Crystallography Open Database

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4513766 CIFC20 H26 Cl F6 N3 P RhA e a 228.458; 12.7428; 13.1834
90; 90; 90
4780.8Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta
Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules
ACS Catalysis, 2015, 709
4513767 CIFC23 H31 Cl N3 RhR -3 :H21.5542; 21.5542; 26.557
90; 90; 120
10685Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta
Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules
ACS Catalysis, 2015, 709
4513768 CIFC28 H36 Cl F6 N3 P RhP c a 2116.0545; 7.2176; 24.4803
90; 90; 90
2836.65Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta
Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules
ACS Catalysis, 2015, 709
4513769 CIFC23 H18 F6 N3 PC 1 2/c 115.136; 8.965; 32.085
90; 102; 90
4259Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta
Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules
ACS Catalysis, 2015, 709
4513770 CIFC19 H18 F6 N3 PP 1 21/c 18.3203; 17.1518; 13.0268
90; 96.731; 90
1846.22Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta
Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C–H Activation of Chelating Molecules
ACS Catalysis, 2015, 709
4513771 CIFC28 H28 Cl2 F6 N3 PP 1 21/n 19.3435; 25.7949; 12.1804
90; 95.655; 90
2921.4Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta
Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C–H Activation of Chelating Molecules
ACS Catalysis, 2015, 709
4513772 CIFC22 H30 F3 N3 O3 SP 1 21/c 18.7885; 23.335; 11.5049
90; 97.583; 90
2338.8Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta
Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C–H Activation of Chelating Molecules
ACS Catalysis, 2015, 709
4513773 CIFC29 H23 F6 N4 PP 1 21/c 112.1221; 9.8286; 21.8422
90; 93.81; 90
2596.6Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta
Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C–H Activation of Chelating Molecules
ACS Catalysis, 2015, 709
4513774 CIFC21 H24 F6 N3 PP 1 21/c 18.0991; 11.7222; 22.981
90; 109.173; 90
2060.8Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta
Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C–H Activation of Chelating Molecules
ACS Catalysis, 2015, 709
4513775 CIFC22 H24 F6 N3 PP 1 21/c 113.3734; 11.2225; 15.731
90; 114.074; 90
2155.6Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta
Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C–H Activation of Chelating Molecules
ACS Catalysis, 2015, 709
4513776 CIFC37 H28 F6 N3 PP b c a19.6256; 13.0146; 25.6519
90; 90; 90
6552Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta
Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C–H Activation of Chelating Molecules
ACS Catalysis, 2015, 709
4513777 CIFC27 H24 F6 N3 PP -110.4464; 10.5483; 13.2843
89.215; 69.09; 66.286
1237.45Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta
Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C–H Activation of Chelating Molecules
ACS Catalysis, 2015, 709
4513778 CIFC18 H26 F6 N3 PP 1 21/c 18.1489; 17.045; 15.403
90; 101.334; 90
2097.7Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta
Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C–H Activation of Chelating Molecules
ACS Catalysis, 2015, 709
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
4513805 CIFC11 H11 N OP 1 21/n 17.5306; 6.1547; 20.6613
90; 91.838; 90
957.13Wu, Jin-Ji; Li, Yinwu; Zhou, Hai-Yun; Wen, A-Hao; Lun, Chu-Chu; Yao, Su-Yang; Ke, Zhuofeng; Ye, Bao-Hui
Copper-Catalyzed Carbamoylation of Terminal Alkynes with Formamides via Cross-Dehydrogenative Coupling
ACS Catalysis, 2016, 1263
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
4513811 CIFC22 H17 N O3 SP 1 21/n 110.3225; 20.9863; 16.6431
90; 95.815; 90
3586.9Espinosa-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
4513812 CIFC22 H17 N O3 SP -18.5582; 10.1474; 11.3665
114.204; 92.3803; 95.0132
893.63Espinosa-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
4513813 CIFC13 H15 N O3 SP 1 21/c 115.7908; 6.1888; 13.6788
90; 106.523; 90
1281.57Espinosa-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
4513814 CIFC13 H15 N O3 SP 21 21 216.4715; 12.2935; 16.0625
90; 90; 90
1277.89Espinosa-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
4513815 CIFC17 H17 N3 OP 1 21 18.6937; 8.2505; 9.8923
90; 96.8229; 90
704.524Singh, Manish K.; Akula, Hari K.; Satishkumar, Sakilam; Stahl, Lothar; Lakshman, Mahesh K.
Ruthenium-Catalyzed C-H Bond Activation Approach to Azolyl Aminals and Hemiaminal Ethers, Mechanistic Evaluations, and Isomer Interconversion.
ACS catalysis, 2016, 6, 1921-1928
4513816 CIFC33 H27 F2 N O4P -17.9794; 12.355; 27.87
83.268; 84.119; 89.549
2714.2Wang, Qiang; Li, Yingzi; Qi, Zisong; Xie, Fang; Lan, Yu; Li, Xingwei
Rhodium(III)-Catalyzed Annulation betweenN-Sulfinyl Ketoimines and Activated Olefins: C‒H Activation Assisted by an Oxidizing N‒S Bond
ACS Catalysis, 2016, 6, 1971
4513817 CIFC63 H53 B Cl N4 O3 P RuP 1 21/c 110.0715; 28.3272; 21.8875
90; 92.226; 90
6239.7Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.
Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals
ACS Catalysis, 2016, 6, 1981
4513818 CIFC38 H36 Cl F6 N3 O4 P2 RuP 1 21/n 114.0112; 9.7442; 27.2179
90; 94.215; 90
3706Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.
Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals
ACS Catalysis, 2016, 6, 1981
4513819 CIFC21 H29 Cl F6 N3 O2 P3 RuP 1 21/n 112.1467; 17.3624; 12.8848
90; 90.182; 90
2717.3Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.
Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals
ACS Catalysis, 2016, 6, 1981
4513820 CIFC33 H26 Cl2 N3 O2 P RuP 1 21/n 111.6136; 17.269; 14.4146
90; 90.128; 90
2890.9Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.
Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals
ACS Catalysis, 2016, 6, 1981
4513821 CIFC69 H53 N6 O5 P2 Ru2C 1 2/c 138.209; 13.4891; 24.3071
90; 118.199; 90
11041.1Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.
Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals
ACS Catalysis, 2016, 6, 1981
4513822 CIFC19 H23 F3 Ir N3 O3 SP 1 21/c 114.9292; 12.2212; 12.2965
90; 109.506; 90
2114.8Lu, Zhiyao; Demianets, Ivan; Hamze, Rasha; Terrile, Nicholas J.; Williams, Travis J.
A Prolific Catalyst for Selective Conversion of Neat Glycerol to Lactic Acid
ACS Catalysis, 2016, 6, 2014
4513823 CIFC27 H31 F3 Ir N3 O3 SP 1 21/c 111.0313; 26.4631; 19.9865
90; 98.415; 90
5771.7Lu, Zhiyao; Demianets, Ivan; Hamze, Rasha; Terrile, Nicholas J.; Williams, Travis J.
A Prolific Catalyst for Selective Conversion of Neat Glycerol to Lactic Acid
ACS Catalysis, 2016, 6, 2014
4513824 CIFC2 H5 Na3 O8C 1 2/c 120.3758; 3.4577; 10.3049
90; 106.491; 90
696.15Lu, Zhiyao; Demianets, Ivan; Hamze, Rasha; Terrile, Nicholas J.; Williams, Travis J.
A Prolific Catalyst for Selective Conversion of Neat Glycerol to Lactic Acid
ACS Catalysis, 2016, 6, 2014

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