kuppusamy, 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 CIFC20 H20 Cl N O4P 21 21 219.027; 10.076; 20.28
90; 90; 90
1844.6Esteban, 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 CIFC20 H19 N O4P 1 21 18.8134; 9.1977; 10.6394
90; 94.6009; 90
859.68Esteban, 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 CIFC18 H17 Br N2 O5P 21 21 213.9676; 23.8405; 5.5166
90; 90; 90
1837Esteban, 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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