Crystallography Open Database

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4514842 CIFC31 H65 K N3 Si6 YP -19.999; 11.964; 19.292
83.01; 85.8; 82.27
2266.1Zhai, Dan-Dan; Du, Hui-Zhen; Zhang, Xiang-Yu; Liu, Yu-Feng; Guan, Bing-Tao
Potassium Yttrium Ate Complexes: Synergistic Effect Enabled Reversible H2 Activation and Catalytic Hydrogenation
ACS Catalysis, 2019, 9, 8766
4514843 CIFC29 H69 K N3 O Si6 YP 1 21/c 111.344; 11.734; 31.997
90; 92.915; 90
4253.6Zhai, Dan-Dan; Du, Hui-Zhen; Zhang, Xiang-Yu; Liu, Yu-Feng; Guan, Bing-Tao
Potassium Yttrium Ate Complexes: Synergistic Effect Enabled Reversible H2 Activation and Catalytic Hydrogenation
ACS Catalysis, 2019, 9, 8766
4514844 CIFC38 H30 F6 N2 O4 Pd S4C 1 2/c 115.336; 10.1947; 24.0955
90; 98.408; 90
3726.7Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.
Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis
ACS Catalysis, 2019, 9, 7626
4514845 CIFC34 H26 Cl2 F6 N2 O4 Pd S4P -19.0381; 10.3207; 10.3832
68.768; 89.673; 88.327
902.4Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.
Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis
ACS Catalysis, 2019, 9, 7626
4514846 CIFC17 H15 N O2 S2C 1 2/c 132.753; 4.888; 23.981
90; 124.967; 90
3146.2Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.
Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis
ACS Catalysis, 2019, 9, 7626
4514847 CIFC22 H23 N O2 S2P -18.6349; 9.3163; 13.5605
70.251; 85.755; 83.165
1018.75Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.
Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis
ACS Catalysis, 2019, 9, 7626
4514848 CIFC22 H24 O6P 1 21/c 119.271; 4.5166; 23.345
90; 107.803; 90
1934.6Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.
Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis
ACS Catalysis, 2019, 9, 7626
4514849 CIFC24 H23 N O4 S2P 1 21/c 115.796; 15.246; 9.849
90; 105.81; 90
2282.17Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.
Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis
ACS Catalysis, 2019, 9, 7626
4514850 CIFC23 H26 O6P -19.7261; 10.89; 11.528
65.75; 69.528; 86.877
1037.3Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.
Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis
ACS Catalysis, 2019, 9, 7626
4514851 CIFC23 H19 N S2P 1 21/n 110.584; 4.346; 40.473
90; 95.273; 90
1853.8Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.
Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis
ACS Catalysis, 2019, 9, 7626
4514852 CIFC20 H18 F N O2 S2P -17.0055; 10.2801; 13.131
79.22; 84.888; 80.238
913.91Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.
Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis
ACS Catalysis, 2019, 9, 7626
4514853 CIFC24 H32 O10P 1 21 111.2; 5.0559; 11.554
90; 115.351; 90
591.25Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.
Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis
ACS Catalysis, 2019, 9, 7626
4514854 CIFC28 H25 N O4 S2P -18.4844; 12.3314; 12.7997
112.337; 94.171; 98.558
1212.59Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.
Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis
ACS Catalysis, 2019, 9, 7626
4514855 CIFC19 H16 Cl N O2 S2P -16.5696; 10.4589; 13.1664
79.911; 84.189; 81.356
877.96Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.
Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis
ACS Catalysis, 2019, 9, 7626
4514856 CIFC23 H19 N O2 S3P 1 21/n 16.9999; 10.6761; 27.063
90; 92.75; 90
2020.1Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.
Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis
ACS Catalysis, 2019, 9, 7626
4514857 CIFC23 H17 Br N2P 1 21 111.03; 5.7133; 14.591
90; 92.925; 90
918.3Hatano, Manabu; Nishio, Kosuke; Mochizuki, Takuya; Nishikawa, Keisuke; Ishihara, Kazuaki
Highly Active Chiral Dilithium(I) Binaphthyldisulfonate Catalysts for Enantio- and Chemoselective Strecker-Type Reactions
ACS Catalysis, 2019, 9, 8178
4514858 CIFC20 H19 N O3 SP 1 21/c 18.2877; 14.334; 14.903
90; 103.09; 90
1724.4Liu, Jibing; Chakraborty, Pushkin; Zhang, Heng; Zhong, Liang; Wang, Zhi-Xiang; Huang, Xueliang
Gold-Catalyzed Atom-Economic Synthesis of Sulfone-Containing Pyrrolo[2,1-a]isoquinolines from Diynamides: Evidence for Consecutive Sulfonyl Migration
ACS Catalysis, 2019, 9, 2610
4514859 CIFC17 H19 N O6 SP 1 21/c 17.5531; 28.802; 8.5314
90; 113.57; 90
1701.1Liu, Jibing; Chakraborty, Pushkin; Zhang, Heng; Zhong, Liang; Wang, Zhi-Xiang; Huang, Xueliang
Gold-Catalyzed Atom-Economic Synthesis of Sulfone-Containing Pyrrolo[2,1-a]isoquinolines from Diynamides: Evidence for Consecutive Sulfonyl Migration
ACS Catalysis, 2019, 9, 2610
4514860 CIFC22 H25 I N2 O2 RuP -18.8149; 10.4274; 12.2762
74.663; 83.855; 77.212
1059.8Kumar, Abhishek; Semwal, Shrivats; Choudhury, Joyanta
Catalytic Conversion of CO2 to Formate with Renewable Hydrogen Donors: An Ambient-Pressure and H2-Independent Strategy
ACS Catalysis, 2019, 9, 2164
4514861 CIFC20 H14 Cl N OP 18.6566; 11.3426; 16.584
89.235; 77.991; 89.031
1592.41Fan, Xiaozhong; Zhang, Xue; Li, Chunyu; Gu, Zhenhua
Enantioselective Atropisomeric Anilides Synthesis via Cu-Catalyzed Intramolecular Adjacent C–N Coupling
ACS Catalysis, 2019, 9, 2286
4514862 CIFC28 H32 N2 O2P 1 21/c 113.969; 27.1371; 6.25424
90; 99.738; 90
2336.69Wu, Xiao; Chen, Chentuo; Guo, Ziyang; North, Michael; Whitwood, Adrian C.
Metal- and Halide-Free Catalyst for the Synthesis of Cyclic Carbonates from Epoxides and Carbon Dioxide
ACS Catalysis, 2019, 9, 1895
4514863 CIFC13 H12 Br Mn N2 O4P 1 21/c 111.071; 10.4143; 13.4557
90; 105.015; 90
1498.43Steinlechner, Christoph; Roesel, Arend F.; Oberem, Elisabeth; Päpcke, Ayla; Rockstroh, Nils; Gloaguen, Frédéric; Lochbrunner, Stefan; Ludwig, Ralf; Spannenberg, Anke; Junge, Henrik; Francke, Robert; Beller, Matthias
Selective Earth-Abundant System for CO2 Reduction: Comparing Photo- and Electrocatalytic Processes
ACS Catalysis, 2019, 9, 2091
4514864 CIFC15 H10 Br Mn N2 O4P -17.1769; 9.2213; 11.5716
85.6351; 84.0784; 82.509
753.7Steinlechner, Christoph; Roesel, Arend F.; Oberem, Elisabeth; Päpcke, Ayla; Rockstroh, Nils; Gloaguen, Frédéric; Lochbrunner, Stefan; Ludwig, Ralf; Spannenberg, Anke; Junge, Henrik; Francke, Robert; Beller, Matthias
Selective Earth-Abundant System for CO2 Reduction: Comparing Photo- and Electrocatalytic Processes
ACS Catalysis, 2019, 9, 2091
4514865 CIFC17 H13 Br O3P c a 2110.7383; 18.1542; 7.5303
90; 90; 90
1468Zhang, Cheng; Li, Hongli; Pei, Chao; Qiu, Lihua; Hu, Wenhao; Bao, Xiaoguang; Xu, Xinfang
Selective Vinylogous Reactivity of Carbene Intermediate in Gold-Catalyzed Alkyne Carbocyclization: Synthesis of Indenols
ACS Catalysis, 2019, 9, 2440
4514866 CIFC27 H32 O3P 1 21 19.72; 7.5084; 16.171
90; 94.588; 90
1176.4Zhang, Cheng; Li, Hongli; Pei, Chao; Qiu, Lihua; Hu, Wenhao; Bao, Xiaoguang; Xu, Xinfang
Selective Vinylogous Reactivity of Carbene Intermediate in Gold-Catalyzed Alkyne Carbocyclization: Synthesis of Indenols
ACS Catalysis, 2019, 9, 2440
4514867 CIFC18 H12 F3 N3 O3P 1 21/c 110.5383; 19.337; 7.9828
90; 92.029; 90
1625.7Zhang, Cheng; Li, Hongli; Pei, Chao; Qiu, Lihua; Hu, Wenhao; Bao, Xiaoguang; Xu, Xinfang
Selective Vinylogous Reactivity of Carbene Intermediate in Gold-Catalyzed Alkyne Carbocyclization: Synthesis of Indenols
ACS Catalysis, 2019, 9, 2440
4514868 CIFC50 H39 N Ni O P2P -113.3161; 14.0105; 15.2863
72.192; 64.226; 62.74
2262.59Orsino, Alessio F.; Gutiérrez Del Campo, Manuel; Lutz, Martin; Moret, Marc-Etienne
Enhanced Catalytic Activity of Nickel Complexes of an Adaptive Diphosphine-Benzophenone Ligand in Alkyne Cyclotrimerization.
ACS catalysis, 2019, 9, 2458-2481
4514869 CIFC49 H39 N Ni O P2P -19.5744; 11.9148; 18.1503
102.462; 103.789; 97.605
1926.26Orsino, Alessio F.; Gutiérrez Del Campo, Manuel; Lutz, Martin; Moret, Marc-Etienne
Enhanced Catalytic Activity of Nickel Complexes of an Adaptive Diphosphine-Benzophenone Ligand in Alkyne Cyclotrimerization.
ACS catalysis, 2019, 9, 2458-2481
4514870 CIFC54 H47 Ni P3P 1 21/c 120.6558; 9.9242; 22.517
90; 109.612; 90
4348Orsino, Alessio F.; Gutiérrez Del Campo, Manuel; Lutz, Martin; Moret, Marc-Etienne
Enhanced Catalytic Activity of Nickel Complexes of an Adaptive Diphosphine-Benzophenone Ligand in Alkyne Cyclotrimerization.
ACS catalysis, 2019, 9, 2458-2481
4514871 CIFC54.5 H46 Ni O P2P -110.3659; 14.4217; 16.331
102.781; 99.4257; 110.567
2149.77Orsino, Alessio F.; Gutiérrez Del Campo, Manuel; Lutz, Martin; Moret, Marc-Etienne
Enhanced Catalytic Activity of Nickel Complexes of an Adaptive Diphosphine-Benzophenone Ligand in Alkyne Cyclotrimerization.
ACS catalysis, 2019, 9, 2458-2481
4514872 CIFC210 H154 Br2 Cu6 F18 N30 O24P -115.8225; 19.4848; 21.1157
70.092; 81.078; 72.501
5827.6Prakasam, Thirumurugan; Devaraj, Anthonisamy; Saha, Rupak; Lusi, Matteo; Brandel, Jeremy; Esteban-Gómez, David; Platas-Iglesias, Carlos; Olson, Mark Anthony; Mukherjee, Partha Sarathi; Trabolsi, Ali
Metal‒Organic Self-Assembled Trefoil Knots for C—Br Bond Activation
ACS Catalysis, 2019, 9, 1907
4514873 CIFC18 H28 O2P 315.378; 15.378; 5.9449
90; 90; 120
1217.5Yang, Junfeng; Sun, Qiao; Yoshikai, Naohiko
Cobalt-Catalyzed Regio- and Diastereoselective Formal [3 + 2] Cycloaddition between Cyclopropanols and Allenes
ACS Catalysis, 2019, 9, 1973
4514874 CIFC19 H26 OI -4 c 215.4852; 15.4852; 26.1457
90; 90; 90
6269.5Yang, Junfeng; Sun, Qiao; Yoshikai, Naohiko
Cobalt-Catalyzed Regio- and Diastereoselective Formal [3 + 2] Cycloaddition between Cyclopropanols and Allenes
ACS Catalysis, 2019, 9, 1973
4514875 CIFC21 H22 OP 1 21/n 18.787; 11.718; 14.849
90; 95.361; 90
1522.3Yang, Junfeng; Sun, Qiao; Yoshikai, Naohiko
Cobalt-Catalyzed Regio- and Diastereoselective Formal [3 + 2] Cycloaddition between Cyclopropanols and Allenes
ACS Catalysis, 2019, 9, 1973
4514876 CIFC20 H19 N3 O2P 21 21 217.1039; 11.823; 19.698
90; 90; 90
1654.4Zhang, Lin-Bao; Zhu, Ming-Hui; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming
Silver-Mediated Indole (4 + 2) Dearomative Annulation with N-Radicals: A Strategy To Construct Heterocycle-Fused Indolines
ACS Catalysis, 2019, 9, 1680
4514877 CIFC27 H31 O2 SiC 1 2/c 127.6888; 8.415; 21.6977
90; 90.427; 90
5055.5Zhang, Shuo; Yao, Qi-Jun; Liao, Gang; Li, Xin; Li, Han; Chen, Hao-Ming; Hong, Xin; Shi, Bing-Feng
Enantioselective Synthesis of Atropisomers Featuring Pentatomic Heteroaromatics by Pd-Catalyzed C‒H Alkynylation
ACS Catalysis, 2019, 9, 1956
4514878 CIFC30 H32 O S SiP 21 21 2110.8692; 13.9222; 17.5154
90; 90; 90
2650.49Zhang, Shuo; Yao, Qi-Jun; Liao, Gang; Li, Xin; Li, Han; Chen, Hao-Ming; Hong, Xin; Shi, Bing-Feng
Enantioselective Synthesis of Atropisomers Featuring Pentatomic Heteroaromatics by Pd-Catalyzed C–H Alkynylation
ACS Catalysis, 2019, 9, 1956
4514879 CIFC32 H33 N O SiP 1 21 17.3547; 43.2835; 8.7345
90; 93.821; 90
2774.3Zhang, Shuo; Yao, Qi-Jun; Liao, Gang; Li, Xin; Li, Han; Chen, Hao-Ming; Hong, Xin; Shi, Bing-Feng
Enantioselective Synthesis of Atropisomers Featuring Pentatomic Heteroaromatics by Pd-Catalyzed C–H Alkynylation
ACS Catalysis, 2019, 9, 1956
4514880 CIFC23 H30 Br Mn N2 O9 P2P -111.5014; 12.237; 12.4559
61.15; 71.428; 73.307
1436.6Woo, Sung-Jun; Choi, Sunghan; Kim, So-Yoen; Kim, Pil Soo; Jo, Ju Hyoung; Kim, Chul Hoon; Son, Ho-Jin; Pac, Chyongjin; Kang, Sang Ook
Highly Selective and Durable Photochemical CO2 Reduction by Molecular Mn(I) Catalyst Fixed on a Particular Dye-Sensitized TiO2 Platform
ACS Catalysis, 2019, 9, 2580
4514881 CIFC17 H16 Br2 O5P 1 21/c 120.647; 10.3884; 17.2385
90; 114.021; 90
3377.26Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao
Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy
ACS Catalysis, 2019, 9, 1645
4514882 CIFC17 H15 Cl O5P 1 21 16.1976; 17.271; 7.158
90; 103.688; 90
744.4Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao
Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy
ACS Catalysis, 2019, 9, 1645
4514883 CIFC30 H25 Br N2 O5P 1 21 111.584; 7.7058; 15.1367
90; 109.376; 90
1274.63Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao
Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy
ACS Catalysis, 2019, 9, 1645
4514884 CIFC11 H12 O5P 21 21 216.0801; 8.1103; 22.242
90; 90; 90
1096.8Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao
Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy
ACS Catalysis, 2019, 9, 1645
4514885 CIFC33 H33 N3 O8 SP 21 21 218.7971; 17.2916; 20.3839
90; 90; 90
3100.7Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao
Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy
ACS Catalysis, 2019, 9, 1645
4514886 CIFC27 H26 Cl N O7P 1 21/c 16.2963; 32.789; 11.523
90; 100.644; 90
2338Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao
Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy
ACS Catalysis, 2019, 9, 1645
4514887 CIFC11 H12 O5C 1 c 16.0855; 12.683; 13.554
90; 93.29; 90
1044.4Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao
Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy
ACS Catalysis, 2019, 9, 1645
4514888 CIFC28 H26 F6 N2 O8P 21 21 2111.7248; 13.6488; 19.0159
90; 90; 90
3043.1Sletten, Eric T.; Tu, Yi-Jung; Schlegel, H. Bernhard; Nguyen, Hien M.
Are Brønsted Acids the True Promoter of Metal-Triflate-Catalyzed Glycosylations? A Mechanistic Probe into 1,2-cis-Aminoglycoside Formation by Nickel Triflate
ACS Catalysis, 2019, 9, 2110
4514889 CIFC16 H12 Cl N SP n a 217.6912; 23.747; 7.518
90; 90; 90
1373.1Wang, Huamin; Li, Yongli; Lu, Qingquan; Yu, Mingming; Bai, Xudong; Wang, Shengchun; Cong, Hengjiang; Zhang, Heng; Lei, Aiwen
Oxidation-Induced β-Selective C–H Bond Functionalization: Thiolation and Selenation of N-Heterocycles
ACS Catalysis, 2019, 9, 1888
4515457 CIFC27 H25 NP -111.627; 11.659; 15.889
85.73; 77.49; 69.54
1970.1Tian, Jun-Jie; Zeng, Ning-Ning; Liu, Ning; Tu, Xian-Shuang; Wang, Xiao-Chen
Intramolecular Cyclizations of Vinyl-Substituted N,N-Dialkyl Arylamines Enabled by Borane-Assisted Hydride Transfer
ACS Catalysis, 2018, 9, 295
4515458 CIFC25 H19 Br Mn N2 O2 PP 1 21/c 112.9669; 13.874; 12.3572
90; 93.057; 90
2219.93Das, Uttam Kumar; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David
Dehydrogenative Cross-Coupling of Primary Alcohols To Form Cross-Esters Catalyzed by a Manganese Pincer Complex
ACS Catalysis, 2018, 9, 479

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