Crystallography Open Database

Result: there are 2395 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching journal of publication like 'ACS catalysis'

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 48 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
4513825 CIFC28 H33 B O2 SiP -19.8337; 11.7927; 12.4336
112.475; 96.966; 104.18
1254Ansell, Melvyn B.; Spencer, John; Navarro, Oscar
(N-Heterocyclic Carbene)2-Pd(0)-Catalyzed Silaboration of Internal and Terminal Alkynes: Scope and Mechanistic Studies
ACS Catalysis, 2016, 6, 2192
4513826 CIFC33 H49 N4 Pd Si2P -111.8802; 12.1897; 13.9679
86.341; 73.708; 63.295
1729.87Ansell, Melvyn B.; Spencer, John; Navarro, Oscar
(N-Heterocyclic Carbene)2-Pd(0)-Catalyzed Silaboration of Internal and Terminal Alkynes: Scope and Mechanistic Studies
ACS Catalysis, 2016, 6, 2192
4513827 CIFC28 H47 B N4 O2 Pd SiP 1 21/n 112.9381; 17.8318; 14.8311
90; 113.454; 90
3138.98Ansell, Melvyn B.; Spencer, John; Navarro, Oscar
(N-Heterocyclic Carbene)2-Pd(0)-Catalyzed Silaboration of Internal and Terminal Alkynes: Scope and Mechanistic Studies
ACS Catalysis, 2016, 6, 2192
4513837 CIFC23 H26 I2 Ir N3P 1 21/c 117.0173; 7.793; 19.3018
90; 103.52; 90
2488.79Semwal, Shrivats; Choudhury, Joyanta
Molecular Coordination-Switch in a New Role: Controlling Highly Selective Catalytic Hydrogenation with Switchability Function
ACS Catalysis, 2016, 6, 2424
4513838 CIFC23 H25 I Ir N3P -19.2675; 10.21; 12.0027
79.971; 78.553; 83.299
1092.13Semwal, Shrivats; Choudhury, Joyanta
Molecular Coordination-Switch in a New Role: Controlling Highly Selective Catalytic Hydrogenation with Switchability Function
ACS Catalysis, 2016, 6, 2424
4513839 CIFC21 H19 N O4P 21 21 217.32516; 13.4286; 19.6168
90; 90; 90
1929.64Wang, Gang; Liu, Xiaohua; Chen, Yushuang; Yang, Jian; Li, Jun; Lin, Lili; Feng, Xiaoming
Diastereoselective and Enantioselective Alleno-aldol Reaction of Allenoates with Isatins to Synthesis of Carbinol Allenoates Catalyzed by Gold
ACS Catalysis, 2016, 6, 2482
4513840 CIFC17 H10 F6 O2P 1 21/c 15.622; 15.483; 18.549
90; 94.841; 90
1608.8Fu, Ming-Chen; Shang, Rui; Cheng, Wan-Min; Fu, Yao
Nickel-Catalyzed Regio- and Stereoselective Hydrocarboxylation of Alkynes with Formic Acid through Catalytic CO Recycling
ACS Catalysis, 2016, 6, 2501
4513841 CIFC12 H12 O4P 1 21/n 14.5824; 19.9078; 12.0067
90; 94.374; 90
1092.13Fu, Ming-Chen; Shang, Rui; Cheng, Wan-Min; Fu, Yao
Nickel-Catalyzed Regio- and Stereoselective Hydrocarboxylation of Alkynes with Formic Acid through Catalytic CO Recycling
ACS Catalysis, 2016, 6, 2501
4513842 CIFC67 H16 B2 Cl2 F40 Fe4 O12 S4P c a 2117.7344; 14.2966; 30.6824
90; 90; 90
7779.3Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi
Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation
ACS Catalysis, 2016, 6, 2559
4513843 CIFC36 H5 B F20 Fe2 O6 S2P b c a16.0418; 20.9445; 23.0959
90; 90; 90
7759.9Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi
Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation
ACS Catalysis, 2016, 6, 2559
4513844 CIFC33 H7 B Cl2 F20 Fe2 O6 S2C 1 c 122.9134; 12.3868; 17.2161
90; 124.699; 90
4017.3Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi
Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation
ACS Catalysis, 2016, 6, 2559
4513845 CIFC11 H7 F9 Fe2 O15 S5P 1 21/m 16.4147; 18.5996; 11.5206
90; 104.145; 90
1332.85Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi
Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation
ACS Catalysis, 2016, 6, 2559
4513846 CIFC18 H16 OP 1 21 110.5879; 4.8182; 13.6534
90; 96.876; 90
691.51Rodríguez, Elsa; Grayson, Matthew N.; Asensio, Amparo; Barrio, Pablo; Houk, K. N.; Fustero, Santos
Chiral Brønsted Acid-Catalyzed Asymmetric Allyl(propargyl)boration Reaction ofortho-Alkynyl Benzaldehydes: Synthetic Applications and Factors Governing the Enantioselectivity
ACS Catalysis, 2016, 6, 2506
4513847 CIFC18 H14 OP 1 21 110.5044; 4.7708; 13.7318
90; 97.605; 90
682.11Rodríguez, Elsa; Grayson, Matthew N.; Asensio, Amparo; Barrio, Pablo; Houk, K. N.; Fustero, Santos
Chiral Brønsted Acid-Catalyzed Asymmetric Allyl(propargyl)boration Reaction ofortho-Alkynyl Benzaldehydes: Synthetic Applications and Factors Governing the Enantioselectivity
ACS Catalysis, 2016, 6, 2506
4513848 CIFC23 H33 Co N3 O4P 1 21/c 18.9984; 21.6663; 12.2395
90; 90.0826; 90
2386.24Schuster, Christopher H.; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.
Bench-Stable, Substrate-Activated Cobalt Carboxylate Pre-Catalysts for Alkene Hydrosilylation with Tertiary Silanes
ACS Catalysis, 2016, 6, 2632
4513849 CIFC21 H35 Co N3 O5P 1 21/c 18.9806; 29.3177; 8.8612
90; 97.9533; 90
2310.63Schuster, Christopher H.; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.
Bench-Stable, Substrate-Activated Cobalt Carboxylate Pre-Catalysts for Alkene Hydrosilylation with Tertiary Silanes
ACS Catalysis, 2016, 6, 2632
4513850 CIFC22 H23 Cl Ir N3 O3P 1 21/c 115.229; 8.446; 17.388
90; 108.03; 90
2126.7Ngo, Anh H.; Ibañez, Miguel; Do, Loi H.
Catalytic Hydrogenation of Cytotoxic Aldehydes Using Nicotinamide Adenine Dinucleotide (NADH) in Cell Growth Media
ACS Catalysis, 2016, 6, 2637
4513853 CIFC20 H38 Br Fe N3 O P2P 1 21 111.7189; 12.5863; 16.7721
90; 99.602; 90
2439.2Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl
Highly Efficient and Selective Hydrogenation of Aldehydes: A Well-Defined Fe(II) Catalyst Exhibits Noble-Metal Activity.
ACS catalysis, 2016, 6, 2664-2672
4513854 CIFC20 H39 Fe N3 O P2P 1 21/c 113.7848; 11.7982; 15.4447
90; 113.332; 90
2306.5Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl
Highly Efficient and Selective Hydrogenation of Aldehydes: A Well-Defined Fe(II) Catalyst Exhibits Noble-Metal Activity.
ACS catalysis, 2016, 6, 2664-2672
4513855 CIFC29 H26 F3 N3 O6 SP 21 21 218.33; 21.758; 15.532
90; 90; 90
2815.08Montesinos-Magraner, Marc; Vila, Carlos; Rendón-Patiño, Alejandra; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, José R.
Organocatalytic Enantioselective Friedel–Crafts Aminoalkylation of Indoles in the Carbocyclic Ring
ACS Catalysis, 2016, 6, 2689
4513856 CIFC29 H29 N3 O6 SP 21 21 218.592; 11.328; 27.778
90; 90; 90
2703.64Montesinos-Magraner, Marc; Vila, Carlos; Rendón-Patiño, Alejandra; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, José R.
Organocatalytic Enantioselective Friedel–Crafts Aminoalkylation of Indoles in the Carbocyclic Ring
ACS Catalysis, 2016, 6, 2689
4513857 CIFC29 H26 F3 N3 O6 SP -110.512; 10.602; 13.589
104.085; 99.52; 91.757
1444.7Montesinos-Magraner, Marc; Vila, Carlos; Rendón-Patiño, Alejandra; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, José R.
Organocatalytic Enantioselective Friedel–Crafts Aminoalkylation of Indoles in the Carbocyclic Ring
ACS Catalysis, 2016, 6, 2689
4513858 CIFC20 H19 N O2P 21 21 217.23695; 9.22435; 23.1301
90; 90; 90
1544.08Ghosh, Avipsa; Walker, James A.; Ellern, Arkady; Stanley, Levi M.
Coupling Catalytic Alkene Hydroacylation and α-Arylation: Enantioselective Synthesis of Heterocyclic Ketones with α-Chiral Quaternary Stereocenters
ACS Catalysis, 2016, 6, 2673
4513862 CIFC21 H39 Fe N3 O3 P2P 1 21/c 115.1403; 23.6; 14.0883
90; 96.634; 90
5000.2Bertini, Federica; Gorgas, Nikolaus; Stöger, Berthold; Peruzzini, Maurizio; Veiros, Luis F.; Kirchner, Karl; Gonsalvi, Luca
Efficient and Mild Carbon Dioxide Hydrogenation to Formate Catalyzed by Fe(II) Hydrido Carbonyl Complexes Bearing 2,6-(Diaminopyridyl)diphosphine Pincer Ligands
ACS Catalysis, 2016, 2889
4513863 CIFC33 H38 B Li O2 P2 S2P -19.0615; 10.7999; 17.4441
88.376; 79.606; 82.091
1663.14Lafage, Mathieu; Pujol, Anthony; Saffon-Merceron, Nathalie; Mézailles, Nicolas
BH3Activation by Phosphorus-Stabilized Geminal Dianions: Synthesis of Ambiphilic Organoborane, DFT Studies, and Catalytic CO2Reduction into Methanol Derivatives
ACS Catalysis, 2016, 6, 3030
4513864 CIFC29 H35 B2 Li O P2 S2C 1 2/c 115.4208; 14.8446; 13.1339
90; 92.9702; 90
3002.52Lafage, Mathieu; Pujol, Anthony; Saffon-Merceron, Nathalie; Mézailles, Nicolas
BH3Activation by Phosphorus-Stabilized Geminal Dianions: Synthesis of Ambiphilic Organoborane, DFT Studies, and Catalytic CO2Reduction into Methanol Derivatives
ACS Catalysis, 2016, 6, 3030
4513865 CIFC20 H20 OP 21 21 218.4103; 8.8487; 20.8277
90; 90; 90
1550Casanova, Noelia; Del Rio, Karina P.; García-Fandiño, Rebeca; Mascareñas, José L; Gulías, Moisés
Palladium(II)-Catalyzed Annulation between ortho-Alkenylphenols and Allenes. Key Role of the Metal Geometry in Determining the Reaction Outcome.
ACS catalysis, 2016, 6, 3349-3353
4513866 CIFC36 H32 O2P 1 21/c 19.4194; 7.0858; 19.435
90; 95.373; 90
1291.5Casanova, Noelia; Del Rio, Karina P.; García-Fandiño, Rebeca; Mascareñas, José L; Gulías, Moisés
Palladium(II)-Catalyzed Annulation between ortho-Alkenylphenols and Allenes. Key Role of the Metal Geometry in Determining the Reaction Outcome.
ACS catalysis, 2016, 6, 3349-3353
4513867 CIFC20 H19 F OP 21 21 216.489; 7.157; 32.722
90; 90; 90
1519.7Casanova, Noelia; Del Rio, Karina P.; García-Fandiño, Rebeca; Mascareñas, José L; Gulías, Moisés
Palladium(II)-Catalyzed Annulation between ortho-Alkenylphenols and Allenes. Key Role of the Metal Geometry in Determining the Reaction Outcome.
ACS catalysis, 2016, 6, 3349-3353
4513868 CIFC16 H19.16 N2 O4.58 PdP 1 21/c 114.136; 9.529; 25.085
90; 94.09; 90
3370.4White, Paul B.; Jaworski, Jonathan N.; Zhu, Geyunjian Harry; Stahl, Shannon S.
Diazafluorenone-Promoted Oxidation Catalysis: Insights into the Role of Bidentate Ligands in Pd-Catalyzed Aerobic Aza-Wacker Reactions.
ACS catalysis, 2016, 6, 3340-3348
4513869 CIFC20 H17 N3 O5 PdP 1 21/n 111.06; 10.703; 15.879
90; 102.713; 90
1833.6White, Paul B.; Jaworski, Jonathan N.; Zhu, Geyunjian Harry; Stahl, Shannon S.
Diazafluorenone-Promoted Oxidation Catalysis: Insights into the Role of Bidentate Ligands in Pd-Catalyzed Aerobic Aza-Wacker Reactions.
ACS catalysis, 2016, 6, 3340-3348
4513870 CIFC22 H23 N3 O4 PdP 1 21/c 112.472; 8.829; 19.26
90; 90.22; 90
2120.8White, Paul B.; Jaworski, Jonathan N.; Zhu, Geyunjian Harry; Stahl, Shannon S.
Diazafluorenone-Promoted Oxidation Catalysis: Insights into the Role of Bidentate Ligands in Pd-Catalyzed Aerobic Aza-Wacker Reactions.
ACS catalysis, 2016, 6, 3340-3348
4513871 CIFC19 H26 B N O2P 1 21 19.8601; 17.3729; 10.9482
90; 111.164; 90
1748.92Zhan, Miao; Li, Ren-Zhe; Mou, Ze-Dong; Cao, Chao-Guo; Liu, Jie; Chen, Yuan-Wei; Niu, Dawen
Silver-Assisted, Iridium-Catalyzed Allylation of Bis[(pinacolato)boryl]methane Allows the Synthesis of Enantioenriched Homoallylic Organoboronic Esters
ACS Catalysis, 2016, 6, 3381
4513872 CIFC51 H32 N4 O9 Zn2P 42/m n m36.0683; 36.0683; 27.0566
90; 90; 90
35199Hall, Edward A.; Redfern, Louis R.; Wang, Michael H.; Scheidt, Karl A.
Lewis Acid Activation of a Hydrogen Bond Donor Metal‒Organic Framework for Catalysis
ACS Catalysis, 2016, 6, 3248
4513873 CIFC15 H19 Ir N2 O6 SP 1 21/c 18.7413; 14.2966; 15.2329
90; 98.084; 90
1884.75Koelewijn, Jacobus M.; Lutz, Martin; Dzik, Wojciech I.; Detz, Remko J.; Reek, Joost N. H.
Reaction Progress Kinetic Analysis as a Tool To Reveal Ligand Effects in Ce(IV)-Driven IrCp*-Catalyzed Water Oxidation
ACS Catalysis, 2016, 6, 3418
4513878 CIFC30 H20 N2 OP 21 21 219.0933; 20.0387; 23.2417
90; 90; 90
4235.05Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R.
Merging C–H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines
ACS Catalysis, 2016, 6, 3531
4513879 CIFC33 H23 F3 N2 O4P 1 21/c 121.6794; 5.8892; 20.8559
90; 98.889; 90
2630.78Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R.
Merging C–H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines
ACS Catalysis, 2016, 6, 3531
4513880 CIFC26 H20 N2 OP -112.5358; 12.9306; 14.235
66.91; 68.341; 69.341
1913.41Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R.
Merging C–H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines
ACS Catalysis, 2016, 6, 3531
4513881 CIFC27 H20 Br N O3 SP 1 21/c 112.857; 15.123; 12.073
90; 102.04; 90
2295.79Sun, Jiaqiong; Zheng, Guangfan; Xiong, Tao; Zhang, Qiao; Zhao, Jinbo; Li, Yan; Zhang, Qian
Copper-Catalyzed Hydroxyl-Directed Aminoarylation of Alkynes
ACS Catalysis, 2016, 6, 3674
4513882 CIFC35 H30 Br N3 O2P -110.6203; 11.0296; 13.8669
102.003; 107.216; 99.873
1469.68Wei, Guo; Zhang, Chenhao; Bureš, Filip; Ye, Xinyi; Tan, Choon-Hong; Jiang, Zhiyong
Enantioselective Aerobic Oxidative C(sp3)–H Olefination of Amines via Cooperative Photoredox and Asymmetric Catalysis
ACS Catalysis, 2016, 6, 3708
4513883 CIFC27 H26 O3P 1 21/c 114.1082; 18.267; 8.1718
90; 96.84; 90
2091Yan, Jianming; Yoshikai, Naohiko
Cobalt-Catalyzed Arylative Cyclization of Acetylenic Esters and Ketones with Arylzinc Reagents through 1,4-Cobalt Migration
ACS Catalysis, 2016, 6, 3738
4513884 CIFC24 H21 N O2P 1 21/c 112.787; 12.7131; 12.427
90; 114.445; 90
1839.1Li, Bin; Xu, Hong; Wang, Huanan; Wang, Baiquan
Rhodium-Catalyzed Annulation of Tertiary AnilineN-Oxides toN-Alkylindoles: Regioselective C–H Activation, Oxygen-Atom Transfer, andN-Dealkylative Cyclization
ACS Catalysis, 2016, 6, 3856
4513885 CIFC22 H18 Br NP 1 21/n 19.67; 19.62; 9.9545
90; 112.567; 90
1744Li, Bin; Xu, Hong; Wang, Huanan; Wang, Baiquan
Rhodium-Catalyzed Annulation of Tertiary AnilineN-Oxides toN-Alkylindoles: Regioselective C–H Activation, Oxygen-Atom Transfer, andN-Dealkylative Cyclization
ACS Catalysis, 2016, 6, 3856
4513886 CIFC14 H16 F3 N3 O3P 21 21 214.8832; 15.6825; 19.696
90; 90; 90
1508.34Barron, Benedict J.; Wong, Wing-Tak; Chiu, Pauline; Hii, King Kuok
“Goldilocks Effect” of Water in Lewis-Brønsted Acid and Base Catalysis
ACS Catalysis, 2016, 6, 4189
4513887 CIFC20 H13 N O2P b c n11.5615; 11.966; 21.75
90; 90; 90
3009Abdellaoui, Fatma; Youssef, Chiraz; Ben Ammar, Hamed; Roisnel, Thierry; Soulé, Jean-François; Doucet, Henri
Palladium-Catalyzed Regioselective C–H Bond Arylations of Benzoxazoles and Benzothiazoles at the C7 Position
ACS Catalysis, 2016, 6, 4248
4513888 CIFC9 H18 Cl N3 SiP 1 21/n 17.3619; 15.6139; 10.5158
90; 95.783; 90
1202.62von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.
Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs
ACS Catalysis, 2016, 4526
4513889 CIFC13 H26 Cl N3 SiP 1 21/n 19.2603; 12.2644; 14.0949
90; 101.148; 90
1570.58von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.
Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs
ACS Catalysis, 2016, 4526
4513890 CIFC70 H44 B2 F40 N6 O2 Si2C 1 2/c 110.4208; 32.2781; 20.9281
90; 91.711; 90
7036.3von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.
Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs
ACS Catalysis, 2016, 4526
4513891 CIFC22 H36 F12 N8 O8 S4 Si2P b c a17.0441; 17.1344; 26.8405
90; 90; 90
7838.5von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.
Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs
ACS Catalysis, 2016, 4526
4513892 CIFC12.5 H20.5 Cl N3.5 O2 SiP 1 21 18.6635; 9.8107; 9.9624
90; 92.613; 90
845.87von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.
Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs
ACS Catalysis, 2016, 4526

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 48 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!