Crystallography Open Database

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4513735 CIFC29 H32 N2 O2P 1 21/n 18.6895; 9.8563; 30.266
90; 94.399; 90
2584.5Kuai, Changsheng; Wang, Lianhui; Cui, Haoyi; Shen, Jinhai; Feng, Yadong; Cui, Xiuling
Efficient and Selective Synthesis of (E)-Enamides via Ru(II)-Catalyzed Hydroamidation of Internal Alkynes
ACS Catalysis, 2016, 6, 186
4513736 CIFC23 H20 N2 OP 1 21/n 112.864; 9.812; 13.652
90; 92.938; 90
1720.9Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.
Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization
ACS Catalysis, 2016, 6, 451
4513737 CIFC18 H11 F5 N2 O2P 1 21/c 111.342; 6.528; 21.294
90; 95.503; 90
1569.4Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.
Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization
ACS Catalysis, 2016, 6, 451
4513738 CIFC21 H21 N3P -17.784; 10.507; 11.117
106.154; 96.466; 97.82
854.3Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.
Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization
ACS Catalysis, 2016, 6, 451
4513739 CIFC25 H19 F N2 O2P 1 21/n 112.243; 7.246; 21.867
90; 105.022; 90
1873.6Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.
Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization
ACS Catalysis, 2016, 6, 451
4513740 CIFC18 H15 Br N2 O2P 1 21/n 110.221; 6.258; 24.249
90; 97.531; 90
1537.7Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.
Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization
ACS Catalysis, 2016, 6, 451
4513741 CIFC25.57 H21.14 Cl1.13 N2 O2P 1 21 112.2626; 7.2788; 12.3394
90; 104.51; 90
1066.25Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.
Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization
ACS Catalysis, 2016, 6, 451
4513742 CIFC20 H18 N2 O2P 1 c 15.238; 12.589; 11.597
90; 91.334; 90
764.5Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.
Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization
ACS Catalysis, 2016, 6, 451
4513743 CIFC18 H14 Br N3P 1 21/c 18.6369; 26.751; 6.9978
90; 106.79; 90
1547.89Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.
Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization
ACS Catalysis, 2016, 6, 451
4513744 CIFC19 H18 N2 O2P 1 21/c 19.882; 36.918; 8.62
90; 99.99; 90
3097.1Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.
Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization
ACS Catalysis, 2016, 6, 451
4513745 CIFC26 H22 N2 O3P 1 21/n 112.352; 7.361; 22.122
90; 98.421; 90
1989.7Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.
Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization
ACS Catalysis, 2016, 6, 451
4513746 CIFC20 H18 N2 O2P 1 21 111.035; 6.9; 11.373
90; 115.012; 90
784.75Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.
Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization
ACS Catalysis, 2016, 6, 451
4513747 CIFC22 H13 F5 N4 O2P 1 21 17.91984; 7.77745; 16.8551
90; 101.445; 90
1017.57Xu, Yali; Liao, Yuting; Lin, Lili; Zhou, Yuhang; Li, Jun; Liu, Xiaohua; Feng, Xiaoming
Catalytic Asymmetric Inverse-Electron Demand 1,3-Dipolar Cycloaddition of Isoquinolinium Methylides with Enecarbamates by a ChiralN,N′-Dioxide/Ag(I) Complex
ACS Catalysis, 2016, 6, 589
4513748 CIFC23.73 H18.45 Cl0.7 N O3.12 SP 21 21 29.7227; 23.8357; 8.7364
90; 90; 90
2024.6Izquierdo, Javier; Pericàs, Miquel A.
A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow
ACS Catalysis, 2016, 6, 348
4513749 CIFC30 H25 N O3 SP 1 21 15.9234; 17.5385; 11.7578
90; 95.5438; 90
1215.78Izquierdo, Javier; Pericàs, Miquel A.
A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow
ACS Catalysis, 2016, 6, 348
4513750 CIFC19 H16 N2 O SP 21 21 219.8811; 10.2565; 15.4749
90; 90; 90
1568.31Izquierdo, Javier; Pericàs, Miquel A.
A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow
ACS Catalysis, 2016, 6, 348
4513751 CIFC22 H19 F N2 OP b c a13.5231; 13.1489; 19.3467
90; 90; 90
3440.1Hiramatsu, Kenichi; Honjo, Takashi; Rauniyar, Vivek; Toste, F. Dean
Enantioselective Synthesis of Fluoro-Dihydroquinazolones and -Benzooxazinones by Fluorination-Initiated Asymmetric Cyclization Reactions.
ACS catalysis, 2015, 6, 151-154
4513752 CIFC12 H15 F N2 OP 1 21 17.6084; 6.4312; 11.7689
90; 103.627; 90
559.66Hiramatsu, Kenichi; Honjo, Takashi; Rauniyar, Vivek; Toste, F. Dean
Enantioselective Synthesis of Fluoro-Dihydroquinazolones and -Benzooxazinones by Fluorination-Initiated Asymmetric Cyclization Reactions.
ACS catalysis, 2015, 6, 151-154
4513753 CIFC13 H4 F5 N SP 1 21/c 114.407; 7.3079; 11.1275
90; 109.808; 90
1102.24Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard
Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis
ACS Catalysis, 2016, 6, 369
4513754 CIFC12 H6 F4P 1 21/c 112.8062; 5.84755; 12.6869
90; 105.223; 90
916.72Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard
Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis
ACS Catalysis, 2016, 6, 369
4513755 CIFC13 H5 F7P 21 21 215.92801; 7.5738; 23.6364
90; 90; 90
1061.22Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard
Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis
ACS Catalysis, 2016, 6, 369
4513756 CIFC12 H5 F5C 2 2 215.80768; 20.9642; 7.68611
90; 90; 90
935.81Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard
Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis
ACS Catalysis, 2016, 6, 369
4513757 CIFC37 H40 Br N O3P 21 21 2110.038; 15.921; 20.131
90; 90; 90
3217.2He, Fu-Sheng; Jin, Jing-Hai; Yang, Zhong-Tao; Yu, Xingxin; Fossey, John S.; Deng, Wei-Ping
Direct Asymmetric Synthesis of β-Bis-Aryl-α-Amino Acid Esters via Enantioselective Copper-Catalyzed Addition ofp-Quinone Methides
ACS Catalysis, 2016, 6, 652
4513758 CIFC22 H20 F3 N OP b c a19.0615; 9.325; 20.7194
90; 90; 90
3682.8Yu, Liu-Zhu; Xu, Qin; Tang, Xiang-Yiang; Shi, Min
Iron- or Copper-Catalyzed Trifluoromethylation of Acrylamide-Tethered Alkylidenecyclopropanes: Facile Synthesis of CF3-Containing Polycyclic Benzazepine Derivatives
ACS Catalysis, 2016, 6, 526
4513759 CIFC36 H44 Er N O Si2P 1 21/c 116.5508; 9.9149; 20.9543
90; 100.391; 90
3382.2Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei
Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization
ACS Catalysis, 2016, 6, 176
4513760 CIFC36 H44 Gd N O Si2P 1 21/c 116.5847; 9.9933; 21.0068
90; 100.271; 90
3425.8Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei
Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization
ACS Catalysis, 2016, 6, 176
4513761 CIFC36 H44 N Nd O Si2P 1 21/c 116.5572; 10.0221; 21.0296
90; 100.37; 90
3432.6Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei
Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization
ACS Catalysis, 2016, 6, 176
4513762 CIFC31 H44 N O Pr Si2P 1 21/c 114.6913; 11.3369; 19.4321
90; 95.729; 90
3220.3Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei
Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization
ACS Catalysis, 2016, 6, 176
4513779 CIFC18 H22 Cl N3 NiP 1 21/c 117.067; 10.4806; 18.8193
90; 95.005; 90
3353.4Perez Garcia, Pablo M.; Di Franco, Thomas; Epenoy, Alexandre; Scopelliti, Rosario; Hu, Xile
From Dimethylamine to Pyrrolidine: The Development of an Improved Nickel Pincer Complex for Cross-Coupling of Nonactivated Secondary Alkyl Halides
ACS Catalysis, 2016, 6, 258
4513780 CIFC15 H13 Br N2 O3 SP 18.9143; 10.0383; 10.4508
106.994; 96.214; 108.761
825.44Li, Yi; Yu, Yue-Na; Xu, Ming-Hua
Simple Open-Chain Phosphite-Olefin as Ligand for Rh-Catalyzed Asymmetric Arylation of Cyclic Ketimines: Enantioselective Access to gem-Diaryl α-Amino Acid Derivatives
ACS Catalysis, 2016, 6, 661
4513781 CIFC14 H13 N3P b c a6.9469; 15.845; 20.914
90; 90; 90
2302.1Zhou, Xukai; Yu, Songjie; Kong, Lingheng; Li, Xingwei
Rhodium(III)-Catalyzed Coupling of Arenes with Cyclopropanols via C‒H Activation and Ring Opening
ACS Catalysis, 2016, 6, 647
4513782 CIFC46 H45 B Cl F4 Fe N2 O P2P 21 21 218.2664; 21.4148; 10.4443
90; 90; 90
4085.5Zuo, Weiwei; Prokopchuk, Demyan E.; Lough, Alan J.; Morris, Robert H.
Details of the Mechanism of the Asymmetric Transfer Hydrogenation of Acetophenone Using the Amine(imine)diphosphine Iron Precatalyst: The Base Effect and The Enantiodetermining Step
ACS Catalysis, 2016, 6, 301
4513783 CIFC45 H43 Cl Fe N2 O P2P 21 21 2111.0847; 13.0101; 27.0865
90; 90; 90
3906.2Zuo, Weiwei; Prokopchuk, Demyan E.; Lough, Alan J.; Morris, Robert H.
Details of the Mechanism of the Asymmetric Transfer Hydrogenation of Acetophenone Using the Amine(imine)diphosphine Iron Precatalyst: The Base Effect and The Enantiodetermining Step
ACS Catalysis, 2016, 6, 301
4513784 CIFC27 H38 B Br O3P 32 2 113.3911; 13.3911; 26.1903
90; 90; 120
4067.28Jarava-Barrera, Carlos; Parra, Alejandro; López, Aurora; Cruz-Acosta, Fabio; Collado-Sanz, Daniel; Cárdenas, Diego J; Tortosa, Mariola
Copper-Catalyzed Borylative Aromatization of p-Quinone Methides: Enantioselective Synthesis of Dibenzylic Boronates.
ACS catalysis, 2016, 6, 442-446
4513793 CIFC43 H44 O5.5 PP 1 21 115.3957; 31.578; 17.2918
90; 111.265; 90
7834.3Momiyama, Norie; Funayama, Kosuke; Noda, Hirofumi; Yamanaka, Masahiro; Akasaka, Naohiko; Ishida, Shintaro; Iwamoto, Takeaki; Terada, Masahiro
Hydrogen Bonds-Enabled Design of aC1-Symmetric Chiral Brønsted Acid Catalyst
ACS Catalysis, 2016, 6, 949
4513794 CIFC112 H91 F12 N O16 P4P 31 2 124.1287; 24.1287; 33.801
90; 90; 120
17042.3Momiyama, Norie; Funayama, Kosuke; Noda, Hirofumi; Yamanaka, Masahiro; Akasaka, Naohiko; Ishida, Shintaro; Iwamoto, Takeaki; Terada, Masahiro
Hydrogen Bonds-Enabled Design of aC1-Symmetric Chiral Brønsted Acid Catalyst
ACS Catalysis, 2016, 6, 949
4513795 CIFC18 H19 N3 O3P 1 21/n 110.383; 10.981; 14.706
90; 106.941; 90
1604Zeng, Rong; Chen, Peng-Hao; Dong, Guangbin
Efficient Benzimidazolidinone Synthesis via Rhodium-Catalyzed Double-Decarbonylative C-C Activation/Cycloaddition between Isatins and Isocyanates.
ACS catalysis, 2016, 6, 969-973
4513796 CIFC20 H16 F N3 OP 1 21/c 113.206; 7.219; 17.366
90; 102.062; 90
1619Zeng, Rong; Chen, Peng-Hao; Dong, Guangbin
Efficient Benzimidazolidinone Synthesis via Rhodium-Catalyzed Double-Decarbonylative C-C Activation/Cycloaddition between Isatins and Isocyanates.
ACS catalysis, 2016, 6, 969-973
4513797 CIFC24 H34 F6 Mn N4 O8 S2P 1 21/c 118.0992; 9.65395; 19.7948
90; 110.024; 90
3249.64Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.
Enantioselective Epoxidations of Olefins with Various Oxidants on Bioinspired Mn Complexes: Evidence for Different Mechanisms and Chiral Additive Amplification
ACS Catalysis, 2016, 6, 979
4513798 CIFC18 H10 F3 N O2P 1 21/n 17.3858; 11.7473; 16.1486
90; 97.962; 90
1387.6Yao, Ruwei; Rong, Guangwei; Yan, Bin; Qiu, Lihua; Xu, Xinfang
Dual-Functionalization of Alkynes via Copper-Catalyzed Carbene/Alkyne Metathesis: A Direct Access to the 4-Carboxyl Quinolines
ACS Catalysis, 2016, 6, 1024
4513799 CIFC22 H13 N O2P 1 21/c 16.1061; 22.232; 11.7017
90; 95.582; 90
1581Yao, Ruwei; Rong, Guangwei; Yan, Bin; Qiu, Lihua; Xu, Xinfang
Dual-Functionalization of Alkynes via Copper-Catalyzed Carbene/Alkyne Metathesis: A Direct Access to the 4-Carboxyl Quinolines
ACS Catalysis, 2016, 6, 1024
4513801 CIFC23 H21 F2 N OP 1 21 111.6562; 21.5144; 16.1302
90; 102.368; 90
3951.19Momiyama, Norie; Okamoto, Hiroshi; Kikuchi, Jun; Korenaga, Toshinobu; Terada, Masahiro
Perfluorinated Aryls in the Design of Chiral Brønsted Acid Catalysts: Catalysis of Enantioselective [4 + 2] Cycloadditions and Ene Reactions of Imines with Alkenes by Chiral Mono-Phosphoric Acids with Perfluoroaryls
ACS Catalysis, 2016, 6, 1198
4513802 CIFC30 H41 Al Br2 N2 O3P 1 21/n 111.4113; 21.0276; 12.5491
90; 93.583; 90
3005.3Marlier, Elodie E.; Macaranas, Joahanna A.; Marell, Daniel J.; Dunbar, Christine R.; Johnson, Michelle A.; DePorre, Yvonne; Miranda, Maria O.; Neisen, Benjamin D.; Cramer, Christopher J.; Hillmyer, Marc A.; Tolman, William B.
Mechanistic Studies of ε-Caprolactone Polymerization by (salen)AlOR Complexes and a Predictive Model for Cyclic Ester Polymerizations.
ACS catalysis, 2016, 6, 1215-1224
4513803 CIFC42 H40 N2 O P2 RuP 1 21/c 19.894; 19.922; 22.901
90; 103.78; 90
4384.1Pan, Bing; Liu, Bo; Yue, Erlin; Liu, Qingbin; Yang, Xinzheng; Wang, Zheng; Sun, Wen-Hua
A Ruthenium Catalyst with Unprecedented Effectiveness for the Coupling Cyclization of γ-Amino Alcohols and Secondary Alcohols
ACS Catalysis, 2016, 6, 1247
4513804 CIFC10 H15 N OP 21 21 216.8744; 8.6699; 15.729
90; 90; 90
937.5Pan, Bing; Liu, Bo; Yue, Erlin; Liu, Qingbin; Yang, Xinzheng; Wang, Zheng; Sun, Wen-Hua
A Ruthenium Catalyst with Unprecedented Effectiveness for the Coupling Cyclization of γ-Amino Alcohols and Secondary Alcohols
ACS Catalysis, 2016, 6, 1247
4513806 CIFC31 H33 Fe P SP 1 21 18.6051; 8.456; 18.6229
90; 96.947; 90
1345.14Ogasawara, Masamichi; Arae, Sachie; Watanabe, Susumu; Nakajima, Kiyohiko; Takahashi, Tamotsu
Kinetic Resolution of Planar-Chiral Ferrocenylphosphine Derivatives by Molybdenum-Catalyzed Asymmetric Ring-Closing Metathesis and Their Application in Asymmetric Catalysis
ACS Catalysis, 2016, 6, 1308
4513807 CIFC26 H21 NP -18.219; 10.1031; 12.1768
86.213; 78.34; 86.602
987.01Borie, Cyril; Vanthuyne, Nicolas; Bertrand, Michèle P.; Siri, Didier; Nechab, Malek
Palladium Tandem Catalysis in the Atropodiastereoselective Synthesis of Indenes Bearing Central and Axial Chirality
ACS Catalysis, 2016, 6, 1559
4513808 CIFC14 H17 N O3 SP -16.1084; 14.9045; 15.5068
85.229; 81.551; 83.644
1384.7Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier
Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams
ACS Catalysis, 2016, 6, 1565
4513809 CIFC22 H23 N O3 SP 1 21/n 19.51; 13.531; 15.5036
90; 101.853; 90
1952.46Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier
Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams
ACS Catalysis, 2016, 6, 1565
4513810 CIFC12 H13 N O3 SP -17.4674; 8.2917; 10.159
84.506; 89.933; 69.136
584.71Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier
Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams
ACS Catalysis, 2016, 6, 1565

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