Crystallography Open Database

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4518975 CIFC60 H64 Cl2 N4 P2 Pd2P -19.487; 10.576; 15.286
96.2; 91.16; 116.58
1359.5Ence, Chloe C.; Martinez, Erin E.; Himes, Samuel R.; Nazari, S. Hadi; Moreno, Mariur Rodriguez; Matu, Manase F.; Larsen, Samantha G.; Gassaway, Kyle J.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J.
Experiment and Theory of Bimetallic Pd-Catalyzed α-Arylation and Annulation for Naphthalene Synthesis
ACS Catalysis, 2021, 11, 10394-10404
4518976 CIFC27 H28.5 B0 Cl3 N2 P Pd1.5C 1 2/c 138.6949; 17.3828; 19.7361
90; 99.654; 90
13087Ence, Chloe C.; Martinez, Erin E.; Himes, Samuel R.; Nazari, S. Hadi; Moreno, Mariur Rodriguez; Matu, Manase F.; Larsen, Samantha G.; Gassaway, Kyle J.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J.
Experiment and Theory of Bimetallic Pd-Catalyzed α-Arylation and Annulation for Naphthalene Synthesis
ACS Catalysis, 2021, 11, 10394-10404
4518977 CIFC62.46 H62.16 Ag0.16 F9.46 I N4 O10.62 P2 Pd2 S3.16P -114.761; 15.803; 17.805
111.215; 104.832; 96.15
3649.7Ence, Chloe C.; Martinez, Erin E.; Himes, Samuel R.; Nazari, S. Hadi; Moreno, Mariur Rodriguez; Matu, Manase F.; Larsen, Samantha G.; Gassaway, Kyle J.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J.
Experiment and Theory of Bimetallic Pd-Catalyzed α-Arylation and Annulation for Naphthalene Synthesis
ACS Catalysis, 2021, 11, 10394-10404
4518978 CIFC29 H31 Cl8 N2 P PdP -110.9294; 12.06; 14.6295
70.649; 71.301; 71.001
1670.63Ence, Chloe C.; Martinez, Erin E.; Himes, Samuel R.; Nazari, S. Hadi; Moreno, Mariur Rodriguez; Matu, Manase F.; Larsen, Samantha G.; Gassaway, Kyle J.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J.
Experiment and Theory of Bimetallic Pd-Catalyzed α-Arylation and Annulation for Naphthalene Synthesis
ACS Catalysis, 2021, 11, 10394-10404
4518979 CIFC20 H17 N O2P b c a11.5675; 15.2858; 18.2662
90; 90; 90
3229.8Yanagimoto, Aika; Uwabe, Yota; Wu, Qikun; Muto, Kei; Yamaguchi, Junichiro
Convergent Azaspirocyclization of Bromoarenes with N-Tosylhydrazones by a Palladium Catalyst
ACS Catalysis, 2021, 11, 10429-10435
4518980 CIFC32 H46 F Mn N2 O2 P2P 1 21/c 112.6518; 15.3285; 16.7761
90; 104.703; 90
3146.91Zhou, Quan-Quan; Zou, You-Quan; Kar, Sayan; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David
Manganese-Pincer-Catalyzed Nitrile Hydration, α-Deuteration, and α-Deuterated Amide Formation via Metal Ligand Cooperation
ACS Catalysis, 2021, 11, 10239-10245
4518981 CIFC32 H47 Mn N2 O2 P2P 1 21/n 112.92524; 16.7518; 16.3352
90; 101.96; 90
3460.14Zhou, Quan-Quan; Zou, You-Quan; Kar, Sayan; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David
Manganese-Pincer-Catalyzed Nitrile Hydration, α-Deuteration, and α-Deuterated Amide Formation via Metal Ligand Cooperation
ACS Catalysis, 2021, 11, 10239-10245
4518982 CIFC36 H53 Cl2 F3 Mn N2 O5 P2 SP 21 21 2112.1759; 13.3287; 25.6006
90; 90; 90
4154.69Zhou, Quan-Quan; Zou, You-Quan; Kar, Sayan; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David
Manganese-Pincer-Catalyzed Nitrile Hydration, α-Deuteration, and α-Deuterated Amide Formation via Metal Ligand Cooperation
ACS Catalysis, 2021, 11, 10239-10245
4518983 CIFC48 H40 N4 NiP 1 21/c 118.259; 17.663; 11.5624
90; 104.816; 90
3605Tortajada, Andreu; Menezes Correia, Jose Tiago; Serrano, Eloisa; Monleón, Alicia; Tampieri, Alberto; Day, Craig S.; Juliá-Hernández, Francisco; Martin, Ruben
Ligand-Controlled Regiodivergent Catalytic Amidation of Unactivated Secondary Alkyl Bromides
ACS Catalysis, 2021, 11, 10223-10227
4518984 CIFC32 H40 N4 NiP 1 21/n 117.2651; 8.0978; 20.5663
90; 102.933; 90
2802.4Tortajada, Andreu; Menezes Correia, Jose Tiago; Serrano, Eloisa; Monleón, Alicia; Tampieri, Alberto; Day, Craig S.; Juliá-Hernández, Francisco; Martin, Ruben
Ligand-Controlled Regiodivergent Catalytic Amidation of Unactivated Secondary Alkyl Bromides
ACS Catalysis, 2021, 11, 10223-10227
4518985 CIFC19 H42 Fe N2 O2 P2P 1 21/n 18.1133; 10.8783; 30.3409
90; 91.993; 90
2676.23Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q.
Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst
ACS Catalysis, 2021, 11, 10614-10624
4518986 CIFC25 H44 Fe N2 O2 P2P -18.1307; 13.0711; 13.4922
74.165; 79.061; 83.962
1352.27Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q.
Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst
ACS Catalysis, 2021, 11, 10614-10624
4518987 CIFC24 H48 Fe N2 O2 P2P -111.3294; 14.7816; 18.2519
110.842; 92.5202; 100.479
2789.23Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q.
Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst
ACS Catalysis, 2021, 11, 10614-10624
4518988 CIFC24 H45 Fe N O P2 SC m c e19.181; 12.4038; 22.3606
90; 90; 90
5320Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q.
Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst
ACS Catalysis, 2021, 11, 10614-10624
4518989 CIFC14 H11 Mo N3 O4P -18.4036; 8.9796; 11.167
79.028; 81.338; 63.09
735.69Li, Weikang; Huang, Ming; Liu, Jiahao; Huang, Yong-Liang; Lan, Xiao-Bing; Ye, Zongren; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng
Enhanced Hydride Donation Achieved Molybdenum Catalyzed Direct N-Alkylation of Anilines or Nitroarenes with Alcohols: From Computational Design to Experiment
ACS Catalysis, 2021, 11, 10377-10382
4518990 CIFC13 H12 Mo N4 O4P b c a13.3874; 8.8532; 25.1701
90; 90; 90
2983.19Li, Weikang; Huang, Ming; Liu, Jiahao; Huang, Yong-Liang; Lan, Xiao-Bing; Ye, Zongren; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng
Enhanced Hydride Donation Achieved Molybdenum Catalyzed Direct N-Alkylation of Anilines or Nitroarenes with Alcohols: From Computational Design to Experiment
ACS Catalysis, 2021, 11, 10377-10382
4518991 CIFC17 H20 Mo N4 O4P 1 21/n 17.898; 14.1645; 17.4273
90; 98.613; 90
1927.6Li, Weikang; Huang, Ming; Liu, Jiahao; Huang, Yong-Liang; Lan, Xiao-Bing; Ye, Zongren; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng
Enhanced Hydride Donation Achieved Molybdenum Catalyzed Direct N-Alkylation of Anilines or Nitroarenes with Alcohols: From Computational Design to Experiment
ACS Catalysis, 2021, 11, 10377-10382
4518992 CIFC20 H20 Br2 N2 NiP -19.0787; 9.6059; 11.9391
85.356; 80.16; 68.34
953.26Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko
Nickel-Catalyzed Annulations of ortho-Haloarylimines
ACS Catalysis, 2021, 11, 10351-10361
4518993 CIFC30 H22 Cl N O0.61 P PdP 1 21/c 116.5425; 9.582; 17.3269
90; 109.906; 90
2582.39Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko
Nickel-Catalyzed Annulations of ortho-Haloarylimines
ACS Catalysis, 2021, 11, 10351-10361
4518994 CIFC20 H20 Cl2 N2 NiP -18.9273; 9.4515; 11.9381
86.117; 80.324; 67.532
917.58Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko
Nickel-Catalyzed Annulations of ortho-Haloarylimines
ACS Catalysis, 2021, 11, 10351-10361
4518995 CIFC23 H24 Br N2 NiP -18.0773; 9.9718; 13.0748
105.435; 91.184; 91.402
1014.42Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko
Nickel-Catalyzed Annulations of ortho-Haloarylimines
ACS Catalysis, 2021, 11, 10351-10361
4518996 CIFC20 H20 Br2 N2 NiP 1 21/n 18.0595; 30.6742; 8.6369
90; 112.236; 90
1976.41Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko
Nickel-Catalyzed Annulations of ortho-Haloarylimines
ACS Catalysis, 2021, 11, 10351-10361
4518997 CIFC44 H60 I4 N2 Ni O2C 1 2/c 127.33; 9.978; 17.222
90; 90.618; 90
4696Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.
Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)
ACS Catalysis, 2021, 11, 10208-10222
4518998 CIFC50 H80 I2 N2 Ni2 O6.5P -112.7775; 14.7475; 15.2774
73.188; 86.253; 70.648
2598.6Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.
Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)
ACS Catalysis, 2021, 11, 10208-10222
4518999 CIFC64 H82 I2 N6 Ni2 O2P c c n14.7031; 17.8228; 23.8035
90; 90; 90
6237.7Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.
Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)
ACS Catalysis, 2021, 11, 10208-10222
4519000 CIFC34 H55 I N Ni O PP -111.0239; 11.4716; 13.6693
81.983; 78.073; 75.856
1632.8Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.
Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)
ACS Catalysis, 2021, 11, 10208-10222
4519001 CIFC36 H66 I Ni P2R -3 c :H29.259; 29.259; 23.165
90; 90; 120
17174Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.
Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)
ACS Catalysis, 2021, 11, 10208-10222
4519002 CIFC16 H24 I2 Ni2P 1 21/n 17.4617; 10.686; 10.939
90; 97.511; 90
864.7Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.
Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)
ACS Catalysis, 2021, 11, 10208-10222
4519050 CIFC27 H34 Al Cl4 N2 Na O8P -110.796; 11.9409; 14.6196
66.034; 84.098; 69.361
1609.86Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K.
Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations
ACS Catalysis, 2021, 12532-12542
4519051 CIFC51 H61 Al2 Cl3 K2 N4 O16P -112.4551; 15.8089; 16.1748
65.273; 82.478; 76.607
2812.1Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K.
Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations
ACS Catalysis, 2021, 12532-12542
4519052 CIFC51 H61 Al2 Cl3 N4 O16 Rb2P -112.546; 15.7343; 16.4513
64.372; 82.396; 76.638
2846.84Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K.
Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations
ACS Catalysis, 2021, 12532-12542
4519053 CIFC26 H31 Al Cl3 Cs N2 O8P 1 21/c 114.9518; 12.8871; 16.7675
90; 98.577; 90
3194.72Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K.
Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations
ACS Catalysis, 2021, 12532-12542
4519054 CIFC74 H76 Al2 K2 N4 O17P 1 21/n 115.0779; 30.1479; 17.5249
90; 114.699; 90
7237.5Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K.
Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations
ACS Catalysis, 2021, 12532-12542
4519055 CIFC28 H28 B2 F8 Se2P -19.699; 12.175; 14.816
90.131; 108.339; 103.651
1608.2He, Xinxin; Wang, Xinyan; Tse, Ying-Lung Steve; Ke, Zhihai; Yeung, Ying-Yeung
Bis-selenonium Cations as Bidentate Chalcogen Bond Donors in Catalysis
ACS Catalysis, 2021, 12632-12642
4519056 CIFC64 H64 Cl3 N3 O9P 18.852; 12.885; 13.9065
77.061; 87.047; 72.519
1474.3Yang, Wu-Lin; Wang, Yuan-Lin; Li, Wen; Gu, Bu-Ming; Wang, Si-Wen; Luo, Xiaoyan; Tian, Bo-Xue; Deng, Wei-Ping
Diastereo- and Enantioselective Synthesis of Eight-Membered Heterocycles via an Allylation/Ring Expansion Sequence Enabled by Multiple Catalysis
ACS Catalysis, 2021, 12557-12564
4519057 CIFC25 H26 Br2 N2 O4P 1 21 123; 8.9861; 25.676
90; 96.451; 90
5273.1Yang, Wu-Lin; Wang, Yuan-Lin; Li, Wen; Gu, Bu-Ming; Wang, Si-Wen; Luo, Xiaoyan; Tian, Bo-Xue; Deng, Wei-Ping
Diastereo- and Enantioselective Synthesis of Eight-Membered Heterocycles via an Allylation/Ring Expansion Sequence Enabled by Multiple Catalysis
ACS Catalysis, 2021, 12557-12564
4519058 CIFC26 H29 N O5P 21 21 217.2101; 12.4785; 26.7627
90; 90; 90
2407.87Yang, Wu-Lin; Wang, Yuan-Lin; Li, Wen; Gu, Bu-Ming; Wang, Si-Wen; Luo, Xiaoyan; Tian, Bo-Xue; Deng, Wei-Ping
Diastereo- and Enantioselective Synthesis of Eight-Membered Heterocycles via an Allylation/Ring Expansion Sequence Enabled by Multiple Catalysis
ACS Catalysis, 2021, 12557-12564
4519059 CIFC35 H56 Cl2 P2 PdP 1 21/c 111.7183; 14.6907; 21.1331
90; 100.812; 90
3573.5Zhu, Bin-Bin; Ye, Wen-Bo; He, Zhi-Tao; Zhang, Shu-Sheng; Feng, Chen-Guo; Lin, Guo-Qiang
Regioselective Tandem C–H Alkylation/Coupling Reaction of ortho-Iodophenylethylenes via C,C-Pallada(II)cycles
ACS Catalysis, 2021, 11, 12123-12132
4519060 CIFC20 H18 Br N O3P 21 21 218.1288; 13.7875; 16.7891
90; 90; 90
1881.65Xia, Jin-Tao; Li, Ling; Hu, Xiang-Ping
Copper-Catalyzed Decarboxylative Propargylic Alkylation of Enol Carbonates: Stereoselective Synthesis of Quaternary α-Amino Acids
ACS Catalysis, 2021, 11, 11843-11848
4519061 CIFC21 H26 Cl2 N3 RhP -17.1752; 8.6053; 18.3209
83.552; 89.982; 67.377
1036.44Khake, Shrikant M.; Chatani, Naoto
Rh(III)-Catalyzed [3 + 2] Annulation of Aniline Derivatives with Vinylsilanes via C–H Activation/Alkene Cyclization: Access to Highly Regioselective Indoline Derivatives
ACS Catalysis, 2021, 11, 12375-12383
4519062 CIFC31 H27 N3 SiP -19.4517; 10.586; 13.7057
109.919; 90.438; 106.701
1226.4Khake, Shrikant M.; Chatani, Naoto
Rh(III)-Catalyzed [3 + 2] Annulation of Aniline Derivatives with Vinylsilanes via C–H Activation/Alkene Cyclization: Access to Highly Regioselective Indoline Derivatives
ACS Catalysis, 2021, 11, 12375-12383
4519063 CIFC28 H26 N2 O2P 1 21 18.18927; 12.80314; 10.83576
90; 97.8768; 90
1125.39Herraiz, Ana G.; Cramer, Nicolai
Cobalt(III)-Catalyzed Diastereo- and Enantioselective Three-Component C–H Functionalization
ACS Catalysis, 2021, 11, 11938-11944
4519064 CIFC73 H71 Cl3 Co2 I4 O4P 21 21 2110.41118; 17.39267; 36.5868
90; 90; 90
6625.07Herraiz, Ana G.; Cramer, Nicolai
Cobalt(III)-Catalyzed Diastereo- and Enantioselective Three-Component C–H Functionalization
ACS Catalysis, 2021, 11, 11938-11944
4519065 CIFC44 H34 N4 O2P 1 21/c 115.6752; 13.0378; 17.6651
90; 110.456; 90
3382.6Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar
Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones
ACS Catalysis, 2021, 11, 12384-12393
4519066 CIFC21 H20 N2 OP 1 21/c 110.5707; 14.0848; 22.353
90; 94.915; 90
3315.8Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar
Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones
ACS Catalysis, 2021, 11, 12384-12393
4519067 CIFC18 H16 N2 OP -110.1004; 10.721; 13.77
89.487; 78.138; 80.183
1437.4Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar
Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones
ACS Catalysis, 2021, 11, 12384-12393
4519068 CIFC14 H18 N2 Ni O6C 1 2/c 115.2287; 12.7164; 8.0895
90; 92.882; 90
1564.58Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar
Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones
ACS Catalysis, 2021, 11, 12384-12393
4519069 CIFC36 H30 N4 O2P 1 21/c 116.7476; 9.0897; 18.6802
90; 96.74; 90
2824Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar
Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones
ACS Catalysis, 2021, 11, 12384-12393
4519070 CIFC31 H31 N O6.5 SP 21 21 2110.5571; 12.9667; 21.3679
90; 90; 90
2925.07Laina-Martín, Víctor; Humbrías-Martín, Jorge; Mas-Ballesté, Rubén; Fernández-Salas, Jose A.; Alemán, José
Enantioselective Inverse-Electron Demand Aza-Diels–Alder Reaction: ipso,α-Selectivity of Silyl Dienol Ethers
ACS Catalysis, 2021, 11, 12133-12145
4519091 CIFC32 H26 B Br Cl3 F4 N OP 1 21 110.76; 10.7865; 13.7635
90; 104.181; 90
1548.75Yoshida, Yasushi; Mino, Takashi; Sakamoto, Masami
Chiral Hypervalent Bromine(III) (Bromonium Salt): Hydrogen- and Halogen-Bonding Bifunctional Asymmetric Catalysis by Diaryl-λ3-bromanes
ACS Catalysis, 2021, 13028-13033
4519092 CIFC20 H13 Cl4 N O6C 1 2/c 127.73; 7.9612; 19.899
90; 115.585; 90
3962.2Leng, Lingying; Ready, Joseph M.
Hydroesterification and Difunctionalization of Olefins with N-Hydroxyphthalimide Esters
ACS Catalysis, 2021, 13714-13720
4519093 CIFC17 H16 Cl NP 1 21 18.611; 9.7776; 8.9599
90; 105.121; 90
728.26Pan, Yu-Liang; Shao, Ying-Bo; Wang, Jie; Liu, Zhen; Chen, Li; Li, Xin
Kinetic Resolution of 2H-Azirines by Asymmetric Allylation Reactions
ACS Catalysis, 2021, 13752-13760
4519094 CIFC14 H12 N O2 PP 21 21 217.4626; 8.0078; 21.165
90; 90; 90
1264.8Song, Shu-Yong; Li, Yinwu; Ke, Zhuofeng; Xu, Senmiao
Iridium-Catalyzed Enantioselective C–H Borylation of Diarylphosphinates
ACS Catalysis, 2021, 13445-13451
4519095 CIFC28 H26 O4P 1 21 111.6722; 8.213; 12.1784
90; 100.115; 90
1149.32Liu, Li-Xia; Huang, Wen-Jun; Xie, Qing-Xian; Wu, Bo; Yu, Chang-Bin; Zhou, Yong-Gui
Dynamic Kinetic Resolution of Flavonoids via Asymmetric Allylic Alkylation: Construction of Two Contiguous Stereogenic Centers on Nucleophiles
ACS Catalysis, 2021, 12859-12863
4519096 CIFC24 H20 O2 Si2P -110.6678; 10.723; 18.8751
83.324; 83.81; 76.075
2074.32Chen, Ke; Zhu, Hongdan; Li, Yuling; Peng, Qian; Guo, Yinlong; Wang, Xiaoming
Dinuclear Cobalt Complex-Catalyzed Stereodivergent Semireduction of Alkynes: Switchable Selectivities Controlled by H2O
ACS Catalysis, 2021, 13696-13705
4519097 CIFC21 H30 Cl Co F3 N5 O4 SP 1 21/c 116.228; 16.9453; 9.6916
90; 92.313; 90
2662.9Chen, Ke; Zhu, Hongdan; Li, Yuling; Peng, Qian; Guo, Yinlong; Wang, Xiaoming
Dinuclear Cobalt Complex-Catalyzed Stereodivergent Semireduction of Alkynes: Switchable Selectivities Controlled by H2O
ACS Catalysis, 2021, 13696-13705
4519098 CIFC32 H35 N O4P -110.956; 11.975; 22.501
86.546; 79.404; 67.694
2684Simlandy, Amit Kumar; Lyu, Mao-Yun; Brown, M. Kevin
Catalytic Arylboration of Spirocyclic Cyclobutenes: Rapid Access to Highly Substituted Spiro[3.n]alkanes
ACS Catalysis, 2021, 11, 12815-12820
4519099 CIFC24 H36 B N O4P -19.9066; 11.0766; 11.6203
112.849; 92.575; 92.484
1171.31Simlandy, Amit Kumar; Lyu, Mao-Yun; Brown, M. Kevin
Catalytic Arylboration of Spirocyclic Cyclobutenes: Rapid Access to Highly Substituted Spiro[3.n]alkanes
ACS Catalysis, 2021, 11, 12815-12820
4519100 CIFC31 H34 GeC 1 2/c 123.3649; 11.1865; 19.019
90; 95.1336; 90
4951.1Sahoo, Manoj Kumar; Kim, Dongwook; Chang, Sukbok; Park, Jung-Woo
Regioselective Access to α-Vinylsilanes and α-Vinylgermanes by Cobalt-Catalyzed Migratory Hydrofunctionalization of 2-Alkynes
ACS Catalysis, 2021, 11, 12777-12784
4519101 CIFC30 H55 Co P2P -19.1738; 10.045; 17.518
90.845; 96.983; 114.712
1451.7Sahoo, Manoj Kumar; Kim, Dongwook; Chang, Sukbok; Park, Jung-Woo
Regioselective Access to α-Vinylsilanes and α-Vinylgermanes by Cobalt-Catalyzed Migratory Hydrofunctionalization of 2-Alkynes
ACS Catalysis, 2021, 11, 12777-12784
4519139 CIFC26 H25 F N2 O5P 1 21 18.7046; 11.9983; 11.516
90; 100.577; 90
1182.3Lv, Mingjun; Li, Xiaoxun
Ni(II)-Catalyzed Asymmetric Nitration of Oxindoles: Construction of Cipargamin Analogues
ACS Catalysis, 2021, 14829-14835
4519140 CIFC22 H23 Cl2 N3 O2P 1 21 19.7747; 7.5306; 14.5872
90; 104.962; 90
1037.35Lv, Mingjun; Li, Xiaoxun
Ni(II)-Catalyzed Asymmetric Nitration of Oxindoles: Construction of Cipargamin Analogues
ACS Catalysis, 2021, 14829-14835
4519141 CIFC57 H27 Ho4 N2 O26P 63/m c m22.209; 22.209; 38.44
90; 90; 120
16420Zhang, Tao; Chen, Hongtai; Liu, Shurong; Lv, Hongxiao; Zhang, Xiutang; Li, Qiaoling
Highly Robust {Ln4}-Organic Frameworks (Ln = Ho, Yb) for Excellent Catalytic Performance on Cycloaddition Reaction of Epoxides with CO2 and Knoevenagel Condensation
ACS Catalysis, 2021, 14916-14925
4519142 CIFC57 H27 N2 O26 Yb4P 63/m c m22.06; 22.06; 38.082
90; 90; 120
16049Zhang, Tao; Chen, Hongtai; Liu, Shurong; Lv, Hongxiao; Zhang, Xiutang; Li, Qiaoling
Highly Robust {Ln4}-Organic Frameworks (Ln = Ho, Yb) for Excellent Catalytic Performance on Cycloaddition Reaction of Epoxides with CO2 and Knoevenagel Condensation
ACS Catalysis, 2021, 14916-14925
4519143 CIFC18 H17 F2 N OP c a 2110.2505; 14.9948; 10.2309
90; 90; 90
1572.53Ma, Shucheng; Li, Fangjie; Zhang, Guisheng; Shi, Lei; Wang, Xiaoming
Highly Regioselective Difluoroalkylarylation of Butadiene through a Nickel-Catalyzed Tandem Radical Process
ACS Catalysis, 2021, 14848-14853
4519144 CIFC40 H6 F20P -14.3952; 18.1094; 19.3056
82.053; 83.462; 83.034
1503.24Takahashi, Rikuro; Seo, Tamae; Kubota, Koji; Ito, Hajime
Palladium-Catalyzed Solid-State Polyfluoroarylation of Aryl Halides Using Mechanochemistry
ACS Catalysis, 2021, 14803-14810
4519145 CIFC27 H30 B10 N O P PdP 1 21/n 19.0642; 13.1695; 24.86
90; 94.902; 90
2956.7Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong
Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes
ACS Catalysis, 2021, 11, 14047-14057
4519146 CIFC11 H18 B10 O3P 1 21/c 122.9926; 6.5798; 24.1534
90; 115.752; 90
3291.2Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong
Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes
ACS Catalysis, 2021, 11, 14047-14057
4519147 CIFC19 H24 B10 O5P b c m6.8374; 18.2868; 18.8324
90; 90; 90
2354.7Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong
Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes
ACS Catalysis, 2021, 11, 14047-14057
4519148 CIFC21 H21 B10 F3 OP 1 21/c 114.2655; 19.45; 8.314
90; 102.863; 90
2248.9Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong
Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes
ACS Catalysis, 2021, 11, 14047-14057
4519149 CIFC35 H36 B10 O9P 1 21/c 122.445; 8.524; 20.897
90; 116.232; 90
3586Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong
Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes
ACS Catalysis, 2021, 11, 14047-14057
4519150 CIFC46 H47 B10 Cl2 N O12P -112.9702; 13.498; 16.6031
70.165; 71.761; 64.698
2423.3Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong
Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes
ACS Catalysis, 2021, 11, 14047-14057
4519151 CIFC43 H42 B10 N O5 P PdP 1 21/c 115.475; 25.5038; 16.9662
90; 102.143; 90
6546.3Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong
Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes
ACS Catalysis, 2021, 11, 14047-14057
4519152 CIFC43 H60 B10 OC 1 2/c 130.248; 12.321; 25.333
90; 116.221; 90
8470Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong
Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes
ACS Catalysis, 2021, 11, 14047-14057
4519153 CIFC31 H36 B10 OC 1 2/c 124.4616; 13.4493; 18.7508
90; 100.232; 90
6070.7Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong
Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes
ACS Catalysis, 2021, 11, 14047-14057
4519154 CIFC66 H58 B20 F8 N2 O2P -110.804; 11.906; 25.209
90.09; 87.216; 88.784
3238Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong
Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes
ACS Catalysis, 2021, 11, 14047-14057
4519155 CIFC37 H39 B10 N O3 SP 1 21/c 123.4028; 10.4909; 17.9732
90; 111.455; 90
4106.9Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong
Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes
ACS Catalysis, 2021, 11, 14047-14057
4519156 CIFC90 H110 B20 N2 O4P 2 2 220.541; 21.748; 21.85
90; 90; 90
9761Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong
Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes
ACS Catalysis, 2021, 11, 14047-14057
4519157 CIFC54 H73 B10 NP 1 21/n 112.427; 37.88; 13.129
90; 103.168; 90
6018Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong
Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes
ACS Catalysis, 2021, 11, 14047-14057
4519158 CIFC59 H86 B10 OP -111.646; 11.847; 22.42
91.159; 103.259; 105.903
2884.2Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong
Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes
ACS Catalysis, 2021, 11, 14047-14057
4519159 CIFC60 H83 B9 Cl3 N2 O2P -114.9214; 15.0111; 17.2386
108.538; 106.645; 102.932
3290Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong
Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes
ACS Catalysis, 2021, 11, 14047-14057
4519160 CIFC93 H67 B10 N5 O6P -110.816; 16.257; 21.721
100.657; 92.975; 92.071
3744.3Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong
Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes
ACS Catalysis, 2021, 11, 14047-14057
4519161 CIFC28 H42 I N2 O3 PP 1 21 110.2419; 15.1653; 10.3309
90; 103.069; 90
1563.05Chen, Yuan; Yu, Zhaoyuan; Jiang, Zhiyu; Tan, Jian-Ping; Wu, Jia-Hong; Lan, Yu; Ren, Xiaoyu; Wang, Tianli
Asymmetric Construction of Tertiary/Secondary Carbon–Phosphorus Bonds via Bifunctional Phosphonium Salt Catalyzed 1,6-Addition
ACS Catalysis, 2021, 11, 14168-14180
4519162 CIFC25 H21 O3 PP 21 21 2110.772; 13.7803; 13.8713
90; 90; 90
2059.08Chen, Yuan; Yu, Zhaoyuan; Jiang, Zhiyu; Tan, Jian-Ping; Wu, Jia-Hong; Lan, Yu; Ren, Xiaoyu; Wang, Tianli
Asymmetric Construction of Tertiary/Secondary Carbon–Phosphorus Bonds via Bifunctional Phosphonium Salt Catalyzed 1,6-Addition
ACS Catalysis, 2021, 11, 14168-14180
4519163 CIFC33 H37 Cl3 N O4 P SP 21 21 2111.8935; 13.9039; 21.127
90; 90; 90
3493.7Fang, Siqiang; Liu, Zanjiao; Zhang, Hongkui; Pan, Jianke; Chen, Yuan; Ren, Xiaoyu; Wang, Tianli
Access to S-Stereogenic Free Sulfoximines via Bifunctional Phosphonium Salt-Catalyzed Desymmetrization of Bisphenols
ACS Catalysis, 2021, 11, 13902-13912
4519164 CIFC19 H17 N O5 S2P 1 21 19.0907; 19.9189; 10.3884
90; 94.407; 90
1875.54Fang, Siqiang; Liu, Zanjiao; Zhang, Hongkui; Pan, Jianke; Chen, Yuan; Ren, Xiaoyu; Wang, Tianli
Access to S-Stereogenic Free Sulfoximines via Bifunctional Phosphonium Salt-Catalyzed Desymmetrization of Bisphenols
ACS Catalysis, 2021, 11, 13902-13912
4519165 CIFC19 H18 N2P 1 21 15.693; 7.6997; 17.596
90; 90.139; 90
771.3Long, Jinguo; Xia, Shaomiao; Wang, Ting; Cheng, Gui-Juan; Fang, Xianjie
Nickel-Catalyzed Regiodivergent Cyanation of Allylic Alcohols: Scope, Mechanism, and Application to the Synthesis of 1,n-Dinitriles
ACS Catalysis, 2021, 11, 13880-13890
4519166 CIFC31 H50 N2P 21 21 216.4329; 12.0639; 35.625
90; 90; 90
2764.71Long, Jinguo; Xia, Shaomiao; Wang, Ting; Cheng, Gui-Juan; Fang, Xianjie
Nickel-Catalyzed Regiodivergent Cyanation of Allylic Alcohols: Scope, Mechanism, and Application to the Synthesis of 1,n-Dinitriles
ACS Catalysis, 2021, 11, 13880-13890
4519167 CIFC48 H57 O PP 1 21 110.2524; 10.0212; 19.2295
90; 90.56; 90
1975.57Zhang, Xi; Wang, Juan; Yang, Shang-Dong
Enantioselective Cobalt-Catalyzed Reductive Cross-Coupling for the Synthesis of Axially Chiral Phosphine–Olefin Ligands
ACS Catalysis, 2021, 11, 14008-14015
4519168 CIFC15 H15 F3 OP 1 21 110.697; 5.5963; 12.344
90; 113.17; 90
679.4Zhang, Xinyu; Sivaguru, Paramasivam; Zanoni, Giuseppe; Han, Xinyue; Tong, Minghui; Bi, Xihe
Catalytic Asymmetric C(sp3)–H Carbene Insertion Approach to Access Enantioenriched 3-Fluoroalkyl 2,3-Dihydrobenzofurans
ACS Catalysis, 2021, 11, 14293-14301
4519169 CIFC33 H28 F7 N2 O2 P PdP -110.224; 15.6567; 20.8337
102.492; 90.645; 99.746
3205.02Xue, Yuan; Park, Han Seul; Jiang, Chao; Yu, Jin-Quan
Palladium-Catalyzed β-C(sp3)–H Nitrooxylation of Ketones and Amides Using Practical Oxidants
ACS Catalysis, 2021, 11, 14188-14193
4519170 CIFC21 H18 F7 N3 O5P -19.0926; 10.8538; 11.6733
79.296; 87.955; 81.181
1118.57Xue, Yuan; Park, Han Seul; Jiang, Chao; Yu, Jin-Quan
Palladium-Catalyzed β-C(sp3)–H Nitrooxylation of Ketones and Amides Using Practical Oxidants
ACS Catalysis, 2021, 11, 14188-14193
4519171 CIFC41 H49 Cl2 N3 O RuP -111.2474; 12.9764; 13.8903
112.797; 92.8492; 93.8959
1858.24Park, Seongwook; Byun, Seunghwan; Ryu, Huijeoung; Hahm, Hyungwoo; Lee, Junseong; Hong, Sukwon
Reversibly Photoswitchable Catalysts for Olefin Metathesis Reactions
ACS Catalysis, 2021, 11, 13860-13865
4519172 CIFC20 H16 N2 O4P 1 21/c 112.4452; 8.0989; 17.7051
90; 108.065; 90
1696.6Zhao, Fei; Zhou, Zhi; Lu, Yangbin; Qiao, Jin; Zhang, Xiaoning; Gong, Xin; Liu, Siyu; Lin, Shuang; Wu, Xiaowei; Yi, Wei
Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study
ACS Catalysis, 2021, 11, 13921-13934
4519173 CIFC21 H21 N O2P -15.2145; 15.0019; 21.336
92.576; 90.425; 90.701
1667.2Zhao, Fei; Zhou, Zhi; Lu, Yangbin; Qiao, Jin; Zhang, Xiaoning; Gong, Xin; Liu, Siyu; Lin, Shuang; Wu, Xiaowei; Yi, Wei
Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study
ACS Catalysis, 2021, 11, 13921-13934
4519174 CIFC19 H22 N2 O5P -19.1689; 9.169; 11.0996
88.373; 77.566; 71.735
864.57Zhao, Fei; Zhou, Zhi; Lu, Yangbin; Qiao, Jin; Zhang, Xiaoning; Gong, Xin; Liu, Siyu; Lin, Shuang; Wu, Xiaowei; Yi, Wei
Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study
ACS Catalysis, 2021, 11, 13921-13934
4519175 CIFC19 H22 N2 O4P 1 21/n 15.474; 30.8299; 10.1841
90; 103.872; 90
1668.57Zhao, Fei; Zhou, Zhi; Lu, Yangbin; Qiao, Jin; Zhang, Xiaoning; Gong, Xin; Liu, Siyu; Lin, Shuang; Wu, Xiaowei; Yi, Wei
Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study
ACS Catalysis, 2021, 11, 13921-13934
4519176 CIFC14 H16 N2 OP 1 21/n 19.7613; 8.8089; 15.2633
90; 107.035; 90
1254.85Bories, Cassandre C.; Barbazanges, Marion; Derat, Etienne; Petit, Marc
Implication of a Silyl Cobalt Dihydride Complex as a Useful Catalyst for the Hydrosilylation of Imines
ACS Catalysis, 2021, 11, 14262-14273
4519177 CIFC27 H44 Co P3 SiP 1 21 19.0544; 18.8627; 9.465
90; 115.243; 90
1462.16Bories, Cassandre C.; Barbazanges, Marion; Derat, Etienne; Petit, Marc
Implication of a Silyl Cobalt Dihydride Complex as a Useful Catalyst for the Hydrosilylation of Imines
ACS Catalysis, 2021, 11, 14262-14273
4519178 CIFC20 H21 F6 Ir N2 O4P 1 21/n 110.6577; 12.06; 17.0706
90; 97.183; 90
2176.9Zhou, Xiaoguang; Malakar, Santanu; Dugan, Thomas; Wang, Kun; Sattler, Aaron; Marler, David O.; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.
Alkane Dehydrogenation Catalyzed by a Fluorinated Phebox Iridium Complex
ACS Catalysis, 2021, 11, 14194-14209

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