Crystallography Open Database
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Searching journal of publication like 'ACS Catalysis'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
4514869 | CIF | C49 H39 N Ni O P2 | P -1 | 9.5744; 11.9148; 18.1503 102.462; 103.789; 97.605 | 1926.26 | Orsino, 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 | CIF | C54 H47 Ni P3 | P 1 21/c 1 | 20.6558; 9.9242; 22.517 90; 109.612; 90 | 4348 | Orsino, 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 | CIF | C54.5 H46 Ni O P2 | P -1 | 10.3659; 14.4217; 16.331 102.781; 99.4257; 110.567 | 2149.77 | Orsino, 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 | CIF | C210 H154 Br2 Cu6 F18 N30 O24 | P -1 | 15.8225; 19.4848; 21.1157 70.092; 81.078; 72.501 | 5827.6 | Prakasam, 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 | CIF | C18 H28 O2 | P 3 | 15.378; 15.378; 5.9449 90; 90; 120 | 1217.5 | Yang, Junfeng; Sun, Qiao; Yoshikai, Naohiko Cobalt-Catalyzed Regio- and Diastereoselective Formal [3 + 2] Cycloaddition between Cyclopropanols and Allenes ACS Catalysis, 2019, 9, 1973 |
4514874 | CIF | C19 H26 O | I -4 c 2 | 15.4852; 15.4852; 26.1457 90; 90; 90 | 6269.5 | Yang, Junfeng; Sun, Qiao; Yoshikai, Naohiko Cobalt-Catalyzed Regio- and Diastereoselective Formal [3 + 2] Cycloaddition between Cyclopropanols and Allenes ACS Catalysis, 2019, 9, 1973 |
4514875 | CIF | C21 H22 O | P 1 21/n 1 | 8.787; 11.718; 14.849 90; 95.361; 90 | 1522.3 | Yang, Junfeng; Sun, Qiao; Yoshikai, Naohiko Cobalt-Catalyzed Regio- and Diastereoselective Formal [3 + 2] Cycloaddition between Cyclopropanols and Allenes ACS Catalysis, 2019, 9, 1973 |
4514876 | CIF | C20 H19 N3 O2 | P 21 21 21 | 7.1039; 11.823; 19.698 90; 90; 90 | 1654.4 | Zhang, 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 | CIF | C27 H31 O2 Si | C 1 2/c 1 | 27.6888; 8.415; 21.6977 90; 90.427; 90 | 5055.5 | Zhang, 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 | CIF | C30 H32 O S Si | P 21 21 21 | 10.8692; 13.9222; 17.5154 90; 90; 90 | 2650.49 | Zhang, 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 | CIF | C32 H33 N O Si | P 1 21 1 | 7.3547; 43.2835; 8.7345 90; 93.821; 90 | 2774.3 | Zhang, 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 | CIF | C23 H30 Br Mn N2 O9 P2 | P -1 | 11.5014; 12.237; 12.4559 61.15; 71.428; 73.307 | 1436.6 | Woo, 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 | CIF | C17 H16 Br2 O5 | P 1 21/c 1 | 20.647; 10.3884; 17.2385 90; 114.021; 90 | 3377.26 | Gao, 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 | CIF | C17 H15 Cl O5 | P 1 21 1 | 6.1976; 17.271; 7.158 90; 103.688; 90 | 744.4 | Gao, 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 | CIF | C30 H25 Br N2 O5 | P 1 21 1 | 11.584; 7.7058; 15.1367 90; 109.376; 90 | 1274.63 | Gao, 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 | CIF | C11 H12 O5 | P 21 21 21 | 6.0801; 8.1103; 22.242 90; 90; 90 | 1096.8 | Gao, 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 | CIF | C33 H33 N3 O8 S | P 21 21 21 | 8.7971; 17.2916; 20.3839 90; 90; 90 | 3100.7 | Gao, 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 | CIF | C27 H26 Cl N O7 | P 1 21/c 1 | 6.2963; 32.789; 11.523 90; 100.644; 90 | 2338 | Gao, 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 | CIF | C11 H12 O5 | C 1 c 1 | 6.0855; 12.683; 13.554 90; 93.29; 90 | 1044.4 | Gao, 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 | CIF | C28 H26 F6 N2 O8 | P 21 21 21 | 11.7248; 13.6488; 19.0159 90; 90; 90 | 3043.1 | Sletten, 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 | CIF | C16 H12 Cl N S | P n a 21 | 7.6912; 23.747; 7.518 90; 90; 90 | 1373.1 | Wang, 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 |
4514890 | CIF | C20 H39 Mn O3 P2 | P 1 21/n 1 | 11.654; 14.455; 13.866 90; 98.639; 90 | 2309.3 | Weber, Stefan; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl Rethinking Basic Concepts—Hydrogenation of Alkenes Catalyzed by Bench-Stable Alkyl Mn(I) Complexes ACS Catalysis, 2019, 9715 |
4514891 | CIF | C92 H121.28 F24 Fe4 N24.43 O27 S8 | P 1 21/n 1 | 31.69; 12.063; 34.405 90; 109.475; 90 | 12400 | Zott, Michael D.; Garrido-Barros, Pablo; Peters, Jonas C. Electrocatalytic Ammonia Oxidation Mediated by a Polypyridyl Iron Catalyst ACS Catalysis, 2019, 10101 |
4514892 | CIF | C12 H18 Al Cl9 Ga2 N6 | P 21 21 21 | 10.0468; 14.4215; 20.9082 90; 90; 90 | 3029.4 | Li, Kai; Choudhary, Hemant; Mishra, Manish Kumar; Rogers, Robin D. Enhanced Acidity and Activity of Aluminum/Gallium-Based Ionic Liquids Resulting from Dynamic Anionic Speciation ACS Catalysis, 2019, 9789 |
4514893 | CIF | C28 H29 N O3 | P b c a | 19.6581; 8.4966; 27.1209 90; 90; 90 | 4529.9 | Thopate, Satish B.; Jadhav, Sandip B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu Stereoselective Desymmetrization of Cyclohexadienone-Tethered Enones: Efficient Access to Highly Strained Polycyclic Indoles ACS Catalysis, 2019, 10012 |
4514894 | CIF | C19 H30 O3 | I 1 2 1 | 10.013; 7.4903; 22.9488 90; 98.688; 90 | 1701.42 | Li, Junqi; Grosslight, Samantha; Miller, Scott J.; Sigman, Matthew S.; Toste, F. Dean Site-Selective Acylation of Natural Products with BINOL-Derived Phosphoric Acids ACS Catalysis, 2019, 9794 |
4514895 | CIF | C21 H22 B P | P b c a | 10.8454; 15.0719; 21.848 90; 90; 90 | 3571.29 | Jin, Shengfei; Haug, Graham C.; Nguyen, Vu T.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V. Decarboxylative Phosphine Synthesis: Insights into the Catalytic, Autocatalytic, and Inhibitory Roles of Additives and Intermediates ACS Catalysis, 2019, 9764 |
4514896 | CIF | C38 H46 Cl2 P2 Pd | P -1 | 9.4779; 9.5662; 11.438 69.891; 65.634; 67.434 | 850.88 | Jin, Shengfei; Haug, Graham C.; Nguyen, Vu T.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V. Decarboxylative Phosphine Synthesis: Insights into the Catalytic, Autocatalytic, and Inhibitory Roles of Additives and Intermediates ACS Catalysis, 2019, 9764 |
4514897 | CIF | C19 H26 B P | P 1 21/n 1 | 9.4514; 18.192; 9.7634 90; 90.35; 90 | 1678.69 | Jin, Shengfei; Haug, Graham C.; Nguyen, Vu T.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V. Decarboxylative Phosphine Synthesis: Insights into the Catalytic, Autocatalytic, and Inhibitory Roles of Additives and Intermediates ACS Catalysis, 2019, 9764 |
4514898 | CIF | C21 H22 B P | P 1 21/c 1 | 8.0198; 15.1635; 14.6975 90; 95.659; 90 | 1778.63 | Jin, Shengfei; Haug, Graham C.; Nguyen, Vu T.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V. Decarboxylative Phosphine Synthesis: Insights into the Catalytic, Autocatalytic, and Inhibitory Roles of Additives and Intermediates ACS Catalysis, 2019, 9764 |
4514899 | CIF | C27 H32 N2 O7 | P 31 | 19.4343; 19.4343; 6.0779 90; 90; 120 | 1988.03 | Nanjo, Takeshi; Zhang, Xuan; Tokuhiro, Yusuke; Takemoto, Yoshiji Divergent and Scalable Synthesis of α-Hydroxy/Keto-β-amino Acid Analogues by the Catalytic Enantioselective Addition of Glyoxylate Cyanohydrin to Imines ACS Catalysis, 2019, 10087 |
4514900 | CIF | C28 H26 I O4 P | P 21 21 21 | 7.9972; 16.3553; 18.8545 90; 90; 90 | 2466.1 | Duan, Longhui; Zhao, Kun; Wang, Zhonggui; Zhang, Feng-Lian; Gu, Zhenhua Enantioselective Ring-Opening/Oxidative Phosphorylation and P-Transfer Reaction of Cyclic Diaryliodoniums ACS Catalysis, 2019, 9852 |
4514901 | CIF | C28 H27 O2 P | P 1 21 1 | 9.27489; 7.39505; 16.7947 90; 94.7237; 90 | 1148.01 | Duan, Longhui; Zhao, Kun; Wang, Zhonggui; Zhang, Feng-Lian; Gu, Zhenhua Enantioselective Ring-Opening/Oxidative Phosphorylation and P-Transfer Reaction of Cyclic Diaryliodoniums ACS Catalysis, 2019, 9852 |
4514902 | CIF | C24 H27 O2 P | P 21 21 21 | 7.18064; 15.0632; 19.4179 90; 90; 90 | 2100.31 | Duan, Longhui; Zhao, Kun; Wang, Zhonggui; Zhang, Feng-Lian; Gu, Zhenhua Enantioselective Ring-Opening/Oxidative Phosphorylation and P-Transfer Reaction of Cyclic Diaryliodoniums ACS Catalysis, 2019, 9852 |
4514903 | CIF | C22 H35 Cl2 Co N6 O7.5 | P 1 | 13.559; 15.38; 15.989 63.668; 88.605; 74.638 | 2864.8 | Dolui, Dependu; Khandelwal, Shikha; Shaik, Althaf; Gaat, Deepika; Thiruvenkatam, Vijay; Dutta, Arnab Enzyme-Inspired Synthetic Proton Relays Generate Fast and Acid-Stable Cobalt-Based H2 Production Electrocatalysts ACS Catalysis, 2019, 10115 |
4514904 | CIF | C21 H33 Cl2 Co N6 O6 | P 1 21/n 1 | 15.4342; 23.908; 16.1767 90; 117.903; 90 | 5275.2 | Dolui, Dependu; Khandelwal, Shikha; Shaik, Althaf; Gaat, Deepika; Thiruvenkatam, Vijay; Dutta, Arnab Enzyme-Inspired Synthetic Proton Relays Generate Fast and Acid-Stable Cobalt-Based H2 Production Electrocatalysts ACS Catalysis, 2019, 10115 |
4515230 | CIF | C18 H22 Co F6 I N3 Sb | P -1 | 8.4596; 11.7043; 11.7936 94.205; 97.688; 101.396 | 1128.42 | Dutta, Champak; Rana, Samim Sohel; Choudhury, Joyanta Leveraging Metallotropism-Enabled Substrate Activation in Cobalt-Catalyzed Annulation Chemistry: Protic NHC Template Is the Key ACS Catalysis, 2019, 10674 |
4515231 | CIF | C20 H25 Co F12 N4 Sb2 | P 1 21/c 1 | 11.2569; 17.2345; 14.4525 90; 102.365; 90 | 2738.8 | Dutta, Champak; Rana, Samim Sohel; Choudhury, Joyanta Leveraging Metallotropism-Enabled Substrate Activation in Cobalt-Catalyzed Annulation Chemistry: Protic NHC Template Is the Key ACS Catalysis, 2019, 10674 |
4515232 | CIF | C23 H16 F3 N3 O3 S | P -1 | 7.941; 9.4593; 15.292 76.521; 86.356; 65.536 | 1016.05 | Dutta, Champak; Rana, Samim Sohel; Choudhury, Joyanta Leveraging Metallotropism-Enabled Substrate Activation in Cobalt-Catalyzed Annulation Chemistry: Protic NHC Template Is the Key ACS Catalysis, 2019, 10674 |
4515233 | CIF | C19 H24 Cl2 Co I2 N3 | P 1 21/n 1 | 15.637; 8.3901; 17.491 90; 94.402; 90 | 2288 | Dutta, Champak; Rana, Samim Sohel; Choudhury, Joyanta Leveraging Metallotropism-Enabled Substrate Activation in Cobalt-Catalyzed Annulation Chemistry: Protic NHC Template Is the Key ACS Catalysis, 2019, 10674 |
4515234 | CIF | C26 H21 F3 N4 O3 S | P 1 21/c 1 | 14.118; 8.4571; 21.1896 90; 106.515; 90 | 2425.6 | Dutta, Champak; Rana, Samim Sohel; Choudhury, Joyanta Leveraging Metallotropism-Enabled Substrate Activation in Cobalt-Catalyzed Annulation Chemistry: Protic NHC Template Is the Key ACS Catalysis, 2019, 10674 |
4515235 | CIF | C18 H23 N O3 | P b c a | 11.8576; 9.505; 31.686 90; 90; 90 | 3571.2 | Dhungana, Roshan K.; KC, Shekhar; Basnet, Prakash; Aryal, Vivek; Chesley, Lucas J.; Giri, Ramesh Ni(I)-Catalyzed β,δ-Vinylarylation of γ,δ-Alkenyl α-Cyanocarboxylic Esters via Contraction of Transient Nickellacycles ACS Catalysis, 2019, 10887 |
4515236 | CIF | C19 H13 F3 O3 | P 1 21/n 1 | 12.443; 7.738; 16.21 90; 104.113; 90 | 1513.7 | Zeng, Qian; Dong, Kuiyong; Pei, Chao; Dong, Shanliang; Hu, Wenhao; Qiu, Lihua; Xu, Xinfang Divergent Construction of Macrocyclic Alkynes via Catalytic Metal Carbene C(sp2)‒H Insertion and the Buchner Reaction ACS Catalysis, 2019, 10773 |
4515237 | CIF | C18 H15 N O2 | P 1 21/c 1 | 9.4722; 10.8657; 14.4561 90; 106.803; 90 | 1424.3 | Zeng, Qian; Dong, Kuiyong; Pei, Chao; Dong, Shanliang; Hu, Wenhao; Qiu, Lihua; Xu, Xinfang Divergent Construction of Macrocyclic Alkynes via Catalytic Metal Carbene C(sp2)‒H Insertion and the Buchner Reaction ACS Catalysis, 2019, 10773 |
4515238 | CIF | C19 H16 Cl N O2 | P 1 21/n 1 | 8.1685; 19.6127; 19.5534 90; 97.271; 90 | 3107.4 | Zeng, Qian; Dong, Kuiyong; Pei, Chao; Dong, Shanliang; Hu, Wenhao; Qiu, Lihua; Xu, Xinfang Divergent Construction of Macrocyclic Alkynes via Catalytic Metal Carbene C(sp2)‒H Insertion and the Buchner Reaction ACS Catalysis, 2019, 10773 |
4515239 | CIF | C19 H17 N O2 | P 1 21/c 1 | 13.1381; 7.8049; 14.7103 90; 96.826; 90 | 1497.72 | Zeng, Qian; Dong, Kuiyong; Pei, Chao; Dong, Shanliang; Hu, Wenhao; Qiu, Lihua; Xu, Xinfang Divergent Construction of Macrocyclic Alkynes via Catalytic Metal Carbene C(sp2)‒H Insertion and the Buchner Reaction ACS Catalysis, 2019, 10773 |
4515240 | CIF | C19 H17 N O2 | P 1 21/c 1 | 6.2893; 20.9264; 11.5081 90; 98.463; 90 | 1498.1 | Zeng, Qian; Dong, Kuiyong; Pei, Chao; Dong, Shanliang; Hu, Wenhao; Qiu, Lihua; Xu, Xinfang Divergent Construction of Macrocyclic Alkynes via Catalytic Metal Carbene C(sp2)‒H Insertion and the Buchner Reaction ACS Catalysis, 2019, 10773 |
4515241 | CIF | C62 H72 Cu N2 O6 | P -1 | 11.687; 13.565; 18.665 102.623; 92.254; 107.835 | 2731 | Jangir, Ritambhara; Ansari, Mursaleem; Kaleeswaran, Dhananjayan; Rajaraman, Gopalan; Palaniandavar, Mallayan; Murugavel, Ramaswamy Unprecedented Copper(II) Complex with a Topoquinone-like Moiety as a Structural and Functional Mimic for Copper Amine Oxidase: Role of Copper(II) in the Genesis and Amine Oxidase Activity ACS Catalysis, 2019, 10940 |
4515242 | CIF | C42 H50 Cu N2 O2 | F d d d :2 | 21.901; 24.944; 29.952 90; 90; 90 | 16363 | Jangir, Ritambhara; Ansari, Mursaleem; Kaleeswaran, Dhananjayan; Rajaraman, Gopalan; Palaniandavar, Mallayan; Murugavel, Ramaswamy Unprecedented Copper(II) Complex with a Topoquinone-like Moiety as a Structural and Functional Mimic for Copper Amine Oxidase: Role of Copper(II) in the Genesis and Amine Oxidase Activity ACS Catalysis, 2019, 10940 |
4515252 | CIF | C24 H16 N2 O3 | P 1 21 1 | 9.2224; 8.97; 11.92 90; 112.477; 90 | 911.17 | Yang, Xing; Luo, Guoyong; Zhou, Liejin; Liu, Bin; Zhang, Xiaolei; Gao, Hui; Jin, Zhichao; Chi, Yonggui Robin Enantioselective Indole N‒H Functionalization Enabled by Addition of Carbene Catalyst to Indole Aldehyde at Remote Site ACS Catalysis, 2019, 10971 |
4515253 | CIF | C18 H12 N2 O5 S | P -1 | 8.4139; 8.7598; 11.5432 104.951; 108.859; 96.299 | 760.3 | Yang, Xing; Luo, Guoyong; Zhou, Liejin; Liu, Bin; Zhang, Xiaolei; Gao, Hui; Jin, Zhichao; Chi, Yonggui Robin Enantioselective Indole N‒H Functionalization Enabled by Addition of Carbene Catalyst to Indole Aldehyde at Remote Site ACS Catalysis, 2019, 10971 |
4515254 | CIF | C26 H17 F3 N2 O4 S | P 1 21 1 | 9.9025; 8.5425; 26.6115 90; 97.442; 90 | 2232.2 | Yang, Xing; Luo, Guoyong; Zhou, Liejin; Liu, Bin; Zhang, Xiaolei; Gao, Hui; Jin, Zhichao; Chi, Yonggui Robin Enantioselective Indole N‒H Functionalization Enabled by Addition of Carbene Catalyst to Indole Aldehyde at Remote Site ACS Catalysis, 2019, 10971 |
4515255 | CIF | C45 H31 Cl3 N2 Ni O | P 1 21/n 1 | 15.6; 15.771; 16.342 90; 99.93; 90 | 3960 | Capdevila, Lorena; Meyer, Tjark H.; Roldán-Gómez, Steven; Luis, Josep M.; Ackermann, Lutz; Ribas, Xavi Chemodivergent Nickel(0)-Catalyzed Arene C‒F Activation with Alkynes: Unprecedented C‒F/C‒H Double Insertion ACS Catalysis, 2019, 11074 |
4515457 | CIF | C27 H25 N | P -1 | 11.627; 11.659; 15.889 85.73; 77.49; 69.54 | 1970.1 | Tian, 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 | CIF | C25 H19 Br Mn N2 O2 P | P 1 21/c 1 | 12.9669; 13.874; 12.3572 90; 93.057; 90 | 2219.93 | Das, 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 |
4515459 | CIF | C32 H26 Mn N2 O3 P | P 1 21/c 1 | 9.7663; 16.9042; 16.0896 90; 97.951; 90 | 2630.72 | Das, 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 |
4515460 | CIF | C18 H23 N3 O2 | P 1 21/c 1 | 8.3986; 10.167; 18.964 90; 101.38; 90 | 1587.5 | van der Puyl, Vincent A.; Derosa, Joseph; Engle, Keary M. Directed, Nickel-Catalyzed Umpolung 1,2-Carboamination of Alkenyl Carbonyl Compounds ACS Catalysis, 2018, 9, 224 |
4515461 | CIF | C20 H27 N3 O2 | P -1 | 9.4368; 11.2965; 18.1549 81.081; 81.652; 73.77 | 1825.2 | van der Puyl, Vincent A.; Derosa, Joseph; Engle, Keary M. Directed, Nickel-Catalyzed Umpolung 1,2-Carboamination of Alkenyl Carbonyl Compounds ACS Catalysis, 2018, 9, 224 |
4515462 | CIF | C22 H33 B F2 O4 Si | P 21 21 21 | 7.4443; 10.4007; 31.5827 90; 90; 90 | 2445.32 | Guo, Wen-Hao; Zhao, Hai-Yang; Luo, Zhi-Ji; Zhang, Shu; Zhang, Xingang Fluoroalkylation‒Borylation of Alkynes: An Efficient Method To Obtain (Z)-Tri- and Tetrasubstituted Fluoroalkylated Alkenylboronates ACS Catalysis, 2018, 9, 38 |
4515463 | CIF | C28 H47 B O8 P2 Pd | C 1 2/c 1 | 26.0162; 11.1134; 23.2857 90; 108.358; 90 | 6389.9 | Espinosa, Matthew R.; Charboneau, David J.; Garcia de Oliveira, André; Hazari, Nilay Controlling Selectivity in the Hydroboration of Carbon Dioxide to the Formic Acid, Formaldehyde, and Methanol Oxidation Levels ACS Catalysis, 2018, 9, 301 |
4515464 | CIF | C9 H15 B O2 | I 41/a c d :2 | 13.2301; 13.2301; 38.893 90; 90; 90 | 6807.7 | Espinosa, Matthew R.; Charboneau, David J.; Garcia de Oliveira, André; Hazari, Nilay Controlling Selectivity in the Hydroboration of Carbon Dioxide to the Formic Acid, Formaldehyde, and Methanol Oxidation Levels ACS Catalysis, 2018, 9, 301 |
4515465 | CIF | C15 H15 Cl N2 | P 1 21/n 1 | 8.473; 17.4446; 9.0374 90; 94.072; 90 | 1332.43 | Fu, Niankai; Shen, Yifan; Allen, Anthony R.; Song, Lu; Ozaki, Atsushi; Lin, Song Mn-Catalyzed Electrochemical Chloroalkylation of Alkenes. ACS catalysis, 2019, 9, 746-754 |
4515466 | CIF | C18 H14 F3 N O4 | P 1 21 1 | 11.8498; 9.5906; 14.708 90; 96.008; 90 | 1662.33 | Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J. Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones. ACS catalysis, 2019, 9, 242-252 |
4515467 | CIF | C17 H15 N O4 | P 1 21 1 | 13.5517; 9.2461; 11.8061 90; 106.796; 90 | 1416.2 | Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J. Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones. ACS catalysis, 2019, 9, 242-252 |
4515468 | CIF | C60 H79 N6 O15 P | P 21 21 21 | 9.8665; 19.0145; 31.36 90; 90; 90 | 5883.3 | Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J. Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones. ACS catalysis, 2019, 9, 242-252 |
4515469 | CIF | C17 H14 Br N O4 | I 1 2 1 | 22.7393; 5.2121; 14.2943 90; 93.045; 90 | 1691.76 | Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J. Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones. ACS catalysis, 2019, 9, 242-252 |
4515470 | CIF | C17 H15 N O4 | P 1 21 1 | 10.8042; 8.4963; 15.825 90; 103.232; 90 | 1414.1 | Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J. Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones. ACS catalysis, 2019, 9, 242-252 |
4515471 | CIF | C18 H17 N O4 | P -1 | 9.806; 14.9855; 21.2136 89.141; 86.664; 88.303 | 3110.4 | Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J. Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones. ACS catalysis, 2019, 9, 242-252 |
4515472 | CIF | C36 H57 N7 O7 | C 1 2 1 | 26.466; 17.7566; 22.8328 90; 124.789; 90 | 8812.3 | Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J. Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones. ACS catalysis, 2019, 9, 242-252 |
4515473 | CIF | C20 H23 N O2 | P b c a | 13.76; 7.1297; 34.2631 90; 90; 90 | 3361.37 | Ho, Hon Eong; Stephens, Thomas C.; Payne, Thomas J.; O’Brien, Peter; Taylor, Richard J. K.; Unsworth, William P. Merging π-Acid and Pd Catalysis: Dearomatizing Spirocyclization/Cross-Coupling Cascade Reactions of Alkyne-Tethered Aromatics ACS Catalysis, 2018, 9, 504 |
4515474 | CIF | C45.67 H35.35 Cl3.35 N2 O2 | I 1 2/a 1 | 7.38319; 26.3138; 19.6731 90; 93.6518; 90 | 3814.33 | Ho, Hon Eong; Stephens, Thomas C.; Payne, Thomas J.; O’Brien, Peter; Taylor, Richard J. K.; Unsworth, William P. Merging π-Acid and Pd Catalysis: Dearomatizing Spirocyclization/Cross-Coupling Cascade Reactions of Alkyne-Tethered Aromatics ACS Catalysis, 2018, 9, 504 |
4515475 | CIF | C22 H40 Mn N3 O5 P2 S | P b c a | 11.5; 14.765; 34.41 90; 90; 90 | 5843 | Bertini, Federica; Glatz, Mathias; Stöger, Berthold; Peruzzini, Maurizio; Veiros, Luis F.; Kirchner, Karl; Gonsalvi, Luca Carbon Dioxide Reduction to Methanol Catalyzed by Mn(I) PNP Pincer Complexes under Mild Reaction Conditions ACS Catalysis, 2018, 9, 632 |
4515476 | CIF | C27 H29 N | P -1 | 8.9763; 10.84; 11.572 109.84; 99.23; 93.29 | 1037.8 | Tang, Bin; Hu, Xiaoyan; Liu, Chunli; Jiang, Tao; Alam, Fakhre; Chen, Yanhui Tandem Cyclization/Hydroarylation of α,ω-Dienes Triggered by Scandium-Catalyzed C‒H Activation ACS Catalysis, 2018, 9, 599 |
4515477 | CIF | C23 H40 N Sc Si2 | P -1 | 9.616; 10.433; 13.436 100.936; 95.927; 95.808 | 1306.3 | Tang, Bin; Hu, Xiaoyan; Liu, Chunli; Jiang, Tao; Alam, Fakhre; Chen, Yanhui Tandem Cyclization/Hydroarylation of α,ω-Dienes Triggered by Scandium-Catalyzed C‒H Activation ACS Catalysis, 2018, 9, 599 |
4515478 | CIF | C15 H24 F6 N P | C 1 c 1 | 19.003; 10.452; 8.8763 90; 96.73; 90 | 1750.9 | Tang, Bin; Hu, Xiaoyan; Liu, Chunli; Jiang, Tao; Alam, Fakhre; Chen, Yanhui Tandem Cyclization/Hydroarylation of α,ω-Dienes Triggered by Scandium-Catalyzed C‒H Activation ACS Catalysis, 2018, 9, 599 |
4515479 | CIF | C29 H20 B F18 N6 Rh | P 1 21/c 1 | 18.0106; 9.0679; 19.7109 90; 96.859; 90 | 3196.1 | Avullala, Thirupataiah; Asgari, Parham; Hua, Yuanda; Bokka, Apparao; Ridlen, Shawn G.; Yum, Kyungsuk; Dias, H. V. Rasika; Jeon, Junha Umpolung <i>α</i>-Silylation of Cyclopropyl Acetates via Low-Temperature Catalytic C-C Activation. ACS catalysis, 2019, 9, 402-408 |
4515480 | CIF | C36 H48 Cl2 N2 O Ru | P 1 21/c 1 | 19.3364; 10.43031; 16.58648 90; 95.7369; 90 | 3328.48 | Małecki, Paweł; Gajda, Katarzyna; Gajda, Roman; Woźniak, Krzysztof; Trzaskowski, Bartosz; Kajetanowicz, Anna; Grela, Karol Specialized Ruthenium Olefin Metathesis Catalysts Bearing Bulky Unsymmetrical NHC Ligands: Computations, Synthesis, and Application ACS Catalysis, 2018, 9, 587 |
4515481 | CIF | C53 H50 Cl2 N2 O Ru | P 1 21/n 1 | 13.16; 10.12687; 37.8176 90; 98.1376; 90 | 4989.19 | Małecki, Paweł; Gajda, Katarzyna; Gajda, Roman; Woźniak, Krzysztof; Trzaskowski, Bartosz; Kajetanowicz, Anna; Grela, Karol Specialized Ruthenium Olefin Metathesis Catalysts Bearing Bulky Unsymmetrical NHC Ligands: Computations, Synthesis, and Application ACS Catalysis, 2018, 9, 587 |
4515482 | CIF | C41 H48 Br N3 O7 | P 21 21 21 | 11.6704; 12.4895; 24.8148 90; 90; 90 | 3616.94 | Paria, Suva; Kang, Qi-Kai; Hatanaka, Miho; Maruoka, Keiji Design of Efficient Chiral Bifunctional Phase-Transfer Catalysts Possessing an Amino Functionality for Asymmetric Aminations ACS Catalysis, 2018, 9, 78 |
4515483 | CIF | C71 H72 N2 Ni | P 21 21 21 | 14.9159; 18.747; 20.4012 90; 90; 90 | 5704.8 | Cai, Yuan; Zhang, Jia-Wen; Li, Feng; Liu, Jia-Ming; Shi, Shi-Liang Nickel/N-Heterocyclic Carbene Complex-Catalyzed Enantioselective Redox-Neutral Coupling of Benzyl Alcohols and Alkynes to Allylic Alcohols ACS Catalysis, 2018, 9, 1 |
4515484 | CIF | C23 H22 N2 O4 S2 | P 1 | 9.0036; 10.9036; 11.9944 103.063; 98.741; 91.068 | 1132 | Yang, Shengbiao; Wang, Lihong; Zhang, Hongwei; Liu, Chunyang; Zhang, Linli; Wang, Xiaomin; Zhang, Ge; Li, Yan; Zhang, Qian Copper-Catalyzed Asymmetric Aminocyanation of Arylcyclopropanes for Synthesis of γ-Amino Nitriles ACS Catalysis, 2018, 9, 716 |
4515485 | CIF | C37 H31 F2 I P2 Pd | C 1 2/c 1 | 12.09; 15.2246; 20.0614 90; 91.35; 90 | 3691.6 | Hori, Kaishi; Motohashi, Hirotaka; Saito, Daichi; Mikami, Koichi Precatalyst Effects on Pd-Catalyzed Cross-Coupling Difluoromethylation of Aryl Boronic Acids ACS Catalysis, 2018, 9, 417 |
4515486 | CIF | C56 H34 F16 Ir N4 P | C 1 2/c 1 | 16.49; 22.606; 13.5064 90; 90.007; 90 | 5034.8 | Boyaala, Rabab; Touzani, Rachid; Roisnel, Thierry; Dorcet, Vincent; Caytan, Elsa; Jacquemin, Denis; Boixel, Julien; Guerchais, Véronique; Doucet, Henri; Soulé, Jean-François Catalyst-Controlled Regiodivergent C‒H Arylation Site of Fluorinated 2-Arylpyridine Derivatives: Application to Luminescent Iridium(III) Complexes ACS Catalysis, 2018, 9, 1320 |
4515487 | CIF | C49 H32 Cl2 F16 Ir N4 P | P -1 | 11.7565; 12.8586; 18.657 81.314; 80.238; 73.409 | 2648.1 | Boyaala, Rabab; Touzani, Rachid; Roisnel, Thierry; Dorcet, Vincent; Caytan, Elsa; Jacquemin, Denis; Boixel, Julien; Guerchais, Véronique; Doucet, Henri; Soulé, Jean-François Catalyst-Controlled Regiodivergent C‒H Arylation Site of Fluorinated 2-Arylpyridine Derivatives: Application to Luminescent Iridium(III) Complexes ACS Catalysis, 2018, 9, 1320 |
4515488 | CIF | C56 H34 F16 Ir N4 P | R -3 :H | 26.5472; 26.5472; 38.495 90; 90; 120 | 23494.8 | Boyaala, Rabab; Touzani, Rachid; Roisnel, Thierry; Dorcet, Vincent; Caytan, Elsa; Jacquemin, Denis; Boixel, Julien; Guerchais, Véronique; Doucet, Henri; Soulé, Jean-François Catalyst-Controlled Regiodivergent C‒H Arylation Site of Fluorinated 2-Arylpyridine Derivatives: Application to Luminescent Iridium(III) Complexes ACS Catalysis, 2018, 9, 1320 |
4515489 | CIF | C27 H43 Al Cl N3 Si3 | P -1 | 9.6279; 10.9013; 17.0857 98.271; 102.568; 108.408 | 1616.39 | Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A. Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration ACS Catalysis, 2018, 9, 874 |
4515490 | CIF | C24 H24 Al N3 | P 21 21 21 | 7.3795; 13.4511; 21.1096 90; 90; 90 | 2095.39 | Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A. Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration ACS Catalysis, 2018, 9, 874 |
4515491 | CIF | C18 H19 Al Cl N3 | P 1 21/c 1 | 8.9033; 22.602; 8.763 90; 100.967; 90 | 1731.2 | Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A. Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration ACS Catalysis, 2018, 9, 874 |
4515492 | CIF | C35 H44 Al N4 | P -1 | 9.0364; 10.9957; 16.5417 91.033; 97.953; 107.345 | 1550.72 | Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A. Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration ACS Catalysis, 2018, 9, 874 |
4515493 | CIF | C29 H33 Al N3 | P 1 21/n 1 | 9.6204; 24.1661; 10.8834 90; 94.131; 90 | 2523.68 | Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A. Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration ACS Catalysis, 2018, 9, 874 |
4515494 | CIF | C33 H48 Al N3 Si3 | P -1 | 9.2076; 12.1268; 16.763 98.513; 98.865; 103.694 | 1763.3 | Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A. Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration ACS Catalysis, 2018, 9, 874 |
4515495 | CIF | C15 H24 Al Cl4 N3 O7 | P 1 21/n 1 | 7.0617; 25.6486; 13.413 90; 105.218; 90 | 2344.2 | Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A. Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration ACS Catalysis, 2018, 9, 874 |
4515496 | CIF | C27 H37 Al Cl N3 | P 1 21/n 1 | 9.2525; 15.9339; 17.4939 90; 95.425; 90 | 2567.5 | Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A. Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration ACS Catalysis, 2018, 9, 874 |
4515497 | CIF | C27 H38 Al N3 | P -1 | 8.9098; 9.0012; 17.5788 89.93; 76.945; 69.158 | 1278.64 | Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A. Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration ACS Catalysis, 2018, 9, 874 |
4515498 | CIF | C33 H42 Al N3 | P 1 21/c 1 | 16.055; 10.4568; 35.146 90; 98.496; 90 | 5835.7 | Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A. Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration ACS Catalysis, 2018, 9, 874 |
4515499 | CIF | C57 H34 B2 F30 Nd Si3 | C 1 2/c 1 | 39.687; 12.1443; 26.344 90; 98.409; 90 | 12561 | Schmidt, Bradley M.; Pindwal, Aradhana; Venkatesh, Amrit; Ellern, Arkady; Rossini, Aaron J.; Sadow, Aaron D. Zwitterionic Trivalent (Alkyl)lanthanide Complexes in Ziegler-Type Butadiene Polymerization ACS Catalysis, 2018, 9, 827 |
4515500 | CIF | C20 H16 O4 | I 1 a 1 | 6.101; 7.1857; 36.046 90; 94.848; 90 | 1574.6 | Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes ACS Catalysis, 2018, 9, 810 |
4515501 | CIF | C23 H31 Cl Fe N2 | P 1 2/c 1 | 14.4785; 9.0523; 16.7522 90; 92.179; 90 | 2194 | Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes ACS Catalysis, 2018, 9, 810 |
4515502 | CIF | C29 H35 Cl Fe N2 | P b c a | 16.5485; 10.4399; 31.246 90; 90; 90 | 5398.2 | Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes ACS Catalysis, 2018, 9, 810 |
4515503 | CIF | C26 H38 Cl Fe N3 | P b c a | 11.9206; 15.6644; 27.735 90; 90; 90 | 5178.93 | Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes ACS Catalysis, 2018, 9, 810 |
4515504 | CIF | C37 H40 Fe N2 | P 1 21/c 1 | 12.631; 15.5444; 16.5595 90; 105.365; 90 | 3135.1 | Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes ACS Catalysis, 2018, 9, 810 |
4515505 | CIF | C25 H35 Cl Fe N2 | P 1 21/c 1 | 17.827; 15.8552; 11.0869 90; 104.133; 90 | 3038.9 | Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes ACS Catalysis, 2018, 9, 810 |
4515506 | CIF | C24 H20 Fe2 | P 1 21/n 1 | 11.736; 10.478; 14.979 90; 102.775; 90 | 1796.4 | Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes ACS Catalysis, 2018, 9, 810 |
4515507 | CIF | C28 H41 Cl Fe N2 | P 21 21 21 | 8.6146; 17.039; 19.7629 90; 90; 90 | 2900.9 | Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes ACS Catalysis, 2018, 9, 810 |
4515508 | CIF | C32 H41 Cl Fe N2 | P 1 21/c 1 | 8.4344; 22.681; 15.3166 90; 90.017; 90 | 2930.1 | Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes ACS Catalysis, 2018, 9, 810 |
4515509 | CIF | C26 H37 Cl Fe N2 | P 1 21/c 1 | 8.5309; 16.6841; 17.0048 90; 91.196; 90 | 2419.8 | Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes ACS Catalysis, 2018, 9, 810 |
4515510 | CIF | C19 H13 N O4 S | P -1 | 7.0423; 9.2936; 12.8025 89.117; 75.476; 77.243 | 790.39 | Shu, Chao; Shi, Chong-Yang; Sun, Qing; Zhou, Bo; Li, Tian-You; He, Qiao; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu Generation of Endocyclic Vinyl Carbene Complexes via Gold-Catalyzed Oxidative Cyclization of Terminal Diynes: Toward Naphthoquinones and Carbazolequinones ACS Catalysis, 2018, 9, 1019 |
4515511 | CIF | C30 H29 Al N4 O | P -1 | 9.633; 11.189; 12.051 89.56; 71.1; 83.22 | 1220 | Mandal, Mukunda; Luke, Anna M.; Dereli, Büşra; Elwell, Courtney E.; Reineke, Theresa M.; Tolman, William B.; Cramer, Christopher J. Computational Prediction and Experimental Verification of ε-Caprolactone Ring-Opening Polymerization Activity by an Aluminum Complex of an Indolide/Schiff-Base Ligand ACS Catalysis, 2018, 9, 885 |
4515512 | CIF | C26 H30 N2 O3 | P 21 21 21 | 9.1036; 13.3256; 36.2038 90; 90; 90 | 4391.92 | Shen, Hong-Cheng; Zhang, Ling; Chen, Shu-Sen; Feng, Jiajie; Zhang, Bo-Wen; Zhang, Ying; Zhang, Xinhao; Wu, Yun-Dong; Gong, Liu-Zhu Enantioselective Addition of Cyclic Ketones to Unactivated Alkenes Enabled by Amine/Pd(II) Cooperative Catalysis ACS Catalysis, 2018, 9, 791 |
4515513 | CIF | C25 H27 Br N2 O2 | P 21 21 21 | 9.0909; 13.2501; 36.0908 90; 90; 90 | 4347.3 | Shen, Hong-Cheng; Zhang, Ling; Chen, Shu-Sen; Feng, Jiajie; Zhang, Bo-Wen; Zhang, Ying; Zhang, Xinhao; Wu, Yun-Dong; Gong, Liu-Zhu Enantioselective Addition of Cyclic Ketones to Unactivated Alkenes Enabled by Amine/Pd(II) Cooperative Catalysis ACS Catalysis, 2018, 9, 791 |
4515514 | CIF | C25 H38 B N O6 S | P -1 | 11.446; 11.5967; 12.3843 112.094; 115.7; 93.978 | 1318.18 | Kim-Lee, Shin-Ho; Alonso, Inés; Mauleón, Pablo; Arrayás, Ramón Gómez; Carretero, Juan C. Rationalizing the Role of NaOtBu in Copper-Catalyzed Carboboration of Alkynes: Assembly of Allylic All-Carbon Quaternary Stereocenters ACS Catalysis, 2018, 8, 8993 |
4515515 | CIF | C21 H22 F N O4 | P 1 21/c 1 | 27.4465; 6.4873; 22.0138 90; 112.954; 90 | 3609.3 | Park, Hojoon; Chekshin, Nikita; Shen, Peng-Xiang; Yu, Jin-Quan Ligand-Enabled, Palladium-Catalyzed β-C(sp<sup>3</sup>)-H Arylation of Weinreb Amides. ACS catalysis, 2018, 8, 9292-9297 |
4515516 | CIF | C41 H51 Co K N6 O11 | P 21 21 21 | 11.0919; 18.3376; 21.9261 90; 90; 90 | 4459.7 | Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes ACS Catalysis, 2018, 8, 9183 |
4515517 | CIF | C45 H36 K Mn N7 O3 | P 1 21/n 1 | 11.7651; 21.2221; 16.4682 90; 95.468; 90 | 4093.1 | Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes ACS Catalysis, 2018, 8, 9183 |
4515518 | CIF | C45 H48 N4 | P -1 | 9.1381; 12.0237; 17.8361 96.278; 90.36; 111.214 | 1813.7 | Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes ACS Catalysis, 2018, 8, 9183 |
4515519 | CIF | C50 H55 K Mn N4 O2 | P 1 21/n 1 | 11.527; 13.729; 27.724 90; 92.471; 90 | 4383.4 | Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes ACS Catalysis, 2018, 8, 9183 |
4515520 | CIF | C53 H47.5 F9 K Mn N4.5 O6.5 | P 1 21/n 1 | 12.3883; 18.995; 21.656 90; 101.457; 90 | 4994.5 | Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes ACS Catalysis, 2018, 8, 9183 |
4515521 | CIF | C48 H39 F9 N4 O6 | P 1 21/c 1 | 19.36; 10.0615; 29.486 90; 128.675; 90 | 4484 | Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes ACS Catalysis, 2018, 8, 9183 |
4515522 | CIF | C88 H131 K Mn N4 O7 | P -1 | 13.4244; 15.4608; 21.041 92.203; 93.474; 102.805 | 4244.6 | Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes ACS Catalysis, 2018, 8, 9183 |
4515523 | CIF | C54 H45 F18 K Mn N4 O3 | P -1 | 12.729; 14.584; 16.701 112.045; 92.891; 99.02 | 2817.9 | Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes ACS Catalysis, 2018, 8, 9183 |
4515524 | CIF | C148 H198 Cl0 K4 Mn4 N20 O19 | P -1 | 12.421; 13.222; 24.754 89.65; 77.831; 72.506 | 3783.1 | Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes ACS Catalysis, 2018, 8, 9183 |
4515525 | CIF | C64.75 H86 K Mn N4 O4 | P -1 | 11.719; 12.417; 21.77 91.221; 100.827; 100.424 | 3055 | Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes ACS Catalysis, 2018, 8, 9183 |
4515526 | CIF | C58 H71 K Mn N4 O4 | P 1 21/n 1 | 12.4818; 21.792; 20.039 90; 105.708; 90 | 5247.1 | Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes ACS Catalysis, 2018, 8, 9183 |
4515527 | CIF | C32 H29 F9 K Mn N6 O5 | C 1 c 1 | 18.3717; 10.8662; 19.0286 90; 94.307; 90 | 3788 | Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes ACS Catalysis, 2018, 8, 9183 |
4515528 | CIF | C41 H51 Fe K N6 O11 | P 21 21 21 | 11.1683; 18.406; 21.83 90; 90; 90 | 4487.5 | Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes ACS Catalysis, 2018, 8, 9183 |
4515529 | CIF | C56 H61 Cl6 K Mn N4 O5 | P 1 21/n 1 | 11.391; 20.1796; 24.488 90; 93.742; 90 | 5617 | Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes ACS Catalysis, 2018, 8, 9183 |
4515530 | CIF | C28 H18 Co F9 K N6 O3 | P 1 21/c 1 | 10.696; 18.855; 15.813 90; 101.378; 90 | 3126.4 | Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes ACS Catalysis, 2018, 8, 9183 |
4515531 | CIF | C86 H118 K2 Mn2 N8 O17 | C 1 2/c 1 | 18.8633; 21.7465; 22.5199 90; 102.759; 90 | 9009.8 | Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes ACS Catalysis, 2018, 8, 9183 |
4515532 | CIF | C36 H39 F9 K N7 Ni O6 | P 1 21/n 1 | 9.133; 29.15; 16.125 90; 95.392; 90 | 4274 | Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes ACS Catalysis, 2018, 8, 9183 |
4515533 | CIF | C28 H18 F9 K Mn N6 O3 | P 1 21/c 1 | 10.661; 18.766; 15.752 90; 100.699; 90 | 3097 | Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes ACS Catalysis, 2018, 8, 9183 |
4515534 | CIF | C78 H105 K2 Mn2 N11 O9 | P -1 | 11.759; 13.541; 26.426 86.003; 80.023; 73.719 | 3977 | Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes ACS Catalysis, 2018, 8, 9183 |
4515535 | CIF | C15 H13 N O2 | P 1 21/c 1 | 5.8829; 8.228; 25.846 90; 96.056; 90 | 1244.08 | Liu, Chengwei; Li, Guangchen; Shi, Shicheng; Meng, Guangrong; Lalancette, Roger; Szostak, Roman; Szostak, Michal Acyl and Decarbonylative Suzuki Coupling of N-Acetyl Amides: Electronic Tuning of Twisted, Acyclic Amides in Catalytic Carbon‒Nitrogen Bond Cleavage ACS Catalysis, 2018, 8, 9131 |
4515536 | CIF | C30 H27 N2 O4 P | P 1 21/c 1 | 12.148; 10.6001; 19.4764 90; 96.366; 90 | 2492.5 | Meyer, Tjark H.; Oliveira, João C. A.; Sau, Samaresh Chandra; Ang, Nate W. J.; Ackermann, Lutz Electrooxidative Allene Annulations by Mild Cobalt-Catalyzed C‒H Activation ACS Catalysis, 2018, 8, 9140 |
4515537 | CIF | C25 H20 Cl N O2 | P 21 21 21 | 6.1285; 10.8042; 30.5592 90; 90; 90 | 2023.43 | Dong, Kuiyong; Pei, Chao; Zeng, Qian; Wei, Hanlin; Doyle, Michael P.; Xu, Xinfang Selective C(sp3)‒H Bond Insertion in Carbene/Alkyne Metathesis Reactions. Enantioselective Construction of Dihydroindoles ACS Catalysis, 2018, 8, 9543 |
4515538 | CIF | C25 H20 Br N O2 | P 1 21 1 | 13.288; 5.6; 14.983 90; 114.29; 90 | 1016.23 | Dong, Kuiyong; Pei, Chao; Zeng, Qian; Wei, Hanlin; Doyle, Michael P.; Xu, Xinfang Selective C(sp3)‒H Bond Insertion in Carbene/Alkyne Metathesis Reactions. Enantioselective Construction of Dihydroindoles ACS Catalysis, 2018, 8, 9543 |
4515539 | CIF | C88 H44 Mo0.96 O32 S1.92 Zr6 | P 6/m m m | 39.254; 39.254; 16.542 90; 90; 120 | 22074 | Noh, Hyunho; Kung, Chung-Wei; Otake, Ken-ichi; Peters, Aaron W.; Li, Zhanyong; Liao, Yijun; Gong, Xinyi; Farha, Omar K.; Hupp, Joseph T. Redox-Mediator-Assisted Electrocatalytic Hydrogen Evolution from Water by a Molybdenum Sulfide-Functionalized Metal‒Organic Framework ACS Catalysis, 2018, 8, 9848 |
4515540 | CIF | C88 H44 Mo2.24 O36.88 Zr6 | P 6/m m m | 39.4657; 39.4657; 16.3953 90; 90; 120 | 22115.1 | Noh, Hyunho; Kung, Chung-Wei; Otake, Ken-ichi; Peters, Aaron W.; Li, Zhanyong; Liao, Yijun; Gong, Xinyi; Farha, Omar K.; Hupp, Joseph T. Redox-Mediator-Assisted Electrocatalytic Hydrogen Evolution from Water by a Molybdenum Sulfide-Functionalized Metal‒Organic Framework ACS Catalysis, 2018, 8, 9848 |
4515541 | CIF | C28 H26 N4 O7 | P 21 21 21 | 9.0462; 11.8256; 23.9232 90; 90; 90 | 2559.23 | Wang, Jilan; Li, Yongjia; Sun, Jun; Wang, Hongling; Jin, Zhichao; Chi, Yonggui Robin Carbene-Catalyzed Enantioselective Addition of Benzylic Carbon to Unsaturated Acyl Azolium for Rapid Synthesis of Pyrrolo[3,2-c]quinolines ACS Catalysis, 2018, 8, 9859 |
4515542 | CIF | C14 H21 Ge N O3 | P b c a | 13.7717; 11.1518; 18.9206 90; 90; 90 | 2905.81 | Song, Hai-Jie; Jiang, Wei-Tao; Zhou, Qiao-Lan; Xu, Meng-Yu; Xiao, Bin Structure-Modified Germatranes for Pd-Catalyzed Biaryl Synthesis ACS Catalysis, 2018, 8, 9287 |
4515543 | CIF | C14 H20 Cl Ge N O3 | P 1 21/n 1 | 14.8342; 13.3798; 16.4653 90; 96.777; 90 | 3245.18 | Song, Hai-Jie; Jiang, Wei-Tao; Zhou, Qiao-Lan; Xu, Meng-Yu; Xiao, Bin Structure-Modified Germatranes for Pd-Catalyzed Biaryl Synthesis ACS Catalysis, 2018, 8, 9287 |
4515544 | CIF | C54 H60 N2 | P -1 | 8.3369; 9.3962; 14.592 100.111; 103.43; 98.334 | 1073.8 | Noto, Naoki; Tanaka, Yuya; Koike, Takashi; Akita, Munetaka Strongly Reducing (Diarylamino)anthracene Catalyst for Metal-Free Visible-Light Photocatalytic Fluoroalkylation ACS Catalysis, 2018, 8, 9408 |
4515545 | CIF | C12 H14 F3 N O | P c a 21 | 8.8458; 14.526; 9.5388 90; 90; 90 | 1225.7 | Noto, Naoki; Tanaka, Yuya; Koike, Takashi; Akita, Munetaka Strongly Reducing (Diarylamino)anthracene Catalyst for Metal-Free Visible-Light Photocatalytic Fluoroalkylation ACS Catalysis, 2018, 8, 9408 |
4515546 | CIF | C28 H23 N S | P 1 | 10.1611; 10.3192; 12.2146 73.14; 71.609; 61.296 | 1051.13 | Chen, Min-Hsien; Hsieh, Jen-Chieh; Lee, Yi-Hsien; Cheng, Chien-Hong Controlled Synthesis of Enantioselective 1-Aminoindenes via Cobalt-Catalyzed [3 + 2] Annulation Reaction ACS Catalysis, 2018, 8, 9364 |
4515547 | CIF | C28 H23 N S | P 1 | 10.082; 10.316; 12.247 73.57; 71.546; 61.603 | 1049.43 | Chen, Min-Hsien; Hsieh, Jen-Chieh; Lee, Yi-Hsien; Cheng, Chien-Hong Controlled Synthesis of Enantioselective 1-Aminoindenes via Cobalt-Catalyzed [3 + 2] Annulation Reaction ACS Catalysis, 2018, 8, 9364 |
4515548 | CIF | C15 H14 N2 O3 | P 1 21/c 1 | 8.085; 16.9819; 10.0705 90; 110.13; 90 | 1298.2 | Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity ACS Catalysis, 2018, 8, 9697 |
4515549 | CIF | C23 H19 Cl N2 O3 S | P 1 21/c 1 | 7.0746; 19.195; 15.3264 90; 100.918; 90 | 2043.6 | Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity ACS Catalysis, 2018, 8, 9697 |
4515550 | CIF | C27 H22 N2 O3 S | P n a 21 | 33.95; 8.4972; 7.9321 90; 90; 90 | 2288.3 | Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity ACS Catalysis, 2018, 8, 9697 |
4515551 | CIF | C26 H24 N2 O5 S | P 1 21/c 1 | 12.008; 7.0368; 30.631 90; 92.288; 90 | 2586.2 | Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity ACS Catalysis, 2018, 8, 9697 |
4515552 | CIF | C28 H28 N2 O3 S | C 1 2/c 1 | 33.457; 7.1395; 20.377 90; 103.524; 90 | 4732.4 | Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity ACS Catalysis, 2018, 8, 9697 |
4515553 | CIF | C24 H22 Cl N3 O2 | P -1 | 9.5004; 11.278; 11.5979 104.256; 109.363; 106.026 | 1045.71 | Liu, Bingxian; Li, Jie; Hu, Panjie; Zhou, Xukai; Bai, Dachang; Li, Xingwei Divergent Annulative C‒C Coupling of Indoles Initiated by Manganese-Catalyzed C‒H Activation ACS Catalysis, 2018, 8, 9463 |
4515554 | CIF | C23 H25 N O2 | P 1 21 1 | 9.356; 10.7541; 9.6715 90; 96.3296; 90 | 967.17 | Huang, Liang-Zhu; Xuan, Zi; Jeon, Hyun Ji; Du, Zhen-Ting; Kim, Ju Hyun; Lee, Sang-gi Asymmetric Rh(II)/Pd(0) Relay Catalysis: Synthesis of α-Quaternary Chiral β-Lactams through Enantioselective C‒H Insertion/Diastereoselective Allylation of Diazoamides ACS Catalysis, 2018, 8, 7340 |
4515555 | CIF | C11 H17 B Cl N O | P n a 21 | 19.738; 5.4134; 11.384 90; 90; 90 | 1216.4 | Yang, Ji-Min; Zhao, Yu-Tao; Li, Zi-Qi; Gu, Xue-Song; Zhu, Shou-Fei; Zhou, Qi-Lin Gold-Catalyzed Oxidative Coupling of Terminal Alkynes and Borane Adducts: Efficient Synthesis of α-Boryl Ketones ACS Catalysis, 2018, 8, 7351 |
4515556 | CIF | C62 H42 O6 Ru2 | P -1 | 12.7987; 15.0974; 25.8586 104.39; 95.12; 100 | 4720.16 | Gusev, Dmitry G.; Spasyuk, Denis M. Revised Mechanisms for Aldehyde Disproportionation and the Related Reactions of the Shvo Catalyst ACS Catalysis, 2018, 8, 6851 |
4515557 | CIF | C31 H22 O3 Ru | P 1 21/n 1 | 15.7952; 7.4857; 20.8655 90; 100.47; 90 | 2426.02 | Gusev, Dmitry G.; Spasyuk, Denis M. Revised Mechanisms for Aldehyde Disproportionation and the Related Reactions of the Shvo Catalyst ACS Catalysis, 2018, 8, 6851 |
4515558 | CIF | C57 H75 Cl3 Fe3 N6 | P -1 | 12.6922; 13.0313; 16.647 76.0639; 84.1498; 84.0536 | 2649.46 | Ferreira, Ricardo B.; Cook, Brian J.; Knight, Brian J.; Catalano, Vincent J.; García-Serres, Ricardo; Murray, Leslie J. Catalytic Silylation of Dinitrogen by a Family of Triiron Complexes. ACS catalysis, 2018, 8, 7208-7212 |
4515559 | CIF | C21 H18 Mn N5 O4 | P 1 21/c 1 | 13.4325; 11.7346; 13.7646 90; 92.32; 90 | 2167.87 | Liu, Tingting; Wang, Liandi; Wu, Kaikai; Yu, Zhengkun Manganese-Catalyzed β-Alkylation of Secondary Alcohols with Primary Alcohols under Phosphine-Free Conditions ACS Catalysis, 2018, 8, 7201 |
4515560 | CIF | C21 H26 N2 O | P 1 21/c 1 | 17.2156; 7.3295; 13.8834 90; 90.807; 90 | 1751.66 | Fernández, David F.; Rodrigues, Catarina A. B.; Calvelo, Martín; Gulías, Moisés; Mascareñas, José L.; López, Fernando Iridium(I)-Catalyzed Intramolecular Cycloisomerization of Enynes: Scope and Mechanistic Course ACS Catalysis, 2018, 8, 7397 |
4515561 | CIF | C22 H23 N O2 | P 1 21/c 1 | 12.2561; 9.8925; 15.8384 90; 110.254; 90 | 1801.6 | Fernández, David F.; Rodrigues, Catarina A. B.; Calvelo, Martín; Gulías, Moisés; Mascareñas, José L.; López, Fernando Iridium(I)-Catalyzed Intramolecular Cycloisomerization of Enynes: Scope and Mechanistic Course ACS Catalysis, 2018, 8, 7397 |
4515562 | CIF | C37 H46 Cu N3 | P 1 21/n 1 | 12.411; 12.765; 21.416 90; 95.043; 90 | 3379.7 | Nakamura, Kimiaki; Hara, Reina; Sunada, Yusuke; Nishikata, Takashi Radical-Organometallic Hybrid Reaction System Enabling Couplings between Tertiary-Alkyl Groups and 1-Alkenyl Groups ACS Catalysis, 2018, 8, 6791 |
4515563 | CIF | C26 H24 Cu N4 O7 S2 | P b c a | 17.7588; 13.939; 20.7682 90; 90; 90 | 5140.96 | Hardouin Duparc, Valérie; Bano, Guillaume L.; Schaper, Frank Chan‒Evans‒Lam Couplings with Copper Iminoarylsulfonate Complexes: Scope and Mechanism ACS Catalysis, 2018, 8, 7308 |
4515564 | CIF | C14 H13 Cu F3 N2 O7 S2 | P -1 | 7.9814; 11.0894; 11.102 96.461; 100.176; 110.007 | 892.77 | Hardouin Duparc, Valérie; Bano, Guillaume L.; Schaper, Frank Chan‒Evans‒Lam Couplings with Copper Iminoarylsulfonate Complexes: Scope and Mechanism ACS Catalysis, 2018, 8, 7308 |
4515565 | CIF | C14 H14 O3 | P c a 21 | 11.7373; 4.431; 21.078 90; 90; 90 | 1096.2 | Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides ACS Catalysis, 2018, 8, 7439 |
4515566 | CIF | C14 H14 O3 | P c c n | 6.6399; 17.0733; 19.2759 90; 90; 90 | 2185.2 | Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides ACS Catalysis, 2018, 8, 7439 |
4515567 | CIF | C15 H18 O2 | P 1 21/c 1 | 14.435; 5.4011; 16.2501 90; 104.851; 90 | 1224.62 | Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides ACS Catalysis, 2018, 8, 7439 |
4515568 | CIF | C15 H20 O2 | P 1 21 1 | 9.1834; 5.2643; 13.7823 90; 107.711; 90 | 634.72 | Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides ACS Catalysis, 2018, 8, 7439 |
4515569 | CIF | C42 H70 Ce N7 O8 | P -1 | 10.5305; 11.181; 20.761 101.915; 91.944; 94.462 | 2381.4 | Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere ACS Catalysis, 2018, 8, 6939 |
4515570 | CIF | C32 H51 Ce N6 O8 | P -1 | 11.5006; 17.4646; 20.0865 67.599; 80.635; 78.648 | 3639.9 | Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere ACS Catalysis, 2018, 8, 6939 |
4515571 | CIF | C49 H66 Ce2 N11 O17 | C 1 2/c 1 | 22.935; 19.6202; 13.5095 90; 114.142; 90 | 5547.4 | Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere ACS Catalysis, 2018, 8, 6939 |
4515572 | CIF | C124 H174 Ce4 N21 O32 | C 1 2/c 1 | 15.263; 27.226; 17.096 90; 96.089; 90 | 7064 | Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere ACS Catalysis, 2018, 8, 6939 |
4515573 | CIF | C68 H102 Ce2 N8 O11 | C 1 2/c 1 | 27.711; 19.4594; 15.5984 90; 122.044; 90 | 7129.7 | Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere ACS Catalysis, 2018, 8, 6939 |
4515574 | CIF | C34 H30 N2 O4 | P 1 21/c 1 | 13.746; 11.435; 18.615 90; 110.457; 90 | 2741.5 | Usui, Kenji; Haines, Brandon E.; Musaev, Djamaladdin G.; Sarpong, Richmond Understanding Regiodivergence in a Pd(II)-Mediated Site-Selective C‒H Alkynylation ACS Catalysis, 2018, 8, 4516 |
4515575 | CIF | C25 H25 N3 O Pd | P 1 21/n 1 | 12.551; 9.9456; 17.6307 90; 106.171; 90 | 2113.72 | Usui, Kenji; Haines, Brandon E.; Musaev, Djamaladdin G.; Sarpong, Richmond Understanding Regiodivergence in a Pd(II)-Mediated Site-Selective C‒H Alkynylation ACS Catalysis, 2018, 8, 4516 |
4515576 | CIF | C19 H17 Cl O | P 21 21 21 | 5.612; 7.5305; 37.033 90; 90; 90 | 1565.1 | Teng, Huai-Long; Ma, Yuanhong; Zhan, Gu; Nishiura, Masayoshi; Hou, Zhaomin Asymmetric C(sp)‒H Addition of Terminal Alkynes to Cyclopropenes by a Chiral Gadolinium Catalyst ACS Catalysis, 2018, 8, 4705 |
4515577 | CIF | C21 H49 N O3 P2 Ru | P 1 21/n 1 | 13.2573; 13.3386; 15.3535 90; 92.948; 90 | 2711.4 | Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Swesi, Youssef; Favre-Réguillon, Alain; Vanoye, Laurent; Dumeignil, Franck; Gauvin, Régis M. Deeper Mechanistic Insight into Ru Pincer-Mediated Acceptorless Dehydrogenative Coupling of Alcohols: Exchanges, Intermediates, and Deactivation Species ACS Catalysis, 2018, 8, 4719 |
4515578 | CIF | C51 H125 N3 O10 P6 Ru3 | P -1 | 15.1793; 16.5074; 16.664 88.609; 71.881; 62.825 | 3496 | Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Swesi, Youssef; Favre-Réguillon, Alain; Vanoye, Laurent; Dumeignil, Franck; Gauvin, Régis M. Deeper Mechanistic Insight into Ru Pincer-Mediated Acceptorless Dehydrogenative Coupling of Alcohols: Exchanges, Intermediates, and Deactivation Species ACS Catalysis, 2018, 8, 4719 |
4515579 | CIF | C19 H41 N O3 P2 Ru | P b c a | 14.17; 15.3918; 21.741 90; 90; 90 | 4741.8 | Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Swesi, Youssef; Favre-Réguillon, Alain; Vanoye, Laurent; Dumeignil, Franck; Gauvin, Régis M. Deeper Mechanistic Insight into Ru Pincer-Mediated Acceptorless Dehydrogenative Coupling of Alcohols: Exchanges, Intermediates, and Deactivation Species ACS Catalysis, 2018, 8, 4719 |
4515580 | CIF | C19 H35 Cl2 Mn N P2 | P 1 21/c 1 | 12.4393; 11.9755; 15.9077 90; 91.637; 90 | 2368.8 | Brzozowska, Aleksandra; Azofra, Luis Miguel; Zubar, Viktoriia; Atodiresei, Iuliana; Cavallo, Luigi; Rueping, Magnus; El-Sepelgy, Osama Highly Chemo- and Stereoselective Transfer Semihydrogenation of Alkynes Catalyzed by a Stable, Well-Defined Manganese(II) Complex ACS Catalysis, 2018, 8, 4103 |
4515581 | CIF | C7 H9 Co O5 P | P 1 21/n 1 | 4.8553; 32.281; 5.6773 90; 91.788; 90 | 889.39 | Cai, Zhong-Sheng; Shi, Yi; Bao, Song-Song; Shen, Yang; Xia, Xing-Hua; Zheng, Li-Min Bioinspired Engineering of Cobalt-Phosphonate Nanosheets for Robust Hydrogen Evolution Reaction ACS Catalysis, 2018, 8, 3895 |
4515582 | CIF | C25 H40 N3 O2 P2 Re | P 21 21 21 | 10.1881; 13.7426; 20.6392 90; 90; 90 | 2889.7 | Glatz, Mathias; Stöger, Berthold; Himmelbauer, Daniel; Veiros, Luis F.; Kirchner, Karl Chemoselective Hydrogenation of Aldehydes under Mild, Base-Free Conditions: Manganese Outperforms Rhenium. ACS catalysis, 2018, 8, 4009-4016 |
4515583 | CIF | C72 H87 B N3 O2 Y | P 1 21/n 1 | 12.047; 17.64; 32.956 90; 96.116; 90 | 6964 | Yu, Xiaying; You, Qing; Zhou, Xigeng; Zhang, Lixin Isoprene Regioblock Copolymerization: Switching the Regioselectivity by the in Situ Ancillary Ligand Transmetalation of Active Yttrium Species ACS Catalysis, 2018, 8, 4465 |
4515584 | CIF | C12 H6 In0.54 N O2.25 | C m m m | 7.0996; 33.5115; 16.7335 90; 90; 90 | 3981.2 | Leng, Fucheng; Liu, Hang; Ding, Meili; Lin, Qi-Pu; Jiang, Hai-Long Boosting Photocatalytic Hydrogen Production of Porphyrinic MOFs: The Metal Location in Metalloporphyrin Matters ACS Catalysis, 2018, 8, 4583 |
4515585 | CIF | C12 H6 In0.75 N O2.73 | C m m m | 7.125; 33.622; 16.583 90; 90; 90 | 3972.57 | Leng, Fucheng; Liu, Hang; Ding, Meili; Lin, Qi-Pu; Jiang, Hai-Long Boosting Photocatalytic Hydrogen Production of Porphyrinic MOFs: The Metal Location in Metalloporphyrin Matters ACS Catalysis, 2018, 8, 4583 |
4515586 | CIF | C48 H24 In2 N4 Ni O10 | C m m m | 7.0725; 33.2883; 16.666 90; 90; 90 | 3923.7 | Leng, Fucheng; Liu, Hang; Ding, Meili; Lin, Qi-Pu; Jiang, Hai-Long Boosting Photocatalytic Hydrogen Production of Porphyrinic MOFs: The Metal Location in Metalloporphyrin Matters ACS Catalysis, 2018, 8, 4583 |
4515587 | CIF | C26 H28 F6 Mn N4 O6 S2 | P 43 | 18.28107; 18.28107; 36.923 90; 90; 90 | 12339.6 | Du, Junyi; Miao, Chengxia; Xia, Chungu; Lee, Yong-Min; Nam, Wonwoo; Sun, Wei Mechanistic Insights into the Enantioselective Epoxidation of Olefins by Bioinspired Manganese Complexes: Role of Carboxylic Acid and Nature of Active Oxidant ACS Catalysis, 2018, 8, 4528 |
4515588 | CIF | C28 H24 B F12 P | P -1 | 13.414; 13.786; 18.1493 101.69; 106.173; 109.985 | 2859.7 | Boudjelel, Maxime; Sosa Carrizo, E. Daiann; Mallet−Ladeira, Sonia; Massou, Stéphane; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier Catalytic Dehydrogenation of (Di)Amine-Boranes with a Geometrically Constrained Phosphine-Borane Lewis Pair ACS Catalysis, 2018, 8, 4459 |
4515589 | CIF | C28 H26 B F12 P | P 1 21/n 1 | 10.6496; 15.3406; 18.042 90; 95.278; 90 | 2935 | Boudjelel, Maxime; Sosa Carrizo, E. Daiann; Mallet−Ladeira, Sonia; Massou, Stéphane; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier Catalytic Dehydrogenation of (Di)Amine-Boranes with a Geometrically Constrained Phosphine-Borane Lewis Pair ACS Catalysis, 2018, 8, 4459 |
4515590 | CIF | C28 H27 B2 F12 P | P -1 | 11.7104; 12.4425; 12.4488 71.092; 69.578; 64.329 | 1499.65 | Boudjelel, Maxime; Sosa Carrizo, E. Daiann; Mallet−Ladeira, Sonia; Massou, Stéphane; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier Catalytic Dehydrogenation of (Di)Amine-Boranes with a Geometrically Constrained Phosphine-Borane Lewis Pair ACS Catalysis, 2018, 8, 4459 |
4515591 | CIF | C72 H94 Co2 N6 | P 1 21/n 1 | 11.1904; 12.5885; 22.6178 90; 99.722; 90 | 3140.42 | Lepori, Clément; Gómez-Orellana, Pablo; Ouharzoune, Allissa; Guillot, Régis; Lledós, Agusti; Ujaque, Gregori; Hannedouche, Jérôme Well-Defined β-Diketiminatocobalt(II) Complexes for Alkene Cyclohydroamination of Primary Amines ACS Catalysis, 2018, 8, 4446 |
4515592 | CIF | C31 H48 Co N2 O Si | P 1 21/n 1 | 17.0369; 10.7343; 17.0418 90; 93.483; 90 | 3110.83 | Lepori, Clément; Gómez-Orellana, Pablo; Ouharzoune, Allissa; Guillot, Régis; Lledós, Agusti; Ujaque, Gregori; Hannedouche, Jérôme Well-Defined β-Diketiminatocobalt(II) Complexes for Alkene Cyclohydroamination of Primary Amines ACS Catalysis, 2018, 8, 4446 |
4515593 | CIF | C31 H45 Cl2 Co Li N2 O2 | P 41 21 2 | 12.0633; 12.0633; 21.8421 90; 90; 90 | 3178.53 | Lepori, Clément; Gómez-Orellana, Pablo; Ouharzoune, Allissa; Guillot, Régis; Lledós, Agusti; Ujaque, Gregori; Hannedouche, Jérôme Well-Defined β-Diketiminatocobalt(II) Complexes for Alkene Cyclohydroamination of Primary Amines ACS Catalysis, 2018, 8, 4446 |
4515594 | CIF | C39 H49 N3 O Si Zn | P 1 21/n 1 | 8.8505; 21.914; 19.0059 90; 100.646; 90 | 3622.7 | Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity ACS Catalysis, 2018, 8, 4710 |
4515595 | CIF | C22.5 H38.5 N3 Zn | P 1 21/c 1 | 14.8856; 21.731; 16.0804 90; 113.482; 90 | 4770.9 | Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity ACS Catalysis, 2018, 8, 4710 |
4515596 | CIF | C22 H35 N3 O2 Zn | P 1 21/c 1 | 23.041; 10.016; 22.532 90; 117.531; 90 | 4611 | Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity ACS Catalysis, 2018, 8, 4710 |
4515597 | CIF | C50 H86 N6 Zn2 | C 1 2/c 1 | 21.7365; 14.2049; 20.3579 90; 102.81; 90 | 6129.4 | Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity ACS Catalysis, 2018, 8, 4710 |
4515598 | CIF | C55 H93 N6 O4 Zn2 | P -1 | 12.7688; 13.881; 17.4955 76.808; 73.779; 84.324 | 2896.9 | Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity ACS Catalysis, 2018, 8, 4710 |
4515599 | CIF | C51 H86 N6 O2 Zn2 | P -1 | 16.1366; 16.5978; 23.3164 98.9; 90.984; 119.052 | 5362.53 | Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity ACS Catalysis, 2018, 8, 4710 |
4515600 | CIF | C60 H84 N4 O4 Zn2 | P -1 | 13.4707; 14.5272; 16.2991 88.145; 89.86; 65.496 | 2900.6 | Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity ACS Catalysis, 2018, 8, 4710 |
4515601 | CIF | C10 H12 Fe N11 O | P 1 21/n 1 | 10.82; 12.675; 11.662 90; 106.559; 90 | 1533 | Shen, Shou-Jie; Zhu, Cheng-Liang; Lu, Deng-Fu; Xu, Hao Iron-Catalyzed Direct Olefin Diazidation via Peroxyester Activation Promoted by Nitrogen-Based Ligands. ACS catalysis, 2018, 8, 4473-4482 |
4515602 | CIF | C44 H54 N4 Ni | P 21 21 21 | 10.1006; 18.0014; 42.163 90; 90; 90 | 7666.3 | Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway ACS Catalysis, 2018, 8, 3733 |
4515603 | CIF | C110 H136 Cl3 N9 Ni3 | P 1 21/c 1 | 26.6781; 16.5463; 22.7174 90; 90.462; 90 | 10027.7 | Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway ACS Catalysis, 2018, 8, 3733 |
4515604 | CIF | C64 H80 Cl2 N6 Ni2 | P 21 21 21 | 12.855; 21.217; 24.26 90; 90; 90 | 6617 | Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway ACS Catalysis, 2018, 8, 3733 |
4515605 | CIF | C43 H56 Cl N3 Ni | C 1 2/c 1 | 27.4949; 19.0191; 16.9558 90; 108.589; 90 | 8404.1 | Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway ACS Catalysis, 2018, 8, 3733 |
4515606 | CIF | C22 H37 Ir N P | P 21 21 21 | 10.5276; 10.7464; 18.567 90; 90; 90 | 2100.6 | Cherepakhin, Valeriy; Williams, Travis J. Iridium Catalysts for Acceptorless Dehydrogenation of Alcohols to Carboxylic Acids: Scope and Mechanism. ACS catalysis, 2018, 8, 3754-3763 |
4515607 | CIF | C29 H48 Ir2 N2 O P2 | P 1 21/c 1 | 14.836; 15.464; 15.385 90; 114.159; 90 | 3220.5 | Cherepakhin, Valeriy; Williams, Travis J. Iridium Catalysts for Acceptorless Dehydrogenation of Alcohols to Carboxylic Acids: Scope and Mechanism. ACS catalysis, 2018, 8, 3754-3763 |
4515608 | CIF | C34 H26 F6 N6 O9 P Ru2 | P 1 21/c 1 | 13.8587; 23.8714; 12.5805 90; 115.201; 90 | 3765.8 | Daniel, Quentin; Duan, Lele; Timmer, Brian J. J.; Chen, Hong; Luo, Xiaodan; Ambre, Ram; Wang, Ying; Zhang, Biaobiao; Zhang, Peili; Wang, Lei; Li, Fusheng; Sun, Junliang; Ahlquist, Mårten; Sun, Licheng Water Oxidation Initiated by In Situ Dimerization of the Molecular Ru(pdc) Catalyst ACS Catalysis, 2018, 8, 4375 |
4515609 | CIF | C21 H23 Br N O | P -1 | 8.6881; 9.8467; 11.0731 94.586; 91.58; 105.361 | 909.36 | Bai, Dachang; Xu, Teng; Ma, Chaorui; Zheng, Xin; Liu, Bingxian; Xie, Fang; Li, Xingwei Rh(III)-Catalyzed Mild Coupling of Nitrones and Azomethine Imines with Alkylidenecyclopropanes via C‒H Activation: Facile Access to Bridged Cycles ACS Catalysis, 2018, 8, 4194 |
4515610 | CIF | C8 H7 Cl O3 | P n a 21 | 14.4042; 3.8522; 14.6641 90; 90; 90 | 813.68 | Xiong, Xiaodong; Yeung, Ying-Yeung Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications ACS Catalysis, 2018, 8, 4033 |
4515611 | CIF | C25 H25 Cl O4 | P 1 21 1 | 10.936; 6.5014; 14.9916 90; 95.8987; 90 | 1060.25 | Xiong, Xiaodong; Yeung, Ying-Yeung Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications ACS Catalysis, 2018, 8, 4033 |
4515612 | CIF | C6 H3 Br Cl I O | P 1 21 1 | 7.2559; 4.5474; 13.321 90; 100.781; 90 | 431.77 | Xiong, Xiaodong; Yeung, Ying-Yeung Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications ACS Catalysis, 2018, 8, 4033 |
4515613 | CIF | C12 H8 Cl2 O2 | P b c n | 6.3191; 15.8114; 21.7404 90; 90; 90 | 2172.17 | Xiong, Xiaodong; Yeung, Ying-Yeung Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications ACS Catalysis, 2018, 8, 4033 |
4515614 | CIF | C8 H7 Cl O2 | P 1 21/c 1 | 6.7838; 16.4432; 7.2539 90; 108.069; 90 | 769.25 | Xiong, Xiaodong; Yeung, Ying-Yeung Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications ACS Catalysis, 2018, 8, 4033 |
4515615 | CIF | C25 H21 Cl O3 | C 1 2/c 1 | 13.6694; 14.6546; 21.7416 90; 104.277; 90 | 4220.76 | Xiong, Xiaodong; Yeung, Ying-Yeung Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications ACS Catalysis, 2018, 8, 4033 |
4515616 | CIF | C8 H6 Br Cl O3 | P 1 21/c 1 | 4.1058; 17.9301; 12.4296 90; 93.138; 90 | 913.66 | Xiong, Xiaodong; Yeung, Ying-Yeung Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications ACS Catalysis, 2018, 8, 4033 |
4515617 | CIF | C12 H8 F2 O Se | P -1 | 5.6425; 9.1159; 11.1839 106.666; 102.943; 93.95 | 531.61 | Xiong, Xiaodong; Yeung, Ying-Yeung Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications ACS Catalysis, 2018, 8, 4033 |
4515618 | CIF | C7 H4 Br Cl O2 | P 1 21/n 1 | 7.7896; 13.5178; 15.0171 90; 101.499; 90 | 1549.54 | Xiong, Xiaodong; Yeung, Ying-Yeung Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications ACS Catalysis, 2018, 8, 4033 |
4515619 | CIF | C19 H17 Cl O3 | P 1 21 1 | 9.6791; 7.1917; 12.2628 90; 107.906; 90 | 812.26 | Xiong, Xiaodong; Yeung, Ying-Yeung Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications ACS Catalysis, 2018, 8, 4033 |
4515620 | CIF | C12 H9 Cl O | P 1 21/n 1 | 5.7829; 20.3532; 8.3091 90; 97.502; 90 | 969.61 | Xiong, Xiaodong; Yeung, Ying-Yeung Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications ACS Catalysis, 2018, 8, 4033 |
4515621 | CIF | C12 H16 B Cl O3 | I -4 | 19.7094; 19.7094; 6.8557 90; 90; 90 | 2663.2 | Xiong, Xiaodong; Yeung, Ying-Yeung Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications ACS Catalysis, 2018, 8, 4033 |
4515622 | CIF | C6 H4 Br Cl O | P 21 21 21 | 5.2204; 11.214; 11.717 90; 90; 90 | 685.9 | Xiong, Xiaodong; Yeung, Ying-Yeung Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications ACS Catalysis, 2018, 8, 4033 |
4515623 | CIF | C12 H10 Br2 Cl2 O4 | C 1 2/c 1 | 32.7811; 3.926; 21.7084 90; 91.5018; 90 | 2792.9 | Xiong, Xiaodong; Yeung, Ying-Yeung Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications ACS Catalysis, 2018, 8, 4033 |
4515624 | CIF | C48 H38 B Cl2 F27 Fe N4 O3 S | P -1 | 12.695; 13.3351; 17.1823 102.363; 97.011; 92.487 | 2812.8 | Postils, Verònica; Rodríguez, Mònica; Sabenya, Gerard; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Costas, Miquel; Solà, Miquel; Luis, Josep M. Mechanism of the Selective Fe-Catalyzed Arene Carbon‒Hydrogen Bond Functionalization ACS Catalysis, 2018, 8, 4313 |
4515625 | CIF | C26 H36 O4 S | P 1 21 1 | 9.0489; 8.4426; 15.648 90; 94.577; 90 | 1191.6 | Yu, Fei-Le; Bai, Da-Chang; Liu, Xiu-Yan; Jiang, Yang-Jie; Ding, Chang-Hua; Hou, Xue-Long Pd-Catalyzed Allylic Alkylation of gem-Alkyl,Aryl-Disubstituted Allyl Reagents with Ketones: Diastereoselective Construction of Vicinal Tertiary and Quaternary Carbon Centers ACS Catalysis, 2018, 8, 3317 |
4515626 | CIF | C16 H20 O | P 1 21/c 1 | 8.6633; 8.4114; 17.9313 90; 99.6888; 90 | 1288 | Yu, Fei-Le; Bai, Da-Chang; Liu, Xiu-Yan; Jiang, Yang-Jie; Ding, Chang-Hua; Hou, Xue-Long Pd-Catalyzed Allylic Alkylation of gem-Alkyl,Aryl-Disubstituted Allyl Reagents with Ketones: Diastereoselective Construction of Vicinal Tertiary and Quaternary Carbon Centers ACS Catalysis, 2018, 8, 3317 |
4515627 | CIF | C21 H21 N3 O3 S | P -1 | 6.3615; 10.4427; 15.1313 85.229; 87.86; 76.106 | 972.24 | Guin, Srimanta; Deb, Arghya; Dolui, Pravas; Chakraborty, Souvik; Singh, Vikas Kumar; Maiti, Debabrata Promoting Highly Diastereoselective γ-C‒H Chalcogenation of α-Amino Acids and Aliphatic Carboxylic Acids ACS Catalysis, 2018, 8, 2664 |
4515628 | CIF | C16 H20 O5 | P 21 21 21 | 8.793; 10.1042; 16.0484 90; 90; 90 | 1425.8 | Biosca, Maria; Margalef, Jèssica; Caldentey, Xisco; Besora, Maria; Rodríguez-Escrich, Carles; Saltó, Joan; Cambeiro, Xacobe C.; Maseras, Feliu; Pàmies, Oscar; Diéguez, Montserrat; Pericàs, Miquel A. Computationally Guided Design of a Readily Assembled Phosphite‒Thioether Ligand for a Broad Range of Pd-Catalyzed Asymmetric Allylic Substitutions ACS Catalysis, 2018, 8, 3587 |
4515629 | CIF | C13 H15 B F3 K | P 1 | 9.0823; 10.0446; 16.7815 72.627; 75.846; 89.976 | 1412.38 | Gao, De-Wei; Xiao, Yiyang; Liu, Mingyu; Liu, Zhen; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M. Catalytic, Enantioselective Synthesis of Allenyl Boronates. ACS catalysis, 2018, 8, 3650-3654 |
4515630 | CIF | C14 H13 N O4 | P 21 21 21 | 6.6275; 8.0167; 22.6419 90; 90; 90 | 1202.98 | Brandenberg, Oliver F.; Prier, Christopher K.; Chen, Kai; Knight, Anders M.; Wu, Zachary; Arnold, Frances H. Stereoselective Enzymatic Synthesis of Heteroatom-Substituted Cyclopropanes ACS Catalysis, 2018, 8, 2629 |
4515631 | CIF | C70 H110 Cl2 Co2 N4 P4 | P 1 21/n 1 | 10.4784; 22.1575; 15.6461 90; 105.074; 90 | 3507.6 | Suzuki, Tatsuya; Fujimoto, Keisuke; Takemoto, Yoshiyuki; Wasada-Tsutsui, Yuko; Ozawa, Tomohiro; Inomata, Tomohiko; Fryzuk, Michael D.; Masuda, Hideki Efficient Catalytic Conversion of Dinitrogen to N(SiMe3)3 Using a Homogeneous Mononuclear Cobalt Complex ACS Catalysis, 2018, 8, 3011 |
4515632 | CIF | C70 H110 Co2 N4 P4 | P 1 21/c 1 | 10.7673; 29.054; 12.6363 90; 117.372; 90 | 3510.5 | Suzuki, Tatsuya; Fujimoto, Keisuke; Takemoto, Yoshiyuki; Wasada-Tsutsui, Yuko; Ozawa, Tomohiro; Inomata, Tomohiko; Fryzuk, Michael D.; Masuda, Hideki Efficient Catalytic Conversion of Dinitrogen to N(SiMe3)3 Using a Homogeneous Mononuclear Cobalt Complex ACS Catalysis, 2018, 8, 3011 |
4515633 | CIF | C23 H34 N6 O3 S | P 1 21 1 | 9.2161; 12.7576; 10.9094 90; 95.835; 90 | 1276.03 | Nicholls, Rachel L.; McManus, James A.; Rayner, Christopher M.; Morales-Serna, José A.; White, Andrew J. P.; Nguyen, Bao N. Guanidine-Catalyzed Reductive Amination of Carbon Dioxide with Silanes: Switching between Pathways and Suppressing Catalyst Deactivation ACS Catalysis, 2018, 8, 3678 |
4515634 | CIF | C23 H16 O2 | C 1 2/c 1 | 15.5099; 7.5217; 28.568 90; 99.09; 90 | 3290.9 | Mondal, Atanu; Hazra, Raju; Grover, Jagdeep; Raghu, Moluguri; Ramasastry, S. S. V. Organophosphine-Catalyzed Intramolecular Hydroacylation of Activated Alkynes ACS Catalysis, 2018, 8, 2748 |
4515635 | CIF | C15 H22 Br N O | P 1 21 1 | 7.5964; 16.0907; 12.1098 90; 99.736; 90 | 1458.88 | Liu, Ze-Shui; Qian, Guangyin; Gao, Qianwen; Wang, Peng; Cheng, Hong-Gang; Wei, Qiang; Liu, Qi; Zhou, Qianghui Palladium/Norbornene Cooperative Catalysis To Access Tetrahydronaphthalenes and Indanes with a Quaternary Center ACS Catalysis, 2018, 8, 4783 |
4515636 | CIF | C29 H30 O5 | P 1 21/n 1 | 10.573; 16.555; 14.695 90; 104.784; 90 | 2487 | Liu, Ze-Shui; Qian, Guangyin; Gao, Qianwen; Wang, Peng; Cheng, Hong-Gang; Wei, Qiang; Liu, Qi; Zhou, Qianghui Palladium/Norbornene Cooperative Catalysis To Access Tetrahydronaphthalenes and Indanes with a Quaternary Center ACS Catalysis, 2018, 8, 4783 |
4515637 | CIF | C13 H17 N O5 S | P 1 21/n 1 | 5.923; 16.864; 14.255 90; 92.357; 90 | 1422.7 | Kishi, Kenta; Takizawa, Shinobu; Sasai, Hiroaki Phosphine-Catalyzed Dual Umpolung Domino Michael Reaction: Facile Synthesis of Hydroindole- and Hydrobenzofuran-2-Carboxylates ACS Catalysis, 2018, 8, 5228 |
4515638 | CIF | C37 H47 Mo N3 O | P 1 21/n 1 | 15.8128; 13.0267; 16.0929 90; 98.231; 90 | 3280.8 | Joannou, Matthew V.; Bezdek, Máté J.; Chirik, Paul J. Pyridine(diimine) Molybdenum-Catalyzed Hydrogenation of Arenes and Hindered Olefins: Insights into Precatalyst Activation and Deactivation Pathways ACS Catalysis, 2018, 8, 5276 |
4515639 | CIF | C47 H60 Mo N5 O | F d d 2 | 32.0833; 33.7453; 17.8428 90; 90; 90 | 19317.7 | Joannou, Matthew V.; Bezdek, Máté J.; Chirik, Paul J. Pyridine(diimine) Molybdenum-Catalyzed Hydrogenation of Arenes and Hindered Olefins: Insights into Precatalyst Activation and Deactivation Pathways ACS Catalysis, 2018, 8, 5276 |
4515640 | CIF | C41 H65 Mo N3 Si2 | P 1 21/c 1 | 11.264; 17.5505; 23.2268 90; 115.23; 90 | 4153.65 | Joannou, Matthew V.; Bezdek, Máté J.; Chirik, Paul J. Pyridine(diimine) Molybdenum-Catalyzed Hydrogenation of Arenes and Hindered Olefins: Insights into Precatalyst Activation and Deactivation Pathways ACS Catalysis, 2018, 8, 5276 |
4515641 | CIF | C41 H50 Cl6 N P Pd | P 21 21 21 | 13.8095; 15.6122; 19.5369 90; 90; 90 | 4212.1 | Ding, Linlin; Sui, Xianwei; Gu, Zhenhua Enantioselective Synthesis of Biaryl Atropisomers via Pd/Norbornene-Catalyzed Three-Component Cross-Couplings ACS Catalysis, 2018, 8, 5630 |
4515642 | CIF | C25.5 H15 Cl5 O3 | P 1 21 1 | 11.39996; 31.0942; 19.9369 90; 96.7204; 90 | 7018.53 | Ding, Linlin; Sui, Xianwei; Gu, Zhenhua Enantioselective Synthesis of Biaryl Atropisomers via Pd/Norbornene-Catalyzed Three-Component Cross-Couplings ACS Catalysis, 2018, 8, 5630 |
4515643 | CIF | C29 H34 Cl N O5 | P 1 21 1 | 8.4142; 14.046; 11.3304 90; 104.324; 90 | 1297.5 | Kuang, Xiao-Kang; Zhu, Jun; Zhou, Li; Wang, Lijia; Wang, Sunewang R.; Tang, Yong Synergetic Tandem Enantiomeric Enrichment in Catalytic Asymmetric Multi-Component Reactions (AMCRs): Highly Enantioselective Construction of Tetracyclic Indolines with Four Continuous Stereocenters ACS Catalysis, 2018, 8, 4991 |
4515644 | CIF | C21 H27 N O5 | P 1 21/c 1 | 12.432; 11.174; 14.1728 90; 96.117; 90 | 1957.6 | Kuang, Xiao-Kang; Zhu, Jun; Zhou, Li; Wang, Lijia; Wang, Sunewang R.; Tang, Yong Synergetic Tandem Enantiomeric Enrichment in Catalytic Asymmetric Multi-Component Reactions (AMCRs): Highly Enantioselective Construction of Tetracyclic Indolines with Four Continuous Stereocenters ACS Catalysis, 2018, 8, 4991 |
4515645 | CIF | C21 H27 N O5 | P 1 21/c 1 | 8.3767; 12.1262; 39.035 90; 93.093; 90 | 3959.3 | Kuang, Xiao-Kang; Zhu, Jun; Zhou, Li; Wang, Lijia; Wang, Sunewang R.; Tang, Yong Synergetic Tandem Enantiomeric Enrichment in Catalytic Asymmetric Multi-Component Reactions (AMCRs): Highly Enantioselective Construction of Tetracyclic Indolines with Four Continuous Stereocenters ACS Catalysis, 2018, 8, 4991 |
4515646 | CIF | C39 H38 Br N O Si2 | P 21 21 21 | 9.6879; 9.8487; 34.927 90; 90; 90 | 3332.5 | Meng, Fei-Fan; Xie, Jia-Hao; Xu, Yun-He; Loh, Teck-Peng Catalytically Asymmetric Synthesis of 1,3-Bis(silyl)propenes via Copper-Catalyzed Double Proto-Silylations of Polar Enynes ACS Catalysis, 2018, 8, 5306 |
4515647 | CIF | C15 H21 N O2 S | P 1 21/c 1 | 16.125; 6.8205; 13.1663 90; 96.287; 90 | 1439.33 | Liu, Ruzhang; Ge, Hua; Chen, Kuanwei; Xue, Huaiguo Selectivity in Olefin-Intervened Macrocyclic Ring-Closing Metathesis ACS Catalysis, 2018, 8, 5574 |
4515648 | CIF | C30 H42 N2 O4 S2 | P 1 21/n 1 | 19.6621; 8.3363; 19.9464 90; 112.146; 90 | 3028.2 | Liu, Ruzhang; Ge, Hua; Chen, Kuanwei; Xue, Huaiguo Selectivity in Olefin-Intervened Macrocyclic Ring-Closing Metathesis ACS Catalysis, 2018, 8, 5574 |
4515649 | CIF | C30 H42 N2 O4 S2 | P n a 21 | 32.802; 8.4124; 10.9145 90; 90; 90 | 3011.8 | Liu, Ruzhang; Ge, Hua; Chen, Kuanwei; Xue, Huaiguo Selectivity in Olefin-Intervened Macrocyclic Ring-Closing Metathesis ACS Catalysis, 2018, 8, 5574 |
4515650 | CIF | C13 H17 N O2 S | P 1 21/n 1 | 7.851; 10.524; 15.813 90; 98.263; 90 | 1293 | Liu, Ruzhang; Ge, Hua; Chen, Kuanwei; Xue, Huaiguo Selectivity in Olefin-Intervened Macrocyclic Ring-Closing Metathesis ACS Catalysis, 2018, 8, 5574 |
4515651 | CIF | C16 H25 O2 P | P 1 21 1 | 8.589; 5.946; 15.333 90; 100.966; 90 | 768.8 | Smaligo, Andrew J.; Vardhineedi, Sriramurthy; Kwon, Ohyun Carvone-Derived P-Stereogenic Phosphines: Design, Synthesis, and Use in Allene-Imine [3 + 2] Annulation. ACS catalysis, 2018, 8, 5188-5192 |
4515652 | CIF | C16 H23 O3 P | P 1 21 1 | 10.2543; 10.9798; 13.7645 90; 90.59; 90 | 1549.67 | Smaligo, Andrew J.; Vardhineedi, Sriramurthy; Kwon, Ohyun Carvone-Derived P-Stereogenic Phosphines: Design, Synthesis, and Use in Allene-Imine [3 + 2] Annulation. ACS catalysis, 2018, 8, 5188-5192 |
4515653 | CIF | C25 H18 Cl F3 O2 S | P 21 21 21 | 7.8069; 7.8369; 35.3156 90; 90; 90 | 2160.68 | Maddox, Sean M.; Dawson, Gregory A.; Rochester, Nicholas C.; Ayonon, Arianna B.; Moore, Curtis E.; Rheingold, Arnold L.; Gustafson, Jeffrey L. Enantioselective Synthesis of Biaryl Atropisomers via the Addition of Thiophenols into Aryl-Naphthoquinones. ACS catalysis, 2018, 8, 5443-5447 |
4515654 | CIF | C26 H21 F3 O2 S | P 1 21 1 | 7.7702; 7.7862; 17.9926 90; 100.144; 90 | 1071.54 | Maddox, Sean M.; Dawson, Gregory A.; Rochester, Nicholas C.; Ayonon, Arianna B.; Moore, Curtis E.; Rheingold, Arnold L.; Gustafson, Jeffrey L. Enantioselective Synthesis of Biaryl Atropisomers via the Addition of Thiophenols into Aryl-Naphthoquinones. ACS catalysis, 2018, 8, 5443-5447 |
4515655 | CIF | C23.7 H15 Cl2.1 D0.7 F3 O4 S | P 21 21 21 | 9.3182; 10.5061; 24.8751 90; 90; 90 | 2435.2 | Maddox, Sean M.; Dawson, Gregory A.; Rochester, Nicholas C.; Ayonon, Arianna B.; Moore, Curtis E.; Rheingold, Arnold L.; Gustafson, Jeffrey L. Enantioselective Synthesis of Biaryl Atropisomers via the Addition of Thiophenols into Aryl-Naphthoquinones. ACS catalysis, 2018, 8, 5443-5447 |
4515656 | CIF | C21 H20 N2 O3 | P 1 21/n 1 | 13.218; 8.696; 16.546 90; 98.483; 90 | 1881.1 | Pang, Shuai; Yang, Xing; Cao, Ze-Hun; Zhang, Yu-Long; Zhao, Yan; Huang, Yi-Yong Intermolecular [2 + 2] Cycloaddition/Isomerization of Allenyl Imides and Unactivated Imines for the Synthesis of 1-Azadienes Catalyzed by a Ni(ClO4)2·6H2O Lewis Acid ACS Catalysis, 2018, 8, 5193 |
4515657 | CIF | C22 H22 N2 O4 | P 1 21/n 1 | 10.559; 8.848; 20.03 90; 91.424; 90 | 1870.7 | Pang, Shuai; Yang, Xing; Cao, Ze-Hun; Zhang, Yu-Long; Zhao, Yan; Huang, Yi-Yong Intermolecular [2 + 2] Cycloaddition/Isomerization of Allenyl Imides and Unactivated Imines for the Synthesis of 1-Azadienes Catalyzed by a Ni(ClO4)2·6H2O Lewis Acid ACS Catalysis, 2018, 8, 5193 |
4515658 | CIF | C16 H21 Cl2 Fe N9 O2 | P n a 21 | 13.7551; 18.856; 8.4263 90; 90; 90 | 2185.5 | Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis. ACS catalysis, 2018, 8, 5032-5037 |
4515659 | CIF | C15 H19 F3 N2 O4 S | P -1 | 7.6537; 10.3038; 11.7 69.471; 74.774; 75.983 | 822.2 | Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis. ACS catalysis, 2018, 8, 5032-5037 |
4515660 | CIF | C18 H22 Cl3 F3 N2 O4 S | P 21 21 21 | 6.1287; 17.2349; 21.6302 90; 90; 90 | 2284.74 | Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis. ACS catalysis, 2018, 8, 5032-5037 |
4515661 | CIF | C14 H22 F3 N O2 | P 1 21/c 1 | 11.8893; 5.2263; 24.518 90; 96.137; 90 | 1514.75 | Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis. ACS catalysis, 2018, 8, 5032-5037 |
4515662 | CIF | C16 H26 F3 N O2 | P 21 21 21 | 11.579; 16.9733; 18.2465 90; 90; 90 | 3586.05 | Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis. ACS catalysis, 2018, 8, 5032-5037 |
4515663 | CIF | C19 H25 F3 N2 O4 | P 1 21/c 1 | 14.9198; 13.8571; 9.9498 90; 95.4351; 90 | 2047.82 | Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis. ACS catalysis, 2018, 8, 5032-5037 |
4515664 | CIF | C17 H39 As Co K2 Mo6 N O39.5 | P -1 | 12.0872; 12.5682; 17.2255 76.7; 74.058; 76.399 | 2407 | Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands ACS Catalysis, 2018, 8, 6062 |
4515665 | CIF | C17 H44 As K2 Mo6 N Ni O42 | P -1 | 11.9612; 12.5318; 17.1943 76.499; 74.053; 76.535 | 2370.12 | Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands ACS Catalysis, 2018, 8, 6062 |
4515666 | CIF | C17 H40 As K2 Mo6 N O41 Zn | P -1 | 12.1425; 12.5739; 17.2226 76.443; 74.062; 76.225 | 2415.16 | Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands ACS Catalysis, 2018, 8, 6062 |
4515667 | CIF | C17 H39 As K2 Mn Mo6 N O40 | P -1 | 12.2865; 12.6065; 17.2145 76.319; 73.933; 76.064 | 2445.2 | Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands ACS Catalysis, 2018, 8, 6062 |
4515668 | CIF | C18 H87 As2 Co0.5 K3 Mo12 N6 Na O77.5 | P -1 | 16.1055; 18.5246; 19.0707 75.701; 65.877; 64.845 | 4681.8 | Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands ACS Catalysis, 2018, 8, 6062 |
4515669 | CIF | C21 H44 As Co0.5 K5 Mo6 O44.5 | P -1 | 12.6575; 12.671; 18.5916 105.723; 91.318; 106.19 | 2740.7 | Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands ACS Catalysis, 2018, 8, 6062 |
4515670 | CIF | C47.5 H70 N2 Ni O8 | P -1 | 11.54858; 30.1957; 32.8403 64.8392; 80.3426; 86.1838 | 10218.4 | Nett, Alex J.; Cañellas, Santiago; Higuchi, Yuki; Robo, Michael T.; Kochkodan, Jeanne M.; Haynes, 2nd, M Taylor; Kampf, Jeff W.; Montgomery, John Stable, Well-Defined Nickel(0) Catalysts for Catalytic C-C and C-N Bond Formation. ACS catalysis, 2018, 8, 6606-6611 |
4515671 | CIF | C97 H92 N2 Ni O8.5 | P -1 | 14.0561; 14.806; 22.1265 93.854; 102.679; 118.29 | 3876.59 | Nett, Alex J.; Cañellas, Santiago; Higuchi, Yuki; Robo, Michael T.; Kochkodan, Jeanne M.; Haynes, 2nd, M Taylor; Kampf, Jeff W.; Montgomery, John Stable, Well-Defined Nickel(0) Catalysts for Catalytic C-C and C-N Bond Formation. ACS catalysis, 2018, 8, 6606-6611 |
4515672 | CIF | C27 H22 N2 O3 | C 1 2/c 1 | 14.2005; 10.38306; 28.0529 90; 102.226; 90 | 4042.44 | Rej, Supriya; Chatani, Naoto Rhodium(I)-Catalyzed C8-Alkylation of 1-Naphthylamide Derivatives with Alkenes through a Bidentate Picolinamide Chelation System ACS Catalysis, 2018, 8, 6699 |
4515673 | CIF | C27 H36 I4 N2 S | P -1 | 10.6361; 16.8158; 19.6467 91.7164; 105.424; 93.774 | 3375.9 | Horibe, Takahiro; Tsuji, Yasutaka; Ishihara, Kazuaki Thiourea‒I2 as Lewis Base‒Lewis Acid Cooperative Catalysts for Iodochlorination of Alkene with In Situ-Generated I‒Cl ACS Catalysis, 2018, 8, 6362 |
4515674 | CIF | C27 H36 Cl I3 N2 S | P 1 21/n 1 | 10.689; 18.743; 16.225 90; 102.555; 90 | 3172.9 | Horibe, Takahiro; Tsuji, Yasutaka; Ishihara, Kazuaki Thiourea‒I2 as Lewis Base‒Lewis Acid Cooperative Catalysts for Iodochlorination of Alkene with In Situ-Generated I‒Cl ACS Catalysis, 2018, 8, 6362 |
4515675 | CIF | C17 H20 O7 | P c a 21 | 12.9176; 15.173; 16.7769 90; 90; 90 | 3288.25 | Shu, Wei; Merino, Estíbaliz; Nevado, Cristina Visible Light Mediated, Redox Neutral Remote 1,6-Difunctionalizations of Alkenes ACS Catalysis, 2018, 8, 6401 |
4515676 | CIF | C27 H39 N2 Sc Si2 | P 1 21/c 1 | 16.7493; 17.9477; 9.7237 90; 105.053; 90 | 2822.8 | Li, Shihui; Liu, Dongtao; Wang, Zichuan; Cui, Dongmei Development of Group 3 Catalysts for Alternating Copolymerization of Ethylene and Styrene Derivatives ACS Catalysis, 2018, 8, 6086 |
4515677 | CIF | C33 H41 N3 O3 | P -1 | 11.5304; 11.8994; 12.6132 107.862; 96.62; 114.133 | 1444.35 | Li, Zhenghua; Song, Liangliang; Van Meervelt, Luc; Tian, Guilong; Van der Eycken, Erik V. Cationic Gold(I)-Catalyzed Cascade Bicyclizations for Divergent Synthesis of (Spiro)polyheterocycles ACS Catalysis, 2018, 8, 6388 |
4515678 | CIF | C21 H22 N2 O2 S | P 21 21 21 | 9.2626; 11.273; 36.0958 90; 90; 90 | 3769 | Rigotti, Thomas; Casado-Sánchez, Antonio; Cabrera, Silvia; Pérez-Ruiz, Raúl; Liras, Marta; de la Peña O’Shea, Víctor A.; Alemán, José A Bifunctional Photoaminocatalyst for the Alkylation of Aldehydes: Design, Analysis, and Mechanistic Studies ACS Catalysis, 2018, 8, 5928 |
4515679 | CIF | C24 H20 N2 O2 S | P 1 21 1 | 7.3859; 14.0495; 19.8207 90; 95.797; 90 | 2046.24 | Rigotti, Thomas; Casado-Sánchez, Antonio; Cabrera, Silvia; Pérez-Ruiz, Raúl; Liras, Marta; de la Peña O’Shea, Víctor A.; Alemán, José A Bifunctional Photoaminocatalyst for the Alkylation of Aldehydes: Design, Analysis, and Mechanistic Studies ACS Catalysis, 2018, 8, 5928 |
4515680 | CIF | C22 H17 N3 O2 | P 1 21/c 1 | 6.0252; 14.9032; 19.2088 90; 93.713; 90 | 1721.23 | Zhai, Shengxian; Qiu, Shuxian; Chen, Xiaoming; Tao, Cheng; Li, Yun; Cheng, Bin; Wang, Huifei; Zhai, Hongbin Trifunctionalization of Allenes via Cobalt-Catalyzed MHP-Assisted C‒H Bond Functionalization and Molecular Oxygen Activation ACS Catalysis, 2018, 8, 6645 |
4515681 | CIF | C38 H22 Cl2 | C 1 2/c 1 | 15.8675; 11.3225; 16.9255 90; 116.905; 90 | 2711.7 | Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation ACS Catalysis, 2018, 8, 6079 |
4515682 | CIF | C40 H26 Cl2 | C 1 2/c 1 | 16.6618; 12.3936; 16.076 90; 119.312; 90 | 2894.7 | Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation ACS Catalysis, 2018, 8, 6079 |
4515683 | CIF | C45 H54 O | P -1 | 13.048; 15.9745; 20.3351 69.8393; 74.7061; 79.3386 | 3817.17 | Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation ACS Catalysis, 2018, 8, 6079 |
4515684 | CIF | C115 H108 Cl2 F36 N6 O8 P2 Sb2 | P 4 21 2 | 23.156; 23.156; 45.3164 90; 90; 90 | 24298.7 | Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation ACS Catalysis, 2018, 8, 6079 |
4515685 | CIF | C40 H28 | C 1 2/c 1 | 24.6931; 9.8945; 11.3008 90; 107.002; 90 | 2640.4 | Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation ACS Catalysis, 2018, 8, 6079 |
4515686 | CIF | C57 H53 Au Cl F18 N3 O4 P Sb | P 21 21 21 | 11.625; 21.7951; 24.924 90; 90; 90 | 6314.9 | Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation ACS Catalysis, 2018, 8, 6079 |
4515687 | CIF | C85 H148 Au4 Cl4 F24 N4 O10 P4 S2 Sb4 | P -1 | 14.1224; 14.3201; 16.3265 111.05; 108.05; 90.835 | 2900.2 | Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation ACS Catalysis, 2018, 8, 6079 |
4515688 | CIF | C42 H50 Cl2 F6 N2 O4 P Sb | P 21 21 21 | 14.5593; 16.985; 18.089 90; 90; 90 | 4473.2 | Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation ACS Catalysis, 2018, 8, 6079 |
4515689 | CIF | C64 H59 Cl2 F18 N3 O4 P Sb | P 1 21 1 | 11.2724; 25.712; 22.718 90; 98.349; 90 | 6514.7 | Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation ACS Catalysis, 2018, 8, 6079 |
4515690 | CIF | C28 H18 Br2 | P 21 21 21 | 6.7543; 9.853; 31.4363 90; 90; 90 | 2092.09 | Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation ACS Catalysis, 2018, 8, 6079 |
4515691 | CIF | C63 H59 Au Cl3 F18 N3 O4 P Sb | P 1 21 1 | 11.5608; 22.3675; 14.1582 90; 95.008; 90 | 3647.1 | Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation ACS Catalysis, 2018, 8, 6079 |
4515692 | CIF | C56 H48 Au Cl5 F18 N2 O4 P Sb | P 21 21 21 | 11.8911; 20.269; 26.818 90; 90; 90 | 6463.7 | Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation ACS Catalysis, 2018, 8, 6079 |
4515693 | CIF | C40 H25.94 Cl2.06 | P 1 21/c 1 | 17.9011; 8.3634; 19.4197 90; 90.871; 90 | 2907.1 | Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation ACS Catalysis, 2018, 8, 6079 |
4515694 | CIF | C21 H25 N3 | P -1 | 8.0652; 8.3219; 14.129 77.347; 83.454; 80.93 | 910.59 | Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation ACS Catalysis, 2018, 8, 6079 |
4515695 | CIF | C23 H21 N O | P -1 | 11.8311; 12.7714; 12.7734 69.209; 81.613; 86.471 | 1785 | Li, Deng-Yuan; Liu, Shuo; Chen, Shuang; Wang, An; Zhu, Xiao-Ping; Liu, Pei-Nian Dual Role of Aryl Iodide in Cascade C‒H Arylation/Amination: Arylation Reagent and Cocatalyst for C‒N Formation ACS Catalysis, 2018, 8, 6407 |
4515696 | CIF | C20 H26 N O4 Zn | P 1 21/n 1 | 10.811; 16.451; 11.445 90; 101.668; 90 | 1993.5 | Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes ACS Catalysis, 2018, 8, 6186 |
4515697 | CIF | C28 H47 Ni O4 P | P -1 | 10.2938; 16.839; 17.23 73.123; 78.321; 87.036 | 2798.7 | Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes ACS Catalysis, 2018, 8, 6186 |
4515698 | CIF | C13 H22 B N O2 | P 1 21/n 1 | 7.204; 34.935; 11.091 90; 92.218; 90 | 2789 | Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes ACS Catalysis, 2018, 8, 6186 |
4515699 | CIF | C24 H32 N2 Ni O4 | P -1 | 7.96; 8.085; 9.656 108.25; 93.812; 94.208 | 585.9 | Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes ACS Catalysis, 2018, 8, 6186 |
4515700 | CIF | C25 H41 Ni O4 P | P -1 | 10.001; 10.415; 13.862 76.659; 77.984; 62.798 | 1240.7 | Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes ACS Catalysis, 2018, 8, 6186 |
4515701 | CIF | C22 H22 F6 N2 Ni O4 | P -1 | 6.3927; 8.606; 10.965 86.398; 79.115; 86.957 | 590.7 | Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes ACS Catalysis, 2018, 8, 6186 |
4515702 | CIF | C24 H28 N2 Ni O8 | P -1 | 6.736; 8.129; 11.969 101.952; 99.095; 99.806 | 619 | Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes ACS Catalysis, 2018, 8, 6186 |
4515703 | CIF | C24 H20 N2 O6 Pd | P -1 | 8.78; 10; 13.272 101.969; 98.6857; 103.084 | 1086.1 | Hirano, Masafumi; Sano, Kosuke; Kanazawa, Yuki; Komine, Nobuyuki; Maeno, Zen; Mitsudome, Takato; Takaya, Hikaru Mechanistic Insights on Pd/Cu-Catalyzed Dehydrogenative Coupling of Dimethyl Phthalate ACS Catalysis, 2018, 8, 5827 |
4515704 | CIF | C22 H17 I N2 O4 Pd | P 1 21/c 1 | 7.939; 16.611; 16.219 90; 93.262; 90 | 2135.4 | Hirano, Masafumi; Sano, Kosuke; Kanazawa, Yuki; Komine, Nobuyuki; Maeno, Zen; Mitsudome, Takato; Takaya, Hikaru Mechanistic Insights on Pd/Cu-Catalyzed Dehydrogenative Coupling of Dimethyl Phthalate ACS Catalysis, 2018, 8, 5827 |
4515705 | CIF | C20 H18 O8 | C 1 2/c 1 | 18.828; 8.059; 12.153 90; 91.24; 90 | 1844 | Hirano, Masafumi; Sano, Kosuke; Kanazawa, Yuki; Komine, Nobuyuki; Maeno, Zen; Mitsudome, Takato; Takaya, Hikaru Mechanistic Insights on Pd/Cu-Catalyzed Dehydrogenative Coupling of Dimethyl Phthalate ACS Catalysis, 2018, 8, 5827 |
4515706 | CIF | C21 H18 Br2 | P 1 21/c 1 | 7.258; 18.732; 12.399 90; 93.746; 90 | 1682.1 | Su, Xiang; Chen, Bifeng; Wang, Shaohong; Chen, Hui; Chen, Chao Atom- and Step-Efficient Construction of Five-Membered Carbocycles with Alkenes and Alkynes Catalyzed by AgSbF6 ACS Catalysis, 2018, 8, 7760 |
4515707 | CIF | C17 H15 N O5 | C 1 2 1 | 21.4471; 6.4084; 12.069 90; 113.464; 90 | 1521.62 | Li, Kaizhi; Jin, Zhichao; Chan, Wai-Lun; Lu, Yixin Enantioselective Construction of Bicyclic Pyran and Hydrindane Scaffolds via Intramolecular Rauhut‒Currier Reactions Catalyzed by Thiourea-Phosphines ACS Catalysis, 2018, 8, 8810 |
4515708 | CIF | C19 H17 Br O3 | P 21 21 21 | 8.8312; 11.2095; 16.7904 90; 90; 90 | 1662.14 | Li, Kaizhi; Jin, Zhichao; Chan, Wai-Lun; Lu, Yixin Enantioselective Construction of Bicyclic Pyran and Hydrindane Scaffolds via Intramolecular Rauhut‒Currier Reactions Catalyzed by Thiourea-Phosphines ACS Catalysis, 2018, 8, 8810 |
4515709 | CIF | C17 H12 N2 O4 | P 1 21/c 1 | 6.8554; 18.0992; 11.1588 90; 92.472; 90 | 1383.26 | Chen, Fei; Lai, Sheng-Qiang; Zhu, Fei-Fei; Meng, Qiang; Jiang, Yu; Yu, Wei; Han, Bing Cu-Catalyzed Radical Cascade Annulations of Alkyne-Tethered N-Alkoxyamides with Air: Facile Access to Isoxazolidine/1,2-Oxazinane-Fused Isoquinolin-1(2H)-ones ACS Catalysis, 2018, 8, 8925 |
4515710 | CIF | C18 H29 Cl Ir N O | P -1 | 8.6737; 8.7731; 13.6686 78.458; 75.85; 88.359 | 987.94 | Tan, Guangying; You, Qiulin; You, Jingsong Iridium-Catalyzed Oxidative Heteroarylation of Arenes and Alkenes: Overcoming the Restriction to Specific Substrates ACS Catalysis, 2018, 8, 8709 |
4515711 | CIF | C32 H38 N2 O2 S2 | P 1 21/n 1 | 12.5365; 14.4554; 17.4788 90; 103.091; 90 | 3085.19 | Tan, Guangying; You, Qiulin; You, Jingsong Iridium-Catalyzed Oxidative Heteroarylation of Arenes and Alkenes: Overcoming the Restriction to Specific Substrates ACS Catalysis, 2018, 8, 8709 |
4515712 | CIF | C30 H12.5 Al Cl F15.5 N | P 1 21/c 1 | 10.307; 26.879; 20.89 90; 101.156; 90 | 5678 | Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair ACS Catalysis, 2018, 8, 8765 |
4515713 | CIF | C22 H21 N Si | P -1 | 9.3329; 10.0874; 11.22 67.672; 88.245; 65.949 | 882.58 | Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair ACS Catalysis, 2018, 8, 8765 |
4515714 | CIF | C27 H14 Al F16 N4 | P -1 | 10.4075; 10.6369; 13.0972 79.781; 79.01; 71.612 | 1339.9 | Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair ACS Catalysis, 2018, 8, 8765 |
4515715 | CIF | C27 H9 Al F15 N | P 1 21 1 | 7.4782; 17.022; 9.979 90; 107.975; 90 | 1208.3 | Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair ACS Catalysis, 2018, 8, 8765 |
4515716 | CIF | C15 H11 F3 O2 S2 | P 1 21/c 1 | 11.7791; 5.8649; 21.894 90; 92.863; 90 | 1510.6 | Li, Haoyu; Cheng, Zengrui; Tung, Chen-Ho; Xu, Zhenghu Atom Transfer Radical Addition to Alkynes and Enynes: A Versatile Gold/Photoredox Approach to Thio-Functionalized Vinylsulfones ACS Catalysis, 2018, 8, 8237 |
4515717 | CIF | C21 H20 F4 O3 S2 | P 1 21/c 1 | 10.219; 20.254; 10.852 90; 107.747; 90 | 2139 | Li, Haoyu; Cheng, Zengrui; Tung, Chen-Ho; Xu, Zhenghu Atom Transfer Radical Addition to Alkynes and Enynes: A Versatile Gold/Photoredox Approach to Thio-Functionalized Vinylsulfones ACS Catalysis, 2018, 8, 8237 |
4515718 | CIF | C21 H36 Mn N O2 P2 | C 1 2/c 1 | 18.6272; 10.623; 23.1001 90; 101.192; 90 | 4484.04 | Zou, You-Quan; Chakraborty, Subrata; Nerush, Alexander; Oren, Dror; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David Highly Selective, Efficient Deoxygenative Hydrogenation of Amides Catalyzed by a Manganese Pincer Complex via Metal-Ligand Cooperation. ACS catalysis, 2018, 8, 8014-8019 |
4515719 | CIF | C42 H68 Mn2 N4 O4 P4 | P 1 21/c 1 | 11.6109; 18.5885; 21.5322 90; 99.218; 90 | 4587.26 | Zou, You-Quan; Chakraborty, Subrata; Nerush, Alexander; Oren, Dror; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David Highly Selective, Efficient Deoxygenative Hydrogenation of Amides Catalyzed by a Manganese Pincer Complex via Metal-Ligand Cooperation. ACS catalysis, 2018, 8, 8014-8019 |
4515720 | CIF | C29 H55 Fe N3 P2 Si2 | P 1 21/c 1 | 12.7712; 19.068; 15.4049 90; 110.526; 90 | 3513.3 | Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes ACS Catalysis, 2018, 8, 7973 |
4515721 | CIF | C35 H67 Fe N3 P3 Si2 | P -1 | 10.589; 12.811; 15.92 92.93; 104.249; 99.001 | 2058.3 | Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes ACS Catalysis, 2018, 8, 7973 |
4515722 | CIF | C31 H58 Fe N4 P2 Si2 | P 1 21/c 1 | 16.778; 15.4527; 16.706 90; 99.322; 90 | 4274.1 | Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes ACS Catalysis, 2018, 8, 7973 |
4515723 | CIF | C40 H50 Fe N6 P2 | P 1 21/n 1 | 18.6843; 11.1179; 18.9515 90; 110.665; 90 | 3683.5 | Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes ACS Catalysis, 2018, 8, 7973 |
4515724 | CIF | C39 H58 B Fe N5 O2 P2 | P 1 21/c 1 | 18.764; 11.2867; 20.592 90; 114.08; 90 | 3981.5 | Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes ACS Catalysis, 2018, 8, 7973 |
4515725 | CIF | C22 H24 Cl N O Ru | P 1 21/n 1 | 11.6782; 8.2226; 20.44 90; 99.939; 90 | 1933.3 | Zhang, Luoqiang; Zhu, Lei; Zhang, Yuming; Yang, Yudong; Wu, Yimin; Ma, Weixin; Lan, Yu; You, Jingsong Experimental and Theoretical Studies on Ru(II)-Catalyzed Oxidative C‒H/C‒H Coupling of Phenols with Aromatic Amides Using Air as Oxidant: Scope, Synthetic Applications, and Mechanistic Insights ACS Catalysis, 2018, 8, 8324 |
4515726 | CIF | C23 H24 N2 O2 | P 1 21/c 1 | 8.295; 11.086; 21.615 90; 93.5; 90 | 1984 | Zhang, Luoqiang; Zhu, Lei; Zhang, Yuming; Yang, Yudong; Wu, Yimin; Ma, Weixin; Lan, Yu; You, Jingsong Experimental and Theoretical Studies on Ru(II)-Catalyzed Oxidative C‒H/C‒H Coupling of Phenols with Aromatic Amides Using Air as Oxidant: Scope, Synthetic Applications, and Mechanistic Insights ACS Catalysis, 2018, 8, 8324 |
4515727 | CIF | C33 H39 F6 N2 O2 Ru Sb | P 1 21/c 1 | 13.2275; 10.9193; 24.4944 90; 98.3993; 90 | 3499.9 | Zhang, Luoqiang; Zhu, Lei; Zhang, Yuming; Yang, Yudong; Wu, Yimin; Ma, Weixin; Lan, Yu; You, Jingsong Experimental and Theoretical Studies on Ru(II)-Catalyzed Oxidative C‒H/C‒H Coupling of Phenols with Aromatic Amides Using Air as Oxidant: Scope, Synthetic Applications, and Mechanistic Insights ACS Catalysis, 2018, 8, 8324 |
4515728 | CIF | C47 H43 Br Mn N O4 P2 | P -1 | 12.0659; 12.6901; 13.3087 94.285; 102.738; 90.704 | 1981.22 | Daw, Prosenjit; Kumar, Amit; Espinosa-Jalapa, Noel Angel; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David Synthesis of Pyrazines and Quinoxalines via Acceptorless Dehydrogenative Coupling Routes Catalyzed by Manganese Pincer Complexes. ACS catalysis, 2018, 8, 7734-7741 |
4515729 | CIF | C39 H31 B Mn N O2 P2 | P -1 | 10.0379; 11.3687; 15.6568 73.97; 77.542; 72.82 | 1623.02 | Daw, Prosenjit; Kumar, Amit; Espinosa-Jalapa, Noel Angel; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David Synthesis of Pyrazines and Quinoxalines via Acceptorless Dehydrogenative Coupling Routes Catalyzed by Manganese Pincer Complexes. ACS catalysis, 2018, 8, 7734-7741 |
4515730 | CIF | C39 H31 Mn N2 O2 P2 | R -3 :H | 37.5012; 37.5012; 11.98047 90; 90; 120 | 14591.3 | Daw, Prosenjit; Kumar, Amit; Espinosa-Jalapa, Noel Angel; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David Synthesis of Pyrazines and Quinoxalines via Acceptorless Dehydrogenative Coupling Routes Catalyzed by Manganese Pincer Complexes. ACS catalysis, 2018, 8, 7734-7741 |
4515731 | CIF | C20 H20 Br Cl2 N O Pt | P 1 21/c 1 | 9.7404; 13.3126; 17.0002 90; 104.115; 90 | 2137.9 | Shimbayashi, Takuya; Matsushita, Gaku; Nanya, Atsushi; Eguchi, Akira; Okamoto, Kazuhiro; Ohe, Kouichi Divergent Catalytic Approach from Cyclic Oxime Esters to Nitrogen-Containing Heterocycles with Group 9 Metal Catalysts ACS Catalysis, 2018, 8, 7773 |
4515732 | CIF | C33 H41 Cl2 N Ru S | P 43 | 10.0186; 10.0186; 30.9734 90; 90; 90 | 3108.87 | Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand ACS Catalysis, 2018, 8, 8182 |
4515733 | CIF | C28 H36 Cl2 F3 N Ru S | P n a 21 | 16.3382; 16.5805; 10.4655 90; 90; 90 | 2835.1 | Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand ACS Catalysis, 2018, 8, 8182 |
4515734 | CIF | C26 H32 Cl2 F3 N Ru S | P -1 | 11.0669; 14.1689; 17.6536 103.228; 94.276; 100.447 | 2630.52 | Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand ACS Catalysis, 2018, 8, 8182 |
4515735 | CIF | C32 H39 Cl4 N Ru S | P c a 21 | 19.868; 9.2131; 17.5258 90; 90; 90 | 3208 | Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand ACS Catalysis, 2018, 8, 8182 |
4515736 | CIF | C43 H60 S Y2 | P 1 21/n 1 | 12.6411; 16.3119; 19.7095 90; 106.372; 90 | 3899.3 | Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes ACS Catalysis, 2018, 8, 8027 |
4515737 | CIF | C25 H33 S Y | P 1 21/c 1 | 16.796; 8.4624; 16.616 90; 102.549; 90 | 2305.3 | Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes ACS Catalysis, 2018, 8, 8027 |
4515738 | CIF | C50 H66 S2 Y2 | P -1 | 10.343; 10.6225; 10.683 94.507; 108.927; 92.924 | 1103.18 | Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes ACS Catalysis, 2018, 8, 8027 |
4515739 | CIF | C20 H20 S Si | P 1 21/n 1 | 9.7426; 9.7458; 18.818 90; 90.465; 90 | 1786.7 | Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes ACS Catalysis, 2018, 8, 8027 |
4515740 | CIF | C23 H23 N S Si | P 1 21/n 1 | 10.304; 17.9385; 11.4674 90; 107.757; 90 | 2018.6 | Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes ACS Catalysis, 2018, 8, 8027 |
4515741 | CIF | C21 H25 Cl3 Ir N O3 | P 21 21 21 | 9.6875; 13.7823; 17.6769 90; 90; 90 | 2360.1 | Zhou, Gang; Aboo, Ahmed H.; Robertson, Craig M.; Liu, Ruixia; Li, Zhenhua; Luzyanin, Konstantin; Berry, Neil G.; Chen, Weiping; Xiao, Jianliang N,O- vs N,C-Chelation in Half-Sandwich Iridium Complexes: A Dramatic Effect on Enantioselectivity in Asymmetric Transfer Hydrogenation of Ketones ACS Catalysis, 2018, 8, 8020 |
4515742 | CIF | C21 H25 Cl Ir N O3 | P 61 | 18.4094; 18.4094; 11.3169 90; 90; 120 | 3321.5 | Zhou, Gang; Aboo, Ahmed H.; Robertson, Craig M.; Liu, Ruixia; Li, Zhenhua; Luzyanin, Konstantin; Berry, Neil G.; Chen, Weiping; Xiao, Jianliang N,O- vs N,C-Chelation in Half-Sandwich Iridium Complexes: A Dramatic Effect on Enantioselectivity in Asymmetric Transfer Hydrogenation of Ketones ACS Catalysis, 2018, 8, 8020 |
4515743 | CIF | C20 H24 Cl N O4 | P 1 21 1 | 7.421; 16.048; 8.176 90; 101.174; 90 | 955.2 | Schmid, Steven C.; Guzei, Ilia A.; Fernández, Israel; Schomaker, Jennifer M. Ring Expansion of Bicyclic Methyleneaziridines via Concerted, Near-Barrierless [2,3]-Stevens Rearrangements of Aziridinium Ylides. ACS catalysis, 2018, 8, 7907-7914 |
4515744 | CIF | C29 H43 F6 N P Sb | P b c a | 16.4612; 13.7221; 26.85 90; 90; 90 | 6064.9 | Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis ACS Catalysis, 2018, 8, 10457 |
4515745 | CIF | C30 H21 F18 N P Sb | C 1 2/c 1 | 27.034; 8.1387; 29.826 90; 95.017; 90 | 6537.2 | Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis ACS Catalysis, 2018, 8, 10457 |
4515746 | CIF | C32 H24 Au Cl F18 N2 P Sb | P 1 21/n 1 | 8.7962; 27.1915; 16.076 90; 103.535; 90 | 3738.3 | Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis ACS Catalysis, 2018, 8, 10457 |
4515747 | CIF | C27 H27 Cl2 F6 N P Sb | P -1 | 8.4844; 13.1717; 13.5679 92.667; 105.963; 100.874 | 1423.8 | Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis ACS Catalysis, 2018, 8, 10457 |
4515748 | CIF | C26 H37 Au Cl F6 N P Sb | P -1 | 10.6409; 16.737; 17.0626 82.428; 84.084; 87.346 | 2994.6 | Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis ACS Catalysis, 2018, 8, 10457 |
4515749 | CIF | C26 H37 F6 N P Sb | P 1 21/n 1 | 13.8885; 13.3919; 15.6069 90; 112.626; 90 | 2679.4 | Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis ACS Catalysis, 2018, 8, 10457 |
4515750 | CIF | C26 H29 Cl F6 Ir N P Sb | P 1 21/c 1 | 11.9033; 8.2433; 28.535 90; 99.672; 90 | 2760.1 | Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis ACS Catalysis, 2018, 8, 10457 |
4515751 | CIF | C26 H25 Au Cl F6 N P Sb | P -1 | 10.004; 10.1489; 15.7193 107.808; 92.182; 112.364 | 1383.43 | Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis ACS Catalysis, 2018, 8, 10457 |
4515752 | CIF | C31.5 H24 Au Cl6 F18 N O2 P Sb | P -1 | 8.9106; 12.9646; 19.744 73.397; 82.399; 85.849 | 2165.1 | Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis ACS Catalysis, 2018, 8, 10457 |
4515753 | CIF | C46 H40 O5 | P -1 | 11.0227; 11.4514; 15.2564 69.58; 76.609; 74.008 | 1715.2 | Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis ACS Catalysis, 2018, 8, 10457 |
4515754 | CIF | C25 H23 F6 N O2 P Sb | P -1 | 8.3643; 11.8205; 13.1583 91.321; 104.359; 99.991 | 1238.2 | Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis ACS Catalysis, 2018, 8, 10457 |
4515755 | CIF | C25 H21 N O2 S | C 1 2 1 | 26.96; 8.264; 9.337 90; 107.363; 90 | 1985.5 | Liu, Xihong; Wang, Pengxin; Bai, Lutao; Li, Dan; Wang, Linqing; Yang, Dongxu; Wang, Rui Construction of Vicinal All-Carbon Quaternary Stereocenters Enabled by a Catalytic Asymmetric Dearomatization Reaction of β-Naphthols with 3-Bromooxindoles ACS Catalysis, 2018, 8, 10888 |
4515756 | CIF | C22 H22 N4 O | P 1 21 1 | 6.4088; 7.0686; 19.8625 90; 93.865; 90 | 897.75 | Marichev, Kostiantyn O.; Adly, Frady G.; Carranco, Alejandra M.; Garcia, Estevan C.; Arman, Hadi; Doyle, Michael P. Catalyst Choice for Highly Enantioselective [3 + 3]-Cycloaddition of Enoldiazocarbonyl Compounds ACS Catalysis, 2018, 8, 10392 |
4515757 | CIF | C50.31 H48.22 B Cl1.39 F4 Fe N2 Ni O1.31 S2 | C 1 2/c 1 | 25.286; 23.295; 20.693 90; 127.48; 90 | 9673 | Brazzolotto, Deborah; Wang, Lianke; Tang, Hao; Gennari, Marcello; Queyriaux, Nicolas; Philouze, Christian; Demeshko, Serhiy; Meyer, Franc; Orio, Maylis; Artero, Vincent; Hall, Michael B.; Duboc, Carole Tuning Reactivity of Bioinspired [NiFe]-Hydrogenase Models by Ligand Design and Modeling the CO Inhibition Process ACS Catalysis, 2018, 8, 10658 |
4515758 | CIF | C20 H18 N O2 P | P 21 21 21 | 9.1903; 10.9348; 17.0654 90; 90; 90 | 1714.97 | Wang, Huamin; Li, Yongli; Tang, Zilu; Wang, Shengchun; Zhang, Heng; Cong, Hengjiang; Lei, Aiwen Z-Selective Addition of Diaryl Phosphine Oxides to Alkynes via Photoredox Catalysis ACS Catalysis, 2018, 8, 10599 |
4515759 | CIF | C58 H94 F9 Ho N4 O22 S3 | P 1 21 1 | 12.992; 16.505; 17.872 90; 102.41; 90 | 3742.8 | Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines ACS Catalysis, 2018, 8, 10261 |
4515760 | CIF | C30 H31 N2 O6 S | P 1 21 1 | 13.9107; 13.9185; 15.4002 90; 109.507; 90 | 2810.6 | Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines ACS Catalysis, 2018, 8, 10261 |
4515761 | CIF | C42 H60 Br2 F9 N4 O16 S3 Tm | P 1 21 1 | 9.458; 25.399; 11.67 90; 93.281; 90 | 2798.8 | Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines ACS Catalysis, 2018, 8, 10261 |
4515762 | CIF | C36 H36 N2 O6 S | P 1 21 1 | 9.3322; 18.7754; 9.4931 90; 107.649; 90 | 1585.05 | Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines ACS Catalysis, 2018, 8, 10261 |
4515763 | CIF | C27 H28 Cl F N4 O8 | P 21 21 21 | 12.2999; 14.3668; 15.8349 90; 90; 90 | 2798.2 | Guo, Wengang; Li, Lu; Ding, Qian; Lin, Xiangfeng; Liu, Xianghui; Wang, Kai; Liu, Yan; Fan, Hongjun; Li, Can Synthesis of Chiral Trispirocyclic Oxindoles via Organic-Base/Au(I)-Catalyzed Sequential Reactions ACS Catalysis, 2018, 8, 10180 |
4515764 | CIF | C27 H28 Cl2 N4 O8 | P 21 21 21 | 12.4437; 15.4069; 15.5019 90; 90; 90 | 2972 | Guo, Wengang; Li, Lu; Ding, Qian; Lin, Xiangfeng; Liu, Xianghui; Wang, Kai; Liu, Yan; Fan, Hongjun; Li, Can Synthesis of Chiral Trispirocyclic Oxindoles via Organic-Base/Au(I)-Catalyzed Sequential Reactions ACS Catalysis, 2018, 8, 10180 |
4515765 | CIF | C30 H31 N5 O7 | C 2 2 21 | 10.4443; 14.5326; 38.8497 90; 90; 90 | 5896.7 | Guo, Wengang; Li, Lu; Ding, Qian; Lin, Xiangfeng; Liu, Xianghui; Wang, Kai; Liu, Yan; Fan, Hongjun; Li, Can Synthesis of Chiral Trispirocyclic Oxindoles via Organic-Base/Au(I)-Catalyzed Sequential Reactions ACS Catalysis, 2018, 8, 10180 |
4515766 | CIF | C32 H39 N O4 S | P 1 21/c 1 | 11.7118; 39.9043; 6.266 90; 97.254; 90 | 2905 | Jiang, Fei; Yuan, Fu-Ru; Jin, Li-Wen; Mei, Guang-Jian; Shi, Feng Metal-Catalyzed (4 + 3) Cyclization of Vinyl Aziridines withpara-Quinone Methide Derivatives ACS Catalysis, 2018, 8, 10234 |
4515767 | CIF | C22 H22 N2 O3 Pd | P -1 | 6.7169; 11.3747; 13.8249 67.899; 87.885; 79.889 | 962.96 | Maji, Arun; Reddi, Yernaidu; Sunoj, Raghavan B.; Maiti, Debabrata Mechanistic Insights on Orthogonal Selectivity in Heterocycle Synthesis ACS Catalysis, 2018, 8, 10111 |
4515768 | CIF | C38 H51 Bi O8 P Rh | P -1 | 10.4797; 13.5923; 13.9879 91.294; 92.227; 91.361 | 1989.86 | Ren, Zhi; Sunderland, Travis L.; Tortoreto, Cecilia; Yang, Tzuhsiung; Berry, John F.; Musaev, Djamaladdin G.; Davies, Huw M. L. Comparison of Reactivity and Enantioselectivity between Chiral Bimetallic Catalysts: Bismuth‒Rhodium- and Dirhodium-Catalyzed Carbene Chemistry ACS Catalysis, 2018, 8, 10676 |
4515769 | CIF | C67.84 H95.68 Bi N4 O17.96 Rh S4 | I 4 | 22.2169; 22.2169; 10.9063 90; 90; 90 | 5383.2 | Ren, Zhi; Sunderland, Travis L.; Tortoreto, Cecilia; Yang, Tzuhsiung; Berry, John F.; Musaev, Djamaladdin G.; Davies, Huw M. L. Comparison of Reactivity and Enantioselectivity between Chiral Bimetallic Catalysts: Bismuth‒Rhodium- and Dirhodium-Catalyzed Carbene Chemistry ACS Catalysis, 2018, 8, 10676 |
4515770 | CIF | C14 H28 Cl Ir P2 | P 1 21/m 1 | 7.1256; 13.4641; 8.7896 90; 102.373; 90 | 823.69 | Ahn, Seihwan; Sorsche, Dieter; Berritt, Simon; Gau, Michael R.; Mindiola, Daniel J.; Baik, Mu-Hyun Rational Design of a Catalyst for the Selective Monoborylation of Methane ACS Catalysis, 2018, 8, 10021 |
4515771 | CIF | C18 H26 N2 O3 | P 1 21/n 1 | 9.2992; 15.198; 12.6751 90; 99.38; 90 | 1767.4 | Zhang, Bo-Sheng; Li, Yuke; An, Yang; Zhang, Zhe; Liu, Ce; Wang, Xin-Gang; Liang, Yong-Min Carboxylate Ligand-Exchanged Amination/C(sp3)‒H Arylation Reaction via Pd/Norbornene Cooperative Catalysis ACS Catalysis, 2018, 8, 11827 |
4515772 | CIF | C16 H22 N2 O3 | P n a 21 | 10.5957; 18.8441; 7.6415 90; 90; 90 | 1525.8 | Zhang, Bo-Sheng; Li, Yuke; An, Yang; Zhang, Zhe; Liu, Ce; Wang, Xin-Gang; Liang, Yong-Min Carboxylate Ligand-Exchanged Amination/C(sp3)‒H Arylation Reaction via Pd/Norbornene Cooperative Catalysis ACS Catalysis, 2018, 8, 11827 |
4515773 | CIF | C30 H28 O4 | P -1 | 9.097; 12.191; 13.111 114.466; 95.343; 108.732 | 1209.5 | Zuo, Zhijun; Wang, Hui; Diao, Yunxia; Ge, Yicong; Liu, Jingjing; Luan, Xinjun Palladium-Catalyzed Aryne Insertion/Arene Dearomatization Domino Reaction: A Highly Chemoselective Route to Spirofluorenes ACS Catalysis, 2018, 8, 11029 |
4515774 | CIF | C26 H20 O2 | P 1 21/n 1 | 12.157; 12.525; 12.945 90; 91.141; 90 | 1970.7 | Zuo, Zhijun; Wang, Hui; Diao, Yunxia; Ge, Yicong; Liu, Jingjing; Luan, Xinjun Palladium-Catalyzed Aryne Insertion/Arene Dearomatization Domino Reaction: A Highly Chemoselective Route to Spirofluorenes ACS Catalysis, 2018, 8, 11029 |
4515775 | CIF | C8 H7 N O2 | P 1 21/c 1 | 11.6456; 5.1414; 13.0095 90; 110.064; 90 | 731.67 | Hota, Pradip Kumar; Sau, Samaresh Chandra; Mandal, Swadhin K. Metal-Free Catalytic Formylation of Amides Using CO2 under Ambient Conditions ACS Catalysis, 2018, 8, 11999 |
4515776 | CIF | C24 H22 Br I N2 O4 S | P 21 21 21 | 7.4546; 13.367; 24.063 90; 90; 90 | 2397.8 | Struble, Thomas J.; Lankswert, Hannah M.; Pink, Maren; Johnston, Jeffrey N. Enantioselective Organocatalytic Amine-Isocyanate Capture-Cyclization: Regioselective Alkene Iodoamination for the Synthesis of Chiral Cyclic Ureas. ACS catalysis, 2018, 8, 11926-11931 |
4515777 | CIF | C26 H25 I N2 O4 S | P 1 21 1 | 6.8374; 14.8665; 12.6176 90; 105.716; 90 | 1234.61 | Struble, Thomas J.; Lankswert, Hannah M.; Pink, Maren; Johnston, Jeffrey N. Enantioselective Organocatalytic Amine-Isocyanate Capture-Cyclization: Regioselective Alkene Iodoamination for the Synthesis of Chiral Cyclic Ureas. ACS catalysis, 2018, 8, 11926-11931 |
4515778 | CIF | C26 H18 O3 | C 1 2/c 1 | 24.897; 5.8589; 26.361 90; 100.161; 90 | 3784.9 | Lad, Bapurao Sudam; Katukojvala, Sreenivas Piano-Stool Rhodium Enalcarbenoids: Application to Catalyst-Controlled Metal-Templated Annulations of Diazoenals and 1,3-Dicarbonyls ACS Catalysis, 2018, 8, 11807 |
4515779 | CIF | C12 H14 O5 | P -1 | 5.8118; 7.6603; 13.506 82.491; 89.314; 82.461 | 590.97 | Lad, Bapurao Sudam; Katukojvala, Sreenivas Piano-Stool Rhodium Enalcarbenoids: Application to Catalyst-Controlled Metal-Templated Annulations of Diazoenals and 1,3-Dicarbonyls ACS Catalysis, 2018, 8, 11807 |
4515780 | CIF | C4 H10 Cl8 N2 W2 | P -1 | 7.7134; 7.817; 7.9908 97.754; 108.946; 112.35 | 402.67 | Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes ACS Catalysis, 2018, 8, 11235 |
4515781 | CIF | C26 H20 Cl8 F6 N2 W2 | P -1 | 7.1984; 9.6255; 12.8058 68.524; 86.291; 81.137 | 815.79 | Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes ACS Catalysis, 2018, 8, 11235 |
4515782 | CIF | C24 H34 Cl8 N2 W2 | P -1 | 9.6082; 9.7882; 10.2905 106.301; 106.481; 110.355 | 788.82 | Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes ACS Catalysis, 2018, 8, 11235 |
4515783 | CIF | C30 H34 Cl8 D6 N2 W2 | P 1 21/n 1 | 9.7378; 11.39; 16.7268 90; 93.494; 90 | 1851.78 | Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes ACS Catalysis, 2018, 8, 11235 |
4515784 | CIF | C10 H10 Cl4 F3 N O W | P 1 21/c 1 | 11.3589; 11.3408; 11.9422 90; 100.845; 90 | 1510.91 | Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes ACS Catalysis, 2018, 8, 11235 |
4515785 | CIF | C16 H25 Cl4 N O W | P -1 | 8.5798; 14.0708; 17.3875 95.674; 98.423; 97.281 | 2044.9 | Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes ACS Catalysis, 2018, 8, 11235 |
4515786 | CIF | C32 H54 Cl7 N3 W2 | P c c n | 9.5696; 10.714; 40.8756 90; 90; 90 | 4190.9 | Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes ACS Catalysis, 2018, 8, 11235 |
4515787 | CIF | C21 H45 Cl N P3 W | P n m a | 15.7347; 13.6973; 12.7686 90; 90; 90 | 2751.93 | Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes ACS Catalysis, 2018, 8, 11235 |
4515788 | CIF | C9 H14 Cl N W | P 1 21/m 1 | 6.3483; 7.2804; 11.9671 90; 93.604; 90 | 552 | Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes ACS Catalysis, 2018, 8, 11235 |
4515789 | CIF | C15 H26 Al Cl4 N W | P 1 21/c 1 | 10.0824; 16.3429; 13.3029 90; 96.616; 90 | 2177.4 | Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes ACS Catalysis, 2018, 8, 11235 |
4515790 | CIF | C56 H120 Co2 N7 O34 V W9 | P 1 21/n 1 | 14.4162; 32.8597; 20.2434 90; 109.886; 90 | 9017.7 | Sullivan, Kevin P.; Wieliczko, Marika; Kim, Mooeung; Yin, Qiushi; Collins-Wildman, Daniel L.; Mehta, Anil K.; Bacsa, John; Lu, Xinlin; Geletii, Yurii V.; Hill, Craig L. Speciation and Dynamics in the [Co4V2W18O68]10‒/Co(II)aq/CoOx Catalytic Water Oxidation System ACS Catalysis, 2018, 8, 11952 |
4515791 | CIF | C24 H24 N2 O2 S | P 1 21/c 1 | 9.9646; 31.521; 6.9339 90; 101.603; 90 | 2133.4 | Wang, Huifei; Qiu, Shuxian; Wang, Sasa; Zhai, Hongbin Pd-Catalyzed Umpolung of π‒Allylpalladium Intermediates: Assembly of All-Carbon α-Vinyl Quaternary Aldehydes through C(sp3)‒C(sp3) Coupling ACS Catalysis, 2018, 8, 11960 |
4515792 | CIF | C60 H42 Br2 Cu F12 N6 O8 Sb2 | C 1 2/c 1 | 11.7665; 26.084; 21.832 90; 92.097; 90 | 6696.1 | Ng, Yik Yie; Tan, Lisa Jiaying; Ng, Shue Mei; Chai, Yoke Tin; Ganguly, Rakesh; Du, Yonghua; Yeow, Edwin Kok Lee; Soo, Han Sen Spectroscopic Characterization and Mechanistic Studies on Visible Light Photoredox Carbon‒Carbon Bond Formation by Bis(arylimino)acenaphthene Copper Photosensitizers ACS Catalysis, 2018, 8, 11277 |
4515793 | CIF | C76 H92 Br2 Cu F6 N12 O15 P | C 1 2/c 1 | 26.796; 14.7426; 22.903 90; 114.796; 90 | 8213.5 | Ng, Yik Yie; Tan, Lisa Jiaying; Ng, Shue Mei; Chai, Yoke Tin; Ganguly, Rakesh; Du, Yonghua; Yeow, Edwin Kok Lee; Soo, Han Sen Spectroscopic Characterization and Mechanistic Studies on Visible Light Photoredox Carbon‒Carbon Bond Formation by Bis(arylimino)acenaphthene Copper Photosensitizers ACS Catalysis, 2018, 8, 11277 |
4515794 | CIF | C24 H18 Br N2 O | P 1 | 5.6607; 8.2437; 10.596 96.24; 99.41; 96.49 | 480.59 | Tong, Hua-Rong; Zheng, Sujuan; Li, Xinghua; Deng, Zhiqiang; Wang, Hao; He, Gang; Peng, Qian; Chen, Gong Pd(0)-Catalyzed Bidentate Auxiliary Directed Enantioselective Benzylic C‒H Arylation of 3-Arylpropanamides Using the BINOL Phosphoramidite Ligand ACS Catalysis, 2018, 8, 11502 |
4515795 | CIF | C40 H32 N12 Ni2 | P 41 21 2 | 11.3157; 11.3157; 31.5787 90; 90; 90 | 4043.5 | Ghorai, Debasish; Finger, Lars H.; Zanoni, Giuseppe; Ackermann, Lutz Bimetallic Nickel Complexes for Aniline C–H Alkylations ACS Catalysis, 2018, 8, 11657 |
4515796 | CIF | C14 H14 F N3 | P 1 21/c 1 | 13.3888; 8.0065; 22.9811 90; 95.656; 90 | 2451.5 | Ghorai, Debasish; Finger, Lars H.; Zanoni, Giuseppe; Ackermann, Lutz Bimetallic Nickel Complexes for Aniline C‒H Alkylations ACS Catalysis, 2018, 8, 11657 |
4515797 | CIF | C40 H28 F4 N12 Ni2 | P c c n | 9.5253; 16.5175; 22.4483 90; 90; 90 | 3531.9 | Ghorai, Debasish; Finger, Lars H.; Zanoni, Giuseppe; Ackermann, Lutz Bimetallic Nickel Complexes for Aniline C‒H Alkylations ACS Catalysis, 2018, 8, 11657 |
4515798 | CIF | C90 H64 Cu2 F6 P4 S2 | P -1 | 11.1442; 12.9041; 13.9829 101.643; 97.123; 109.481 | 1816.4 | He, Jian; Chen, Caiyou; Fu, Gregory C.; Peters, Jonas C. Visible-Light-Induced, Copper-Catalyzed Three-Component Coupling of Alkyl Halides, Olefins, and Trifluoromethylthiolate to Generate Trifluoromethyl Thioethers. ACS catalysis, 2018, 8, 11741-11748 |
4515799 | CIF | C24 H18 Fe S2 | P 1 21 1 | 10.1167; 9.2912; 10.2864 90; 105.881; 90 | 930 | Xu, Bing-Bin; Ye, Jie; Yuan, Yu; Duan, Wei-Liang Palladium-Catalyzed Asymmetric C‒H Arylation for the Synthesis of Planar Chiral Benzothiophene-Fused Ferrocenes ACS Catalysis, 2018, 8, 11735 |
4515800 | CIF | C45 H51 Cl N4 Ni O P | P 1 21/c 1 | 17.8919; 12.6768; 19.8115 90; 114.361; 90 | 4093.4 | Wang, Ting-Hsuan; Ambre, Ram; Wang, Qing; Lee, Wei-Chih; Wang, Pen-Cheng; Liu, Yuhua; Zhao, Lili; Ong, Tiow-Gan Nickel-Catalyzed Heteroarenes Cross Coupling via Tandem C‒H/C‒O Activation ACS Catalysis, 2018, 8, 11368 |
4515801 | CIF | C34 H44 Cl2 N4 W | P 21 21 21 | 9.8622; 17.5716; 19.3465 90; 90; 90 | 3352.6 | Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene ACS Catalysis, 2018, 8, 11249 |
4515802 | CIF | C27 H43 Cl2 N2 P W | P 21 21 21 | 10.5486; 16.4202; 17.086 90; 90; 90 | 2959.5 | Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene ACS Catalysis, 2018, 8, 11249 |
4515803 | CIF | C16 H14 Cl2 F6 N2 O2 W | P 21 21 21 | 12.0005; 12.4893; 13.5857 90; 90; 90 | 2036.2 | Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene ACS Catalysis, 2018, 8, 11249 |
4515804 | CIF | C52.4 H45 Cl2 N2 O2.2 W | R -3 :H | 32.8492; 32.8492; 20.7376 90; 90; 120 | 19379.3 | Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene ACS Catalysis, 2018, 8, 11249 |
4515805 | CIF | C22 H14 Cl2 F18 N2 O2 W | P 1 21/c 1 | 12.5254; 27.3985; 9.0867 90; 105.516; 90 | 3004.7 | Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene ACS Catalysis, 2018, 8, 11249 |
4515806 | CIF | C16 H10 Cl2 F10 N2 O2 W | P -1 | 7.3379; 7.8387; 17.8616 87.953; 81.828; 87.079 | 1015.22 | Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene ACS Catalysis, 2018, 8, 11249 |
4515807 | CIF | C19 H34 Cl2 N2 O2 W | P 1 21/n 1 | 13.4052; 9.8029; 18.7197 90; 109.016; 90 | 2325.7 | Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene ACS Catalysis, 2018, 8, 11249 |
4515808 | CIF | C20 H36 Cl2 N2 O2 W | P -1 | 9.8343; 9.9604; 13.7645 70.528; 85.509; 71.846 | 1207.4 | Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene ACS Catalysis, 2018, 8, 11249 |
4515809 | CIF | C27.5 H43.75 Cl2.5 N2 O2 W | P -1 | 9.0974; 12.8175; 14.1008 112.357; 90.965; 99.035 | 1496.5 | Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene ACS Catalysis, 2018, 8, 11249 |
4515810 | CIF | C28 H35 Cl5 N2 O2 W | P 1 21/c 1 | 12.1544; 10.4027; 24.447 90; 91.001; 90 | 3090.6 | Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene ACS Catalysis, 2018, 8, 11249 |
4515811 | CIF | C22 H29 Cl2 F3 N2 O2 W | P -1 | 8.8303; 11.5526; 12.8453 77.061; 85.454; 74.916 | 1232.81 | Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene ACS Catalysis, 2018, 8, 11249 |
4515812 | CIF | C23 H32 Cl4 N4 O6 W | P c a 21 | 16.4344; 10.2454; 17.7291 90; 90; 90 | 2985.17 | Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene ACS Catalysis, 2018, 8, 11249 |
4515813 | CIF | C40 H44 Cl2 N2 O2 W | P 1 21/n 1 | 16.2309; 10.3469; 22.3012 90; 103.618; 90 | 3640 | Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W. Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene ACS Catalysis, 2018, 8, 11249 |
4515814 | CIF | C25 H23 N O4 | P -1 | 8.535; 10.595; 11.444 79.5; 87.548; 81.464 | 1006.1 | Li, Guo-Xing; Hu, Xiafei; He, Gang; Chen, Gong Photoredox-Mediated Minisci-type Alkylation of N-Heteroarenes with Alkanes with High Methylene Selectivity ACS Catalysis, 2018, 8, 11847 |
4515815 | CIF | C25 H23 N O4 | P -1 | 9.737; 10.551; 11.09 68.032; 80.699; 75.858 | 1021.5 | Li, Guo-Xing; Hu, Xiafei; He, Gang; Chen, Gong Photoredox-Mediated Minisci-type Alkylation of N-Heteroarenes with Alkanes with High Methylene Selectivity ACS Catalysis, 2018, 8, 11847 |
4515816 | CIF | C27 H33 N O4 | P 1 21 1 | 8.9557; 9.9317; 13.533 90; 104.289; 90 | 1166.5 | Li, Guo-Xing; Hu, Xiafei; He, Gang; Chen, Gong Photoredox-Mediated Minisci-type Alkylation of N-Heteroarenes with Alkanes with High Methylene Selectivity ACS Catalysis, 2018, 8, 11847 |
4515817 | CIF | C28 H44 O3 Os P2 | P 1 21/c 1 | 15.878; 10.9673; 16.462 90; 90.174; 90 | 2866.7 | Esteruelas, Miguel A.; García-Yebra, Cristina; Martín, Jaime; Oñate, Enrique Dehydrogenation of Formic Acid Promoted by a Trihydride-Hydroxo-Osmium(IV) Complex: Kinetics and Mechanism ACS Catalysis, 2018, 8, 11314 |
4515818 | CIF | C23 H21.5 F6 N3.5 P Pd | P 21 21 21 | 11.993; 17.981; 22.586 90; 90; 90 | 4871 | Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation ACS Catalysis, 2018, 8, 1964 |
4515819 | CIF | C47 H44 F3 Fe N2 O6 P Pd S | P 21 21 21 | 11.4924; 18.4018; 20.7858 90; 90; 90 | 4395.8 | Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation ACS Catalysis, 2018, 8, 1964 |
4515820 | CIF | C48 H45 Cl3 F3 Fe N2 O6 P Pd S | P 21 21 21 | 11.5846; 16.3753; 25.133 90; 90; 90 | 4767.8 | Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation ACS Catalysis, 2018, 8, 1964 |
4515821 | CIF | C53 H61 Fe Ni O P2 | P 1 21/c 1 | 14.2235; 16.3932; 19.5487 90; 98.023; 90 | 4513.5 | Beromi, Megan Mohadjer; Banerjee, Gourab; Brudvig, Gary W.; Hazari, Nilay; Mercado, Brandon Q. Nickel(I) Aryl Species: Synthesis, Properties, and Catalytic Activity. ACS catalysis, 2018, 8, 2526-2533 |
4515822 | CIF | C43 H39 Fe Ni P2 | C 1 2/c 1 | 23.2567; 16.9768; 21.0881 90; 106.649; 90 | 7977 | Beromi, Megan Mohadjer; Banerjee, Gourab; Brudvig, Gary W.; Hazari, Nilay; Mercado, Brandon Q. Nickel(I) Aryl Species: Synthesis, Properties, and Catalytic Activity. ACS catalysis, 2018, 8, 2526-2533 |
4515823 | CIF | C56 H53 Fe Ni P2 | I 1 2/a 1 | 14.0344; 13.358; 23.5713 90; 95.985; 90 | 4394.9 | Beromi, Megan Mohadjer; Banerjee, Gourab; Brudvig, Gary W.; Hazari, Nilay; Mercado, Brandon Q. Nickel(I) Aryl Species: Synthesis, Properties, and Catalytic Activity. ACS catalysis, 2018, 8, 2526-2533 |
4515824 | CIF | C63 H67 Br Fe Ni P2 | P -1 | 10.4283; 13.6108; 19.5796 77.34; 81.336; 88.445 | 2680.5 | Beromi, Megan Mohadjer; Banerjee, Gourab; Brudvig, Gary W.; Hazari, Nilay; Mercado, Brandon Q. Nickel(I) Aryl Species: Synthesis, Properties, and Catalytic Activity. ACS catalysis, 2018, 8, 2526-2533 |
4515825 | CIF | C31 H24 N6 O4 Ru | P n a 21 | 17.4154; 17.0027; 9.3236 90; 90; 90 | 2760.8 | Matheu, Roc; Ertem, Mehmed Z.; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Benet-Buchholz, Jordi; Sala, Xavier; Tessier, Arnaud; Llobet, Antoni The Role of Seven-Coordination in Ru-Catalyzed Water Oxidation ACS Catalysis, 2018, 8, 2039 |
4515826 | CIF | C28.5 H28 N5 O6.5 Ru | P 1 21/c 1 | 11.7638; 16.7628; 15.8332 90; 107.656; 90 | 2975.1 | Matheu, Roc; Ertem, Mehmed Z.; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Benet-Buchholz, Jordi; Sala, Xavier; Tessier, Arnaud; Llobet, Antoni The Role of Seven-Coordination in Ru-Catalyzed Water Oxidation ACS Catalysis, 2018, 8, 2039 |
4515827 | CIF | C55 H48 Ce N15 O26 Ru2 | P c a 21 | 17.9909; 22.189; 15.3463 90; 90; 90 | 6126.24 | Matheu, Roc; Ertem, Mehmed Z.; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Benet-Buchholz, Jordi; Sala, Xavier; Tessier, Arnaud; Llobet, Antoni The Role of Seven-Coordination in Ru-Catalyzed Water Oxidation ACS Catalysis, 2018, 8, 2039 |
4515828 | CIF | C2.778 H2.333 Cu0.111 N0.444 O0.778 S0.222 | C 1 2/c 1 | 22.2892; 22.2235; 15.7911 90; 101.936; 90 | 7652.9 | Zhang, Guiyang; Yang, Huimin; Fei, Honghan Unusual Missing Linkers in an Organosulfonate-Based Primitive‒Cubic (pcu)-Type Metal‒Organic Framework for CO2 Capture and Conversion under Ambient Conditions ACS Catalysis, 2018, 8, 2519 |
4516212 | CIF | C22 H30 B Mo N9 O | P 1 21/n 1 | 10.6622; 18.8079; 12.1539 90; 94.352; 90 | 2430.24 | Dakermanji, Steven J.; Smith, Jacob A.; Westendorff, Karl S.; Pert, Emmit K.; Chung, Andrew D.; Myers, Jeffery T.; Welch, Kevin D.; Dickie, Diane A.; Harman, W. Dean Electron-Transfer Chain Catalysis of η2-Arene, η2-Alkene, and η2-Ketone Exchange on Molybdenum ACS Catalysis, 2019, 11274 |
4516214 | CIF | C30 H38 Fe2 N2 O4 Pd2 | P -1 | 7.4139; 12.1658; 17.3075 89.281; 88.144; 71.583 | 1480.3 | Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C. Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization ACS Catalysis, 2019, 11386 |
4516215 | CIF | C37 H47 Fe2 N4 O6 Pd2 | P n n a | 15.4063; 23.1323; 21.3599 90; 90; 90 | 7612.3 | Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C. Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization ACS Catalysis, 2019, 11386 |
4516216 | CIF | C18 H24 Fe N2 O | P 21 21 21 | 9.6729; 10.7575; 16.1377 90; 90; 90 | 1679.2 | Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C. Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization ACS Catalysis, 2019, 11386 |
4516217 | CIF | C46 H60 N4 O6 Pd2 | P 21 21 2 | 20.0614; 9.2769; 13.7686 90; 90; 90 | 2562.4 | Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C. Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization ACS Catalysis, 2019, 11386 |
4516218 | CIF | C46 H60 N4 O6 Pd2 | P 21 21 21 | 9.4493; 19.4338; 25.5923 90; 90; 90 | 4699.7 | Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C. Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization ACS Catalysis, 2019, 11386 |
4516219 | CIF | C34 H38 N2 O4 Pd2 | P 1 21/n 1 | 9.6636; 18.8875; 16.9545 90; 94.675; 90 | 3084.3 | Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C. Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization ACS Catalysis, 2019, 11386 |
4516220 | CIF | C20 H26 N2 O2 Pd | P 21 21 2 | 12.4112; 25.3634; 5.907 90; 90; 90 | 1859.47 | Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C. Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization ACS Catalysis, 2019, 11386 |
4516221 | CIF | C32 H32 N2 O4 Pd | P b c a | 19.9077; 12.8327; 22.0152 90; 90; 90 | 5624.2 | Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C. Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization ACS Catalysis, 2019, 11386 |
4516222 | CIF | C25 H33 Fe N2 O5 Pd | P -1 | 9.319; 10.4167; 13.8973 98.151; 97.964; 108.691 | 1240.4 | Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C. Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization ACS Catalysis, 2019, 11386 |
4516223 | CIF | C22 H30 N2 O5 Pd | P 43 21 2 | 6.0598; 6.0598; 60.491 90; 90; 90 | 2221.3 | Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C. Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization ACS Catalysis, 2019, 11386 |
4516226 | CIF | C16 H12 N2 O | P b c a | 14.3719; 6.4267; 25.3093 90; 90; 90 | 2337.67 | Ghosh, Koushik; Nishii, Yuji; Miura, Masahiro Rhodium-Catalyzed Annulative Coupling Using Vinylene Carbonate as an Oxidizing Acetylene Surrogate ACS Catalysis, 2019, 11455 |
4516227 | CIF | C20 H13 Cl3 N2 | P 1 21/c 1 | 13.0701; 12.556; 10.8819 90; 104.883; 90 | 1725.9 | Ghosh, Koushik; Nishii, Yuji; Miura, Masahiro Rhodium-Catalyzed Annulative Coupling Using Vinylene Carbonate as an Oxidizing Acetylene Surrogate ACS Catalysis, 2019, 11455 |
4516228 | CIF | C18 H20 N2 O5 S2 | P 21 21 21 | 8.8085; 10.3259; 22.243 90; 90; 90 | 2023.1 | Zou, Jiaoxia; Chen, Jinhong; Shi, Tao; Hou, Yongsheng; Cao, Fei; Wang, Yongqiang; Wang, Xiaodong; Jia, Zhong; Zhao, Quanyi; Wang, Zhen Phthalimide-Carried Disulfur Transfer To Synthesize Unsymmetrical Disulfanes via Copper Catalysis ACS Catalysis, 2019, 11426 |
4516231 | CIF | C12 H14 O2 | P 21 21 21 | 6.1055; 7.4185; 22.4266 90; 90; 90 | 1015.78 | Griswold, Jessica A.; Johnson, Jeffrey S. Stereoconvergent Conjugate Addition of Arylboronic Acids to α-Angelica Lactone Derivatives: Synthesis of Stereochemically Complex γ-Butyrolactones ACS Catalysis, 2019, 11614 |
4516232 | CIF | C15 H14 O2 | P 21 21 21 | 6.1306; 7.3825; 25.8514 90; 90; 90 | 1170.01 | Griswold, Jessica A.; Johnson, Jeffrey S. Stereoconvergent Conjugate Addition of Arylboronic Acids to α-Angelica Lactone Derivatives: Synthesis of Stereochemically Complex γ-Butyrolactones ACS Catalysis, 2019, 11614 |
4516233 | CIF | C11 H11 Br O2 | P 21 21 21 | 6.1359; 7.2261; 23.2488 90; 90; 90 | 1030.82 | Griswold, Jessica A.; Johnson, Jeffrey S. Stereoconvergent Conjugate Addition of Arylboronic Acids to α-Angelica Lactone Derivatives: Synthesis of Stereochemically Complex γ-Butyrolactones ACS Catalysis, 2019, 11614 |
4516234 | CIF | C22 H24 O6 | P 1 21 1 | 6.7404; 10.373; 13.488 90; 90.437; 90 | 943 | Uyanik, Muhammet; Kato, Takehiro; Sahara, Naoto; Katade, Outa; Ishihara, Kazuaki High-Performance Ammonium Hypoiodite/Oxone Catalysis for Enantioselective Oxidative Dearomatization of Arenols ACS Catalysis, 2019, 11619 |
4516235 | CIF | C38 H42 O7 | P 21 21 21 | 9.8131; 16.46; 19.469 90; 90; 90 | 3144.7 | Uyanik, Muhammet; Kato, Takehiro; Sahara, Naoto; Katade, Outa; Ishihara, Kazuaki High-Performance Ammonium Hypoiodite/Oxone Catalysis for Enantioselective Oxidative Dearomatization of Arenols ACS Catalysis, 2019, 11619 |
4516239 | CIF | C33.5 H31.5 Cl4.5 N2 O5 S2 | C 1 2/c 1 | 34.081; 10.527; 22.0782 90; 114.326; 90 | 7217.8 | Jin, Hongming; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K. The Carbocation-Catalyzed Intermolecular Formal [2 + 2 + 1] Cycloaddition of Ynamides with Quinoxaline N-Oxides ACS Catalysis, 2019, 11663 |
4516240 | CIF | C36 H36 N2 O5 S2 | P 21 21 21 | 10.1824; 12.255; 25.931 90; 90; 90 | 3235.8 | Jin, Hongming; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K. The Carbocation-Catalyzed Intermolecular Formal [2 + 2 + 1] Cycloaddition of Ynamides with Quinoxaline N-Oxides ACS Catalysis, 2019, 11663 |
4516241 | CIF | C32 H47 O2 P | P 1 21/n 1 | 12.342; 19.352; 13.4 90; 99.229; 90 | 3159.1 | Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands ACS Catalysis, 2019, 11691 |
4516242 | CIF | C30 H45 P | P b c a | 30.671; 10.2786; 33.812 90; 90; 90 | 10659 | Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands ACS Catalysis, 2019, 11691 |
4516243 | CIF | C31 H47 O0.33 P | R -3 :H | 19.35; 19.35; 38.469 90; 90; 120 | 12474 | Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands ACS Catalysis, 2019, 11691 |
4516244 | CIF | C32 H49 P | P 1 21/n 1 | 8.6727; 14.184; 23.006 90; 92.223; 90 | 2827.9 | Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands ACS Catalysis, 2019, 11691 |
4516245 | CIF | C34 H51 O4 P | P 1 21/n 1 | 9.9251; 11.2824; 28.061 90; 96.421; 90 | 3122.5 | Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands ACS Catalysis, 2019, 11691 |
4516246 | CIF | C36 H53 O3 P | P -1 | 8.568; 9.1013; 23.827 80.649; 86.357; 63.923 | 1646.6 | Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands ACS Catalysis, 2019, 11691 |
4516247 | CIF | C39 H57 O3 P | P n a 21 | 28.119; 13.086; 9.328 90; 90; 90 | 3432.4 | Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands ACS Catalysis, 2019, 11691 |
4516248 | CIF | C40.5 H60 Cl O4 P | P -1 | 11.6617; 12.3698; 14.951 100.424; 92.731; 115.736 | 1891.2 | Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands ACS Catalysis, 2019, 11691 |
4516249 | CIF | C31 H49 O2 P | P b c a | 18.317; 13.782; 22.811 90; 90; 90 | 5758.5 | Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands ACS Catalysis, 2019, 11691 |
4516250 | CIF | C43 H61.12 O2.06 P | P -1 | 12.838; 16.357; 19.029 97.751; 102.559; 102.096 | 3744.9 | Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands ACS Catalysis, 2019, 11691 |
4516251 | CIF | C42.5 H58 Br Cl3 N O4 P Pd | P -1 | 11.542; 11.548; 17.998 81.507; 77.635; 72.621 | 2227.2 | Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands ACS Catalysis, 2019, 11691 |
4516252 | CIF | C53.5 H69 Br N O3 P Pd | P b c a | 17.7459; 19.0935; 53.801 90; 90; 90 | 18229.5 | Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands ACS Catalysis, 2019, 11691 |
4516253 | CIF | C49.5 H69 Br Cl2 N O3 P Pd | C 1 2/c 1 | 27.66; 21.676; 19.545 90; 123.911; 90 | 9725 | Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands ACS Catalysis, 2019, 11691 |
4516254 | CIF | C47 H63 Br N O4 P Pd | P 1 21/c 1 | 13.126; 11.472; 28.93 90; 91.981; 90 | 4354 | Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands ACS Catalysis, 2019, 11691 |
4516255 | CIF | C53 H77 F3 N O7 P Pd S | P 1 21 1 | 12.4741; 16.7555; 14.1454 90; 115.68; 90 | 2664.51 | Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands ACS Catalysis, 2019, 11691 |
4516256 | CIF | C48 H71 F3 N O6 P Pd S | C 1 2/c 1 | 28.3488; 18.5998; 19.6316 90; 112.701; 90 | 9549.5 | Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands ACS Catalysis, 2019, 11691 |
4516257 | CIF | C51 H75 F3 N O6 P Pd S | P 1 21/n 1 | 15.0843; 17.9837; 19.7605 90; 108.121; 90 | 5094.6 | Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands ACS Catalysis, 2019, 11691 |
4516258 | CIF | C25 H24 O | P -1 | 6.1623; 7.8828; 20.9413 85.746; 88.386; 77.055 | 988.59 | Wang, Quannan; Chen, Rongjun; Lou, Jiang; Zhang, Dong H.; Zhou, Yong-Gui; Yu, Zhengkun Highly Regioselective C‒H Alkylation of Alkenes Through an Aryl to Vinyl 1,4-Palladium Migration/C‒C Cleavage Cascade ACS Catalysis, 2019, 11669 |
4516585 | CIF | C28.5 H39 Br4 Cl N6 Ti2 | C 1 2/c 1 | 24.481; 9.2829; 32.174 90; 103.789; 90 | 7101 | Beaumier, Evan P.; McGreal, Meghan E.; Pancoast, Adam R.; Wilson, R. Hunter; Moore, James T.; Graziano, Brendan J.; Goodpaster, Jason D.; Tonks, Ian A. Carbodiimide Synthesis via Ti-Catalyzed Nitrene Transfer from Diazenes to Isocyanides ACS Catalysis, 2019, 11753 |
4516658 | CIF | C17 H16 O | P -1 | 10.073; 10.958; 25.373 100.784; 100.991; 90.485 | 2697.9 | Qin, Guiping; Chen, Xiangning; Yang, Lei; Huang, Hanmin Copper-Catalyzed α-Benzylation of Enones via Radical-Triggered Oxidative Coupling of Two C‒H Bonds ACS Catalysis, 2015, 5, 2882 |
4516659 | CIF | C15 H19 F3 N4 O7 | P 1 21/c 1 | 10.6111; 9.3941; 19.1315 90; 91.384; 90 | 1906.5 | Huang, Lin; Lin, Jin-Shun; Tan, Bin; Liu, Xin-Yuan Alkene Trifluoromethylation-Initiated Remote α-Azidation of Carbonyl Compounds toward Trifluoromethyl γ-Lactam and Spirobenzofuranone-Lactam ACS Catalysis, 2015, 5, 2826 |
4516660 | CIF | C17 H15 Cl F3 N O5 | P n a 21 | 15.896; 8.7193; 25.283 90; 90; 90 | 3504.3 | Huang, Lin; Lin, Jin-Shun; Tan, Bin; Liu, Xin-Yuan Alkene Trifluoromethylation-Initiated Remote α-Azidation of Carbonyl Compounds toward Trifluoromethyl γ-Lactam and Spirobenzofuranone-Lactam ACS Catalysis, 2015, 5, 2826 |
4516661 | CIF | C55 H40 Cl3 O3 P3 Si3 | P -3 c 1 | 15.5297; 15.5297; 24.1564 90; 90; 120 | 5045.3 | Iwai, Tomohiro; Konishi, Shota; Miyazaki, Tatsuya; Kawamorita, Soichiro; Yokokawa, Natsumi; Ohmiya, Hirohisa; Sawamura, Masaya Silica-Supported Triptycene-Type Phosphine. Synthesis, Characterization, and Application to Pd-Catalyzed Suzuki‒Miyaura Cross-Coupling of Chloroarenes ACS Catalysis, 2015, 5, 7254 |
4516662 | CIF | C38 H31 Cl N5 P Ru | P 1 21/c 1 | 33.581; 10.1257; 19.1334 90; 101.527; 90 | 6374.7 | Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity ACS Catalysis, 2015, 5, 5468 |
4516663 | CIF | C44.5 H38 Cl F6 N5 O6 P Ru S2 | C 1 2/c 1 | 31.847; 12.7757; 25.6211 90; 117.055; 90 | 9283.7 | Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity ACS Catalysis, 2015, 5, 5468 |
4516664 | CIF | C40 H33 F3 N5 O P Ru | P -1 | 9.4999; 10.3978; 18.4333 79.884; 84.512; 68.604 | 1667.97 | Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity ACS Catalysis, 2015, 5, 5468 |
4516665 | CIF | C54 H42 Cl N5 P2 Ru | P 1 21/c 1 | 11.5459; 20.4778; 18.8418 90; 104.485; 90 | 4313.2 | Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity ACS Catalysis, 2015, 5, 5468 |
4516666 | CIF | C56 H46 Cl N5 P2 Ru | P -1 | 11.8598; 13.6537; 16.6403 89.614; 87.952; 69.915 | 2529 | Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity ACS Catalysis, 2015, 5, 5468 |
4516667 | CIF | C60 H54 Cl N5 O3.5 P2 Ru | P 1 21/c 1 | 23.8181; 11.25; 20.994 90; 115.986; 90 | 5056.7 | Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity ACS Catalysis, 2015, 5, 5468 |
4516668 | CIF | C57 H49 Cl4 N5 P2 Ru | P n a 21 | 21.7779; 23.4319; 9.6235 90; 90; 90 | 4910.8 | Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity ACS Catalysis, 2015, 5, 5468 |
4516669 | CIF | C97 H81 N10 P2 Ru2 | P -1 | 13.7897; 15.8415; 19.6154 71.991; 73.73; 81.086 | 3900.9 | Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity ACS Catalysis, 2015, 5, 5468 |
4516670 | CIF | C38 H32 Cl F6 N5 P2 Ru | P -1 | 9.0716; 12.721; 15.6504 93.195; 103.235; 93.102 | 1751.2 | Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K. Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity ACS Catalysis, 2015, 5, 5468 |
4516671 | CIF | C34 H25 B Cu F4 N4 O3 P | P 1 21/n 1 | 12.5021; 13.6073; 19.1227 90; 108.373; 90 | 3087.32 | Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver [Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions ACS Catalysis, 2015, 5, 5186 |
4516672 | CIF | C42 H28 Cl10 N4 O6 P2 Pd2 | P -1 | 10.5194; 11.305; 12.8486 64.026; 86.154; 63.035 | 1207.7 | Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver [Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions ACS Catalysis, 2015, 5, 5186 |
4516673 | CIF | C47 H35 B Cl2 Cu F4 N4 O3 P | P b c n | 30.0446; 11.56203; 24.6258 90; 90; 90 | 8554.4 | Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver [Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions ACS Catalysis, 2015, 5, 5186 |
4516674 | CIF | C44 H56 Fe Li N2 O Si2 | P 1 21/n 1 | 11.3913; 26.6073; 13.8664 90; 103.752; 90 | 4082.3 | Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application ACS Catalysis, 2015, 5, 6230 |
4516675 | CIF | C35 H33 Fe N2 O3 P | P 1 21/c 1 | 14.14; 13.3999; 16.5218 90; 112.094; 90 | 2900.6 | Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application ACS Catalysis, 2015, 5, 6230 |
4516676 | CIF | C56 H53 Fe N2 P | P 1 21/c 1 | 16.7305; 14.4122; 17.4229 90; 93.471; 90 | 4193.4 | Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application ACS Catalysis, 2015, 5, 6230 |
4516677 | CIF | C38 H33 Fe N5 | P n a 21 | 16.9958; 10.2025; 17.6294 90; 90; 90 | 3056.9 | Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application ACS Catalysis, 2015, 5, 6230 |
4516678 | CIF | C368 H416 F24 Fe8 N16 Na4 O28.7 P4 | P 4/m n c | 17.2377; 17.2377; 27.3182 90; 90; 90 | 8117.3 | Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application ACS Catalysis, 2015, 5, 6230 |
4516679 | CIF | C32 H24 Cl2 Fe N2 | P 1 21/c 1 | 19.5314; 9.7274; 13.93 90; 99.058; 90 | 2613.55 | Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application ACS Catalysis, 2015, 5, 6230 |
4516680 | CIF | C46 H64 Fe N2 O4 Ti | P 21 21 21 | 10.8375; 14.8073; 27.377 90; 90; 90 | 4393.3 | Brown, Lauren A.; Rhinehart, Jennifer L.; Long, Brian K. Effects of Ferrocenyl Proximity and Monomer Presence during Oxidation for the Redox-Switchable Polymerization of l-Lactide ACS Catalysis, 2015, 5, 6057 |
4516681 | CIF | C20 H18 F4 | P 1 21/a 1 | 6.1162; 15.02; 17.666 90; 96.537; 90 | 1612.3 | Ichitsuka, Tomohiro; Fujita, Takeshi; Ichikawa, Junji Nickel-Catalyzed Allylic C(sp3)‒F Bond Activation of Trifluoromethyl Groups via β-Fluorine Elimination: Synthesis of Difluoro-1,4-dienes ACS Catalysis, 2015, 5, 5947 |
4516682 | CIF | C35 H30 Cl2 N2 O4 S | P 1 21 1 | 10.9711; 7.3155; 19.9974 90; 93.418; 90 | 1602.1 | Gao, Yuning; Xu, Qin; Shi, Min Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction ACS Catalysis, 2015, 5, 6608 |
4516683 | CIF | C20 H22 N2 O3 S | P 1 21/c 1 | 7.7705; 22.437; 11.0377 90; 105.525; 90 | 1854.2 | Gao, Yuning; Xu, Qin; Shi, Min Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction ACS Catalysis, 2015, 5, 6608 |
4516684 | CIF | C35 H28 Cl2 N2 O4 S | P -1 | 11.9029; 15.3015; 19.0001 85.692; 79.538; 67.684 | 3148.1 | Gao, Yuning; Xu, Qin; Shi, Min Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction ACS Catalysis, 2015, 5, 6608 |
4516685 | CIF | C24 H26 N2 O4 S | P -1 | 9.3454; 9.7516; 14.35 92.675; 101.306; 115.481 | 1144.9 | Gao, Yuning; Xu, Qin; Shi, Min Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction ACS Catalysis, 2015, 5, 6608 |
4516686 | CIF | C34 H28 Cl2 N2 O4 S | P 21 21 21 | 10.3652; 10.371; 28.86 90; 90; 90 | 3102.4 | Gao, Yuning; Xu, Qin; Shi, Min Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction ACS Catalysis, 2015, 5, 6608 |
4516687 | CIF | C25 H23 N O5 S | P 21 21 21 | 8.8035; 14.912; 17.9438 90; 90; 90 | 2355.62 | Liu, Ren-Rong; Wang, Dan-Jie; Wu, Liang; Xiang, Bin; Zhang, Guo-Qi; Gao, Jian-Rong; Jia, Yi-Xia Nickel-Catalyzed Enantioselective Addition of Styrenes to Cyclic N-Sulfonyl α-Ketiminoesters ACS Catalysis, 2015, 5, 6524 |
4516688 | CIF | C66 H68 N4 Pd2 S4 | P 1 21/n 1 | 15.6832; 11.3541; 16.787 90; 92.189; 90 | 2987.1 | Degtyareva, Evgeniya S.; Burykina, Julia V.; Fakhrutdinov, Artem N.; Gordeev, Evgeniy G.; Khrustalev, Victor N.; Ananikov, Valentine P. Pd-NHC Catalytic System for the Efficient Atom-Economic Synthesis of Vinyl Sulfides from Tertiary, Secondary, or Primary Thiols ACS Catalysis, 2015, 5, 7208 |
4516689 | CIF | C22 H15 P S | P n a 21 | 8.233; 13.912; 15.188 90; 90; 90 | 1739.6 | Unoh, Yuto; Satoh, Tetsuya; Hirano, Koji; Miura, Masahiro Rhodium(III)-Catalyzed Direct Coupling of Arylphosphine Derivatives with Heterobicyclic Alkenes: A Concise Route to Biarylphosphines and Dibenzophosphole Derivatives ACS Catalysis, 2015, 5, 6634 |
4516690 | CIF | C24 H32 F3 I O3 S | P 1 21/c 1 | 9.6451; 25.6279; 10.7472 90; 102.565; 90 | 2592.91 | Berzina, Beatrise; Sokolovs, Igors; Suna, Edgars Copper-Catalyzed para-Selective C‒H Amination of Electron-Rich Arenes ACS Catalysis, 2015, 5, 7008 |
4516691 | CIF | C50 H32 B F24 N3 Ni O2 | P -1 | 11.4773; 13.0681; 18.2775 70.951; 80.767; 78.887 | 2528.57 | Escobar, Manuel A.; Trofymchuk, Oleksandra S.; Rodriguez, Barbara E.; Lopez-Lira, Claudia; Tapia, Ricardo; Daniliuc, Constantin; Berke, Heinz; Nachtigall, Fabiane M.; Santos, Leonardo S.; Rojas, Rene S. Lewis Acid Enhanced Ethene Dimerization and Alkene Isomerization—ESI-MS Identification of the Catalytically Active Pyridyldimethoxybenzimidazole Nickel(II) Hydride Species ACS Catalysis, 2015, 5, 7338 |
4516692 | CIF | C124 H186 F24 Ir4 N12 O25 S8 | P 1 21/c 1 | 11.1326; 28.0168; 13.6059 90; 96.8149; 90 | 4213.7 | Kim, Hyunwoo; Chang, Sukbok Iridium-Catalyzed Direct C‒H Amination with Alkylamines: Facile Oxidative Insertion of Amino Group into Iridacycle ACS Catalysis, 2015, 5, 6665 |
4516693 | CIF | C26 H24 N2 O3 | P 1 21 1 | 9.4911; 9.8015; 12.0673 90; 103.604; 90 | 1091.09 | Li, Dan; Wang, Linqing; Yang, Dongxu; Zhang, Bangzhi; Wang, Rui Catalytic Desymmetrization of meso-Aziridines with Benzofuran-2(3H)-Ones Employing a Simple In Situ-Generated Magnesium Catalyst ACS Catalysis, 2015, 5, 7432 |
4516694 | CIF | C24 H25 N3 O2 | P 21 21 21 | 5.1839; 17.316; 23.0197 90; 90; 90 | 2066.35 | Qureshi, Zafar; Kim, Jung Yun; Bruun, Theodora; Lam, Heather; Lautens, Mark Cu/Pd-Catalyzed Synthesis of Fully Decorated Polycyclic Triazoles: Introducing C‒H Functionalization to Multicomponent Multicatalytic Reactions ((MC)2R) ACS Catalysis, 2016, 6, 4946 |
4516695 | CIF | C62 H81 O5 Si Y | P -1 | 12.0346; 14.3451; 16.9307 101.182; 90.368; 96 | 2850.61 | Xu, Tie-Qi; Yang, Guan-Wen; Lu, Xiao-Bing Highly Isotactic and High-Molecular-Weight Poly(2-vinylpyridine) by Coordination Polymerization with Yttrium Bis(phenolate) Ether Catalysts ACS Catalysis, 2016, 6, 4907 |
4516696 | CIF | C76 H87 Co N6 O2 Si2 | P 1 21 1 | 12.1686; 15.7163; 17.6104 90; 100.762; 90 | 3308.67 | Ibrahim, Abdulrahman D.; Entsminger, Steven W.; Zhu, Lingyang; Fout, Alison R. A Highly Chemoselective Cobalt Catalyst for the Hydrosilylation of Alkenes using Tertiary Silanes and Hydrosiloxanes ACS Catalysis, 2016, 6, 3589 |
4516697 | CIF | C168 H156 Cl4 N20 P4 Ru4 | P -4 | 19.0698; 19.0698; 9.8294 90; 90; 90 | 3574.5 | Hale, Lillian V. A.; Malakar, Tanmay; Tseng, Kuei-Nin T.; Zimmerman, Paul M.; Paul, Ankan; Szymczak, Nathaniel K. The Mechanism of Acceptorless Amine Double Dehydrogenation byN,N,N-Amide Ruthenium(II) Hydrides: A Combined Experimental and Computational Study ACS Catalysis, 2016, 6, 4799 |
4516698 | CIF | C184 H164 N24 P4 Ru4 | P 1 21/n 1 | 12.9692; 16.8857; 17.268 90; 90.769; 90 | 3781.2 | Hale, Lillian V. A.; Malakar, Tanmay; Tseng, Kuei-Nin T.; Zimmerman, Paul M.; Paul, Ankan; Szymczak, Nathaniel K. The Mechanism of Acceptorless Amine Double Dehydrogenation byN,N,N-Amide Ruthenium(II) Hydrides: A Combined Experimental and Computational Study ACS Catalysis, 2016, 6, 4799 |
4516699 | CIF | C23 H21 Cl N O2 | P 21 21 21 | 9.5413; 12.5331; 16.6646 90; 90; 90 | 1992.8 | Zhang, Ming; Sun, Wangsheng; Zhu, Gongming; Bao, Guangjun; Zhang, Bangzhi; Hong, Liang; Li, Min; Wang, Rui Enantioselective Dearomative Arylation of Isoquinolines ACS Catalysis, 2016, 6, 5290 |
4516700 | CIF | C38 H27 N O | P -1 | 11.23; 12.753; 20.255 85.686; 80.147; 74.114 | 2747.7 | Li, Xingwei; Yang, Xifa; Qi, Zisong Synthesis of Cyclopentadienols by Rhodium-Catalyzed C‒H Activation of 8-Formylquinolines and [2+2+1] Carbocyclization with Alkynes ACS Catalysis, 2016, 6, 6372 |
4516701 | CIF | C26 H35 O5 P | P 1 21/n 1 | 9.4338; 11.4458; 23.1231 90; 97.4269; 90 | 2475.83 | Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins ACS Catalysis, 2016, 6, 7554 |
4516702 | CIF | C7 H5 O4 P | P 1 21/n 1 | 4.5729; 14.1363; 11.7191 90; 100.631; 90 | 744.57 | Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins ACS Catalysis, 2016, 6, 7554 |
4516703 | CIF | C48 H53 O12 P2 Rh | P -1 | 10.8599; 15.1287; 15.5406 102.742; 101.78; 100.56 | 2367.22 | Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins ACS Catalysis, 2016, 6, 7554 |
4516704 | CIF | C18 H19 O5 P | P 1 21/c 1 | 7.9973; 11.7658; 18.4161 90; 93.7246; 90 | 1729.2 | Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins ACS Catalysis, 2016, 6, 7554 |
4516705 | CIF | C24 H27 N O4 S | P -1 | 8.6854; 11.1584; 12.3533 110.734; 96.486; 95.657 | 1100.08 | Teske, Johannes; Plietker, Bernd A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates ACS Catalysis, 2016, 6, 7148 |
4516706 | CIF | C39 H32 B Cl2 F4 Fe N O3 P2 | P 1 21/n 1 | 16.7984; 13.6152; 16.9579 90; 103.928; 90 | 3764.5 | Teske, Johannes; Plietker, Bernd A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates ACS Catalysis, 2016, 6, 7148 |
4516707 | CIF | C40 H34 B Cl3 F4 Fe N2 O2 P2 | P -1 | 12.2695; 12.9467; 14.1404 78.636; 69.027; 83.561 | 2054.1 | Teske, Johannes; Plietker, Bernd A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates ACS Catalysis, 2016, 6, 7148 |
4516708 | CIF | C18 H21 F3 N4 Ni O3 S | P 1 21/n 1 | 6.9941; 17.4234; 17.1188 90; 98.8919; 90 | 2061.04 | Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation ACS Catalysis, 2016, 6, 8192 |
4516709 | CIF | C15 H16 I N3 Ni O | P 1 21/c 1 | 13.4405; 10.5724; 11.268 90; 93.709; 90 | 1597.81 | Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation ACS Catalysis, 2016, 6, 8192 |
4516710 | CIF | C18 H21 F3 N4 Ni O3 S | C 1 2/c 1 | 14.416; 11.0236; 25.901 90; 98.801; 90 | 4067.62 | Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation ACS Catalysis, 2016, 6, 8192 |
4516711 | CIF | C40 H46 Fe N4 O3 | P b c n | 24.0256; 13.1262; 22.3213 90; 90; 90 | 7039.4 | MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P. Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration ACS Catalysis, 2016, 6, 7217 |
4516712 | CIF | C150 H162 F12 Fe4 N12 O6 P2 | P 21 21 2 | 22.7811; 22.9453; 13.3383 90; 90; 90 | 6972.2 | MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P. Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration ACS Catalysis, 2016, 6, 7217 |
4516713 | CIF | C36 H36 Fe N6 O6 | P 1 21/n 1 | 8.0949; 23.7481; 17.1961 90; 97.427; 90 | 3278.02 | MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P. Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration ACS Catalysis, 2016, 6, 7217 |
4516714 | CIF | C42 H50 Fe N4 O5 | P 1 21 1 | 15.49431; 16.23501; 15.84297 90; 107.287; 90 | 3805.28 | MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P. Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration ACS Catalysis, 2016, 6, 7217 |
4516715 | CIF | C16 H15 N3 O4 | P 1 21/c 1 | 10.2029; 19.4064; 7.7687 90; 91.548; 90 | 1537.7 | Prieto, Alexis; Bouyssi, Didier; Monteiro, Nuno Copper-Catalyzed Double C‒H Alkylation of Aldehyde-Derived N,N-Dialkylhydrazones with Polyhalomethanes: Flexible Access to 4-Functionalized Pyrazoles ACS Catalysis, 2016, 6, 7197 |
4516716 | CIF | C33 H22 Cl3 N4 Ni O2 | P -1 | 9.0058; 9.3091; 17.9195 79.797; 80.388; 89.868 | 1457.21 | He, Zhiqi; Huang, Yong Diverting C‒H Annulation Pathways: Nickel-Catalyzed Dehydrogenative Homologation of Aromatic Amides ACS Catalysis, 2016, 6, 7814 |
4516717 | CIF | C45 H29 F4 N2 O2 | C 1 2 1 | 29.3161; 8.847; 16.2475 90; 122.222; 90 | 3564.9 | He, Zhiqi; Huang, Yong Diverting C‒H Annulation Pathways: Nickel-Catalyzed Dehydrogenative Homologation of Aromatic Amides ACS Catalysis, 2016, 6, 7814 |
4516718 | CIF | C19 H22 O5 S | P 21 21 21 | 5.6343; 17.0439; 18.3976 90; 90; 90 | 1766.73 | Gutiérrez-Bonet, Álvaro; Tellis, John C.; Matsui, Jennifer K.; Vara, Brandon A.; Molander, Gary A. 1,4-Dihydropyridines as Alkyl Radical Precursors: Introducing the Aldehyde Feedstock to Nickel/Photoredox Dual Catalysis. ACS catalysis, 2016, 6, 8004-8008 |
4516719 | CIF | C22 H40 Cl2 N2 Ni O5 | C 1 2/c 1 | 13.0843; 30.4; 6.6223 90; 92.47; 90 | 2631.7 | Gutiérrez-Bonet, Álvaro; Tellis, John C.; Matsui, Jennifer K.; Vara, Brandon A.; Molander, Gary A. 1,4-Dihydropyridines as Alkyl Radical Precursors: Introducing the Aldehyde Feedstock to Nickel/Photoredox Dual Catalysis. ACS catalysis, 2016, 6, 8004-8008 |
4516720 | CIF | C26 H23 Cl Cu N2 O3 | P b c a | 13.278; 17.113; 20.133 90; 90; 90 | 4574.7 | Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B. Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air ACS Catalysis, 2016, 6, 8332 |
4516721 | CIF | C22 H14 Br Cu F3 N2 O2 | P 1 21/c 1 | 12.615; 13.308; 13.396 90; 116.537; 90 | 2012 | Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B. Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air ACS Catalysis, 2016, 6, 8332 |
4516722 | CIF | C29 H22 Cl Cu N3 O2 | P 1 21/n 1 | 15.5811; 8.8795; 17.1799 90; 96.394; 90 | 2362.09 | Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B. Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air ACS Catalysis, 2016, 6, 8332 |
4516723 | CIF | C22 H17 Cu N3 O5 | P 1 21/n 1 | 7.3869; 17.69; 14.677 90; 90.094; 90 | 1917.9 | Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B. Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air ACS Catalysis, 2016, 6, 8332 |
4516724 | CIF | C31 H38 Cu N2 O4 | P -1 | 9.019; 14.953; 20.897 86.86; 85.15; 89.96 | 2804 | Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B. Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air ACS Catalysis, 2016, 6, 8332 |
4516725 | CIF | C138 H106 B6 O27 | P -1 | 9.5117; 16.2069; 19.2829 95.824; 98.182; 102.531 | 2845.1 | Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B. Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air ACS Catalysis, 2016, 6, 8332 |
4516726 | CIF | C28 H21 N3 O3 | P -1 | 8.4814; 13.8492; 19.5575 86.4189; 81.6947; 73.8739 | 2183.1 | Yamamoto, Yoshihiko; Nishimura, Kei-ichiro; Shibuya, Masatoshi Ruthenium-Catalyzed Cycloisomerization of 1,6-Diynes with Styryl Terminals Leading to Indenylidene Cycloalkanes ACS Catalysis, 2017, 7, 1101 |
4516727 | CIF | C33 H40 O7 | P 1 | 6.1366; 11.2261; 11.6894 67.3845; 81.2585; 88.6059 | 734.21 | Eisink, Niek N. H. M.; Witte, Martin D.; Minnaard, Adriaan J. Regioselective Carbohydrate Oxidations: A Nuclear Magnetic Resonance (NMR) Study on Selectivity, Rate, and Side-Product Formation. ACS catalysis, 2017, 7, 1438-1445 |
4516728 | CIF | C17 H18 Cl3 F6 N8 P Pd | P -1 | 6.915; 12.31; 14.954 82.822; 83.631; 85.687 | 1252.7 | Schroeter, Felix; Soellner, Johannes; Strassner, Thomas Cross-Coupling Catalysis by an Anionic Palladium Complex ACS Catalysis, 2017, 7, 3004 |
4516729 | CIF | C18 H42 Cl3 N O Pd S | P n a 21 | 9.133; 21.693; 12.682 90; 90; 90 | 2512.6 | Schroeter, Felix; Soellner, Johannes; Strassner, Thomas Cross-Coupling Catalysis by an Anionic Palladium Complex ACS Catalysis, 2017, 7, 3004 |
4516730 | CIF | C38.5 H40 F9 N6.5 O2.5 S | C 2 2 21 | 13.08003; 23.3536; 26.5956 90; 90; 90 | 8124.05 | Neuvonen, Antti J.; Földes, Tamás; Madarász, Ádám; Pápai, Imre; Pihko, Petri M. Organocatalysts Fold To Generate an Active Site Pocket for the Mannich Reaction ACS Catalysis, 2017, 7, 3284 |
4516731 | CIF | C15 H19 N O4 S | P 1 21/c 1 | 12.6954; 5.5859; 22.534 90; 102.103; 90 | 1562.5 | Cao, Tao; Yang, Zheng; Ma, Shengming Selectivities in Nickel-Catalyzed Hydrocarboxylation of Enynes with Carbon Dioxide ACS Catalysis, 2017, 7, 4504 |
4516732 | CIF | C23.5 H20 Cl2 N5 O2 Ru | P -1 | 9.0731; 10.4974; 12.7753 98.387; 102.017; 101.29 | 1144.77 | Ono, Takashi; Qu, Shuanglin; Gimbert-Suriñach, Carolina; Johnson, Michelle A.; Marell, Daniel J.; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni Hydrogenative Carbon Dioxide Reduction Catalyzed by Mononuclear Ruthenium Polypyridyl Complexes: Discerning between Electronic and Steric Effects ACS Catalysis, 2017, 7, 5932 |
4516733 | CIF | C31 H26 Cl3 N7 Ru | P 1 21/c 1 | 10.3114; 14.828; 18.855 90; 92.38; 90 | 2880.4 | Ono, Takashi; Qu, Shuanglin; Gimbert-Suriñach, Carolina; Johnson, Michelle A.; Marell, Daniel J.; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni Hydrogenative Carbon Dioxide Reduction Catalyzed by Mononuclear Ruthenium Polypyridyl Complexes: Discerning between Electronic and Steric Effects ACS Catalysis, 2017, 7, 5932 |
4516734 | CIF | C20 H20 N2 O2 S | P -1 | 5.3524; 9.849; 16.789 91.22; 96.68; 91.44 | 878.5 | Li, Long; Chen, Xiu-Mei; Wang, Ze-Shu; Zhou, Bo; Liu, Xin; Lu, Xin; Ye, Long-Wu Reversal of Regioselectivity in Catalytic Arene-Ynamide Cyclization: Direct Synthesis of Valuable Azepino[4,5-b]indoles and β-Carbolines and DFT Calculations ACS Catalysis, 2017, 7, 4004 |
4516735 | CIF | C21 H24 N2 O2 S | P 1 21 1 | 9.6188; 16.8151; 11.4121 90; 92.913; 90 | 1843.42 | Li, Long; Chen, Xiu-Mei; Wang, Ze-Shu; Zhou, Bo; Liu, Xin; Lu, Xin; Ye, Long-Wu Reversal of Regioselectivity in Catalytic Arene-Ynamide Cyclization: Direct Synthesis of Valuable Azepino[4,5-b]indoles and β-Carbolines and DFT Calculations ACS Catalysis, 2017, 7, 4004 |
4516736 | CIF | C31 H62 B Co N O2 P3 | P -1 | 10.8798; 11.5927; 14.6647 84.709; 78.676; 86.719 | 1804.42 | Obligacion, Jennifer V.; Chirik, Paul J. Mechanistic Studies of Cobalt-Catalyzed C(sp<sup>2</sup>)-H Borylation of Five-Membered Heteroarenes with Pinacolborane. ACS catalysis, 2017, 7, 4366-4371 |
4516737 | CIF | C42 H53 B2 N O8 | P n a 21 | 13.029; 31.24; 9.883 90; 90; 90 | 4023 | Chong, Che Chang; Rao, Bin; Kinjo, Rei Metal-Free Catalytic Reduction of α,β-Unsaturated Esters by 1,3,2-Diazaphospholene and Subsequent C‒C Coupling with Nitriles ACS Catalysis, 2017, 7, 5814 |
4516738 | CIF | C18 H22 O6 | P -1 | 5.9683; 11.8288; 12.2029 94.8482; 101.631; 100.091 | 824.32 | Chong, Che Chang; Rao, Bin; Kinjo, Rei Metal-Free Catalytic Reduction of α,β-Unsaturated Esters by 1,3,2-Diazaphospholene and Subsequent C‒C Coupling with Nitriles ACS Catalysis, 2017, 7, 5814 |
4516739 | CIF | C28 H44 B2 Co F8 N4 P4 | P -1 | 10.0889; 10.4012; 10.9505 114.987; 111.721; 93.719 | 933.62 | Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C. Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis ACS Catalysis, 2017, 7, 6008 |
4516740 | CIF | C22 H51 B2 Co F8 N P4 | P 1 21/n 1 | 15.0848; 20.0234; 32.3058 90; 91.503; 90 | 9754.6 | Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C. Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis ACS Catalysis, 2017, 7, 6008 |
4516741 | CIF | C20 H32 Co P4 | A e a 2 | 15.7643; 16.3813; 8.9459 90; 90; 90 | 2310.19 | Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C. Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis ACS Catalysis, 2017, 7, 6008 |
4516742 | CIF | C78 H60 Cu3 N8 O15 | R -3 :H | 15.598; 15.598; 59.01 90; 90; 120 | 12434 | Wang, Xiao-Kun; Liu, Jiang; Zhang, Lei; Dong, Long-Zhang; Li, Shun-Li; Kan, Yu-He; Li, Dong-Sheng; Lan, Ya-Qian Monometallic Catalytic Models Hosted in Stable Metal‒Organic Frameworks for Tunable CO2 Photoreduction ACS Catalysis, 2019, 9, 1726 |
4516743 | CIF | C78 H66 Co3 N8 O18 | R -3 :H | 15.7439; 15.7439; 61.146 90; 90; 120 | 13125.7 | Wang, Xiao-Kun; Liu, Jiang; Zhang, Lei; Dong, Long-Zhang; Li, Shun-Li; Kan, Yu-He; Li, Dong-Sheng; Lan, Ya-Qian Monometallic Catalytic Models Hosted in Stable Metal‒Organic Frameworks for Tunable CO2 Photoreduction ACS Catalysis, 2019, 9, 1726 |
4516744 | CIF | C468 H450 N48 Ni18 O135 | R -3 :H | 15.7128; 15.7128; 60.539 90; 90; 120 | 12944.1 | Wang, Xiao-Kun; Liu, Jiang; Zhang, Lei; Dong, Long-Zhang; Li, Shun-Li; Kan, Yu-He; Li, Dong-Sheng; Lan, Ya-Qian Monometallic Catalytic Models Hosted in Stable Metal‒Organic Frameworks for Tunable CO2 Photoreduction ACS Catalysis, 2019, 9, 1726 |
4517129 | CIF | C15 H17 N O | P 1 21/c 1 | 11.0739; 11.3132; 10.2916 90; 93.622; 90 | 1286.77 | Zhang, Min; Luo, Anping; Shi, Yang; Su, Rongchuan; Yang, Yudong; You, Jingsong F+ Reagent-Promoted Pd-Catalyzed C7‒H Arylation of 1-Naphthamides ACS Catalysis, 2019, 11802 |
4517130 | CIF | C23 H25 N O | P -1 | 7.4537; 10.8662; 12.8697 105.015; 99.127; 100.612 | 965.9 | Zhang, Min; Luo, Anping; Shi, Yang; Su, Rongchuan; Yang, Yudong; You, Jingsong F+ Reagent-Promoted Pd-Catalyzed C7‒H Arylation of 1-Naphthamides ACS Catalysis, 2019, 11802 |
4517131 | CIF | C21 H24 O3 | P 1 21/c 1 | 5.8229; 19.461; 15.4449 90; 91.423; 90 | 1749.7 | Chen, Bin; Zhang, Yunxing; Wu, Rui; Fang, Dongmei; Chen, Xiaozhen; Wang, Simin; Zhao, Yuqiong; Hu, Ping; Zhao, Ke-Qing; Wang, Bi-Qin; Cao, Peng Modular Synthesis of 2,8-Dioxabicyclo[3.2.1]octanes by Sequential Catalysis ACS Catalysis, 2019, 11788 |
4517147 | CIF | C17 H18 N2 O2 | P 1 | 6.326; 10.0783; 12.7658 69.309; 86.674; 77.439 | 743.01 | Robinson, Donovan J.; Spurlin, Sean P.; Gorden, John D.; Karimov, Rashad R. Enantioselective Synthesis of Dihydropyridines Containing Quaternary Stereocenters Through Dearomatization of Pyridinium Salts ACS Catalysis, 2019, 51 |
4517148 | CIF | C17 H21 N O2 | P 1 21 1 | 6.3498; 10.024; 11.8562 90; 98.403; 90 | 746.55 | Robinson, Donovan J.; Spurlin, Sean P.; Gorden, John D.; Karimov, Rashad R. Enantioselective Synthesis of Dihydropyridines Containing Quaternary Stereocenters Through Dearomatization of Pyridinium Salts ACS Catalysis, 2019, 51 |
4517149 | CIF | C36 H58 Cl3 F3 N2 O7 P2 Ru2 S | P 1 21/n 1 | 17.416; 15.909; 17.479 90; 111.302; 90 | 4512.1 | Cherepakhin, Valeriy; Williams, Travis J. Catalyst Evolution in Ruthenium-Catalyzed Coupling of Amines and Alcohols ACS Catalysis, 2019, 56 |
4517150 | CIF | C44 H71 Cl2 F3 N3 O4 P3 Ru3 S | P 1 21/c 1 | 13.4; 20.266; 19.218 90; 97.812; 90 | 5170 | Cherepakhin, Valeriy; Williams, Travis J. Catalyst Evolution in Ruthenium-Catalyzed Coupling of Amines and Alcohols ACS Catalysis, 2019, 56 |
4517162 | CIF | C53 H44 Cl Fe N O3 S | P 1 | 12.2076; 12.7468; 16.7154 75.2715; 69.3507; 63.0204 | 2155.2 | Yoshida, Kazuhiro; Liu, Qiang; Yasue, Risa; Wada, Shiro; Kimura, Ryosuke; Konishi, Takuma; Ogasawara, Masamichi Versatile and Enantioselective Preparation of Planar-Chiral Metallocene-Fused 4-Dialkylaminopyridines and Their Application in Asymmetric Organocatalysis ACS Catalysis, 2019, 292 |
4517163 | CIF | C50 H46 Fe N2 | P 21 21 21 | 10.9661; 17.5243; 19.8084 90; 90; 90 | 3806.6 | Yoshida, Kazuhiro; Liu, Qiang; Yasue, Risa; Wada, Shiro; Kimura, Ryosuke; Konishi, Takuma; Ogasawara, Masamichi Versatile and Enantioselective Preparation of Planar-Chiral Metallocene-Fused 4-Dialkylaminopyridines and Their Application in Asymmetric Organocatalysis ACS Catalysis, 2019, 292 |
4517164 | CIF | C25 H29 N S | P 1 21 1 | 13.0414; 5.7208; 14.1145 90; 93.997; 90 | 1050.48 | Feng, Sheng; Hao, Hua; Liu, Peng; Buchwald, Stephen L. Diastereo- and Enantioselective CuH-Catalyzed Hydroamination of Strained Trisubstituted Alkenes ACS Catalysis, 2019, 282 |
4517165 | CIF | C37 H40 Cl Fe N O P S | P -1 | 9.5205; 13.2892; 14.2405 76.299; 75.44; 73.252 | 1643.39 | Song, Heng; Yang, Zhuoyi; Tung, Chen-Ho; Wang, Wenguang Iron-Catalyzed Reductive Coupling of Nitroarenes with Olefins: Intermediate of Iron‒Nitroso Complex ACS Catalysis, 2019, 276 |
4517166 | CIF | C49 H50 Fe O P2 S2 | P 1 21/c 1 | 15.0306; 14.4302; 20.0912 90; 106.058; 90 | 4187.6 | Song, Heng; Yang, Zhuoyi; Tung, Chen-Ho; Wang, Wenguang Iron-Catalyzed Reductive Coupling of Nitroarenes with Olefins: Intermediate of Iron‒Nitroso Complex ACS Catalysis, 2019, 276 |
4517167 | CIF | C18 H24 N2 O | P b c a | 11.3428; 11.7215; 24.5548 90; 90; 90 | 3264.67 | Song, Heng; Yang, Zhuoyi; Tung, Chen-Ho; Wang, Wenguang Iron-Catalyzed Reductive Coupling of Nitroarenes with Olefins: Intermediate of Iron‒Nitroso Complex ACS Catalysis, 2019, 276 |
4517168 | CIF | C17 H15 N | P b c a | 16.3043; 8.1054; 18.5358 90; 90; 90 | 2449.56 | Song, Heng; Yang, Zhuoyi; Tung, Chen-Ho; Wang, Wenguang Iron-Catalyzed Reductive Coupling of Nitroarenes with Olefins: Intermediate of Iron‒Nitroso Complex ACS Catalysis, 2019, 276 |
4517169 | CIF | C11 H22 O2 | P b c a | 9.6851; 7.3807; 31.3965 90; 90; 90 | 2244.31 | Wu, Bin; Zhu, Rong Radical Philicity Inversion in Co- and Fe-Catalyzed Hydrogen-Atom-Transfer-Initiated Cyclizations of Unsaturated Acylsilanes ACS Catalysis, 2019, 10, 510 |
4517170 | CIF | C49 H39 N O3 P2 Ru | C 1 2/c 1 | 19.1587; 20.6734; 20.688 90; 107.466; 90 | 7816.2 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
4517171 | CIF | C21 H19 Cl N4 | P -1 | 8.9649; 9.952; 11.7814 100.554; 105.986; 111.878 | 888.28 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
4517172 | CIF | C18 H15 F N2 | P 1 21/c 1 | 19.3115; 5.8472; 12.709 90; 106.294; 90 | 1377.44 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
4517173 | CIF | C33 H29 N2 O2 P Ru | P n a 21 | 16.2264; 9.3716; 17.7053 90; 90; 90 | 2692.4 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
4517174 | CIF | C55 H53 N O3.5 P2 Ru | P 1 21/n 1 | 11.9019; 15.2039; 24.7562 90; 93.907; 90 | 4469.4 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
4517175 | CIF | C18 H16 N2 O | P b c a | 18.7085; 6.2302; 24.4878 90; 90; 90 | 2854.24 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
4517176 | CIF | C18 H15 F N2 O | P 1 21/c 1 | 8.1191; 5.6386; 31.0628 90; 93.276; 90 | 1419.74 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
4517177 | CIF | C21 H19 F N4 | P 1 21/c 1 | 11.2425; 9.3295; 16.3348 90; 94.764; 90 | 1707.39 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
4517178 | CIF | C27 H22 N4 O2 | P -1 | 6.3344; 12.4251; 13.9524 106.848; 91.291; 93.64 | 1047.9 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
4517179 | CIF | C34 H33 B F2 N6 | P -1 | 10.4593; 16.8136; 16.9094 94.418; 94.02; 90.953 | 2956.8 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
4517180 | CIF | C33 H35 N5 O2 | P 1 21/n 1 | 10.1416; 27.4937; 10.2461 90; 101.977; 90 | 2794.7 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
4517181 | CIF | C18 H16 N2 | P c a 21 | 12.2928; 6.0102; 36.9034 90; 90; 90 | 2726.5 | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization ACS Catalysis, 2019, 435 |
4517182 | CIF | C30 H29 Mo O2 P S | C 1 2/c 1 | 19.389; 15.694; 17.49 90; 101.224; 90 | 5220 | Hou, Shu-Fen; Chen, Jia-Yi; Xue, Minghui; Jia, Mengjing; Zhai, Xiaofang; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang Cooperative Molybdenum-Thiolate Reactivity for Transfer Hydrogenation of Nitriles ACS Catalysis, 2019, 380 |
4517183 | CIF | C34 H38 B2 F8 Mo N3 P S | P -1 | 11.1302; 13.2104; 13.9442 75.533; 73.017; 67.252 | 1786.43 | Hou, Shu-Fen; Chen, Jia-Yi; Xue, Minghui; Jia, Mengjing; Zhai, Xiaofang; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang Cooperative Molybdenum-Thiolate Reactivity for Transfer Hydrogenation of Nitriles ACS Catalysis, 2019, 380 |
4517184 | CIF | C30 H32 Mo N P S | P 1 21/n 1 | 11.1248; 18.197; 12.9432 90; 90.632; 90 | 2620.04 | Hou, Shu-Fen; Chen, Jia-Yi; Xue, Minghui; Jia, Mengjing; Zhai, Xiaofang; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang Cooperative Molybdenum-Thiolate Reactivity for Transfer Hydrogenation of Nitriles ACS Catalysis, 2019, 380 |
4517185 | CIF | C28 H32 B Mo P S | P 1 21/n 1 | 10.8462; 16.9076; 14.8894 90; 105.26; 90 | 2634.19 | Hou, Shu-Fen; Chen, Jia-Yi; Xue, Minghui; Jia, Mengjing; Zhai, Xiaofang; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang Cooperative Molybdenum-Thiolate Reactivity for Transfer Hydrogenation of Nitriles ACS Catalysis, 2019, 380 |
4517213 | CIF | C58 H52 F6 O4 P4 Pd | P 1 21/n 1 | 11.0969; 18.3586; 12.3866 90; 94.46; 90 | 2515.8 | Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P. gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation ACS Catalysis, 2019, 10, 663 |
4517214 | CIF | C29 H30 Cl2 P2 Pd | P 1 21/c 1 | 11.3082; 17.6113; 13.8182 90; 92.789; 90 | 2748.7 | Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P. gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation ACS Catalysis, 2019, 10, 663 |
4517215 | CIF | C36 H44 Cl4 P2 Pd | P b c a | 21.8565; 14.7082; 22.7524 90; 90; 90 | 7314.2 | Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P. gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation ACS Catalysis, 2019, 10, 663 |
4517216 | CIF | C33 H38 Cl2 P2 Pd | P 1 21/n 1 | 11.2984; 20.6157; 14.14 90; 110.081; 90 | 3093.3 | Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P. gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation ACS Catalysis, 2019, 10, 663 |
4517217 | CIF | C63 H56 B8 O16 | P -1 | 5.1932; 15.4161; 18.5227 72.871; 83.638; 89.832 | 1407.71 | Michigami, Kenichi; Sakaguchi, Tatsuhiko; Takemoto, Yoshiji Catalytic Dehydrative Peptide Synthesis with gem-Diboronic Acids ACS Catalysis, 2019, 10, 683 |
4517218 | CIF | C20 H40 O4 S Si4 | P 1 21/c 1 | 22.0893; 9.47947; 14.2315 90; 107.915; 90 | 2835.51 | Zhang, Zhikun; Hu, Xile Arylsilylation of Electron-Deficient Alkenes via Cooperative Photoredox and Nickel Catalysis ACS Catalysis, 2019, 10, 777 |
4517264 | CIF | C29 H26 N2 O3 | C 1 2/c 1 | 28.645; 9.1579; 22.276 90; 126.87; 90 | 4675 | Bai, Zibo; Bai, Ziqian; Song, Fangfang; Wang, Hao; Chen, Gong; He, Gang Palladium-Catalyzed Amide-Directed Hydrocarbofunctionalization of 3-Alkenamides with Alkynes ACS Catalysis, 2019, 933 |
4517265 | CIF | C24 H21 Br N2 O | P 1 21/n 1 | 7.5427; 6.6034; 39.366 90; 94.005; 90 | 1955.9 | Bai, Zibo; Bai, Ziqian; Song, Fangfang; Wang, Hao; Chen, Gong; He, Gang Palladium-Catalyzed Amide-Directed Hydrocarbofunctionalization of 3-Alkenamides with Alkynes ACS Catalysis, 2019, 933 |
4517271 | CIF | C49 H85 Cl O2.5 P2 Pd | P -1 | 11.8057; 15.6134; 15.6605 116.403; 99.017; 106.38 | 2343.1 | Scharf, Lennart T.; Rodstein, Ilja; Schmidt, Michelle; Scherpf, Thorsten; Gessner, Viktoria H. Unraveling the High Activity of Ylide-Functionalized Phosphines in Palladium-Catalyzed Amination Reactions: A Comparative Study with CyJohnPhos and PtBu3 ACS Catalysis, 2019, 999 |
4517272 | CIF | C43 H76 Cl N P2 Pd | P -1 | 11.3247; 12.9036; 15.526 86.814; 87.399; 68.191 | 2102.4 | Scharf, Lennart T.; Rodstein, Ilja; Schmidt, Michelle; Scherpf, Thorsten; Gessner, Viktoria H. Unraveling the High Activity of Ylide-Functionalized Phosphines in Palladium-Catalyzed Amination Reactions: A Comparative Study with CyJohnPhos and PtBu3 ACS Catalysis, 2019, 999 |
4517273 | CIF | C64 H116 P4 Pd | P -1 | 11.6891; 12.0707; 23.6505 80.935; 76.32; 70.62 | 3047.2 | Scharf, Lennart T.; Rodstein, Ilja; Schmidt, Michelle; Scherpf, Thorsten; Gessner, Viktoria H. Unraveling the High Activity of Ylide-Functionalized Phosphines in Palladium-Catalyzed Amination Reactions: A Comparative Study with CyJohnPhos and PtBu3 ACS Catalysis, 2019, 999 |
4517274 | CIF | C40 H51 Cl Cr N3 O3 | P -1 | 6.7438; 15.597; 19.696 68.339; 81.912; 81.492 | 1895.8 | Hooe, Shelby L.; Dressel, Julia M.; Dickie, Diane A.; Machan, Charles W. Highly Efficient Electrocatalytic Reduction of CO2 to CO by a Molecular Chromium Complex ACS Catalysis, 2019, 1146 |
4517285 | CIF | C19 H23 N O | P 1 21 1 | 11.2351; 5.6546; 11.98 90; 96.909; 90 | 755.56 | Duewel, Sabine; Schmermund, Luca; Faber, Tabea; Harms, Klaus; Srinivasan, Vasundara; Meggers, Eric; Hoebenreich, Sabrina Directed Evolution of an FeII-Dependent Halogenase for Asymmetric C(sp3)‒H Chlorination ACS Catalysis, 2019, 1272 |
4517286 | CIF | C25 H31 N O | P 1 21 1 | 13.5174; 6.0844; 24.6942 90; 92.239; 90 | 2029.4 | Duewel, Sabine; Schmermund, Luca; Faber, Tabea; Harms, Klaus; Srinivasan, Vasundara; Meggers, Eric; Hoebenreich, Sabrina Directed Evolution of an FeII-Dependent Halogenase for Asymmetric C(sp3)‒H Chlorination ACS Catalysis, 2019, 1272 |
4517287 | CIF | C25 H31 N O | P 21 21 21 | 9.9772; 10.027; 21.2241 90; 90; 90 | 2123.3 | Duewel, Sabine; Schmermund, Luca; Faber, Tabea; Harms, Klaus; Srinivasan, Vasundara; Meggers, Eric; Hoebenreich, Sabrina Directed Evolution of an FeII-Dependent Halogenase for Asymmetric C(sp3)‒H Chlorination ACS Catalysis, 2019, 1272 |
4517292 | CIF | C18 H23 N O | P 41 21 2 | 9.2782; 9.2782; 39.8985 90; 90; 90 | 3434.66 | Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species ACS Catalysis, 2020, 1334 |
4517293 | CIF | C20 H23 N O | P 1 21/n 1 | 5.6249; 8.6932; 34.663 90; 92.653; 90 | 1693.15 | Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species ACS Catalysis, 2020, 1334 |
4517294 | CIF | C16 H21 N O3 | P -1 | 6.5339; 8.3328; 15.0376 85.743; 84.357; 77.273 | 793.58 | Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species ACS Catalysis, 2020, 1334 |
4517295 | CIF | C16 H23 N O3 | P 21 21 21 | 9.47792; 11.47657; 15.35077 90; 90; 90 | 1669.76 | Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species ACS Catalysis, 2020, 1334 |
4517296 | CIF | C20 H23 N O2 | P 1 21/c 1 | 7.638; 11.3062; 20.7899 90; 95.235; 90 | 1787.86 | Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species ACS Catalysis, 2020, 1334 |
4517302 | CIF | C69 H61 B F24 N2 Pd | P -1 | 12.7592; 12.8409; 21.6356 85.111; 78.328; 76.463 | 3372.4 | Bermesheva, Evgeniya V.; Wozniak, Alyona I.; Andreyanov, Fedor A.; Karpov, Gleb O.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Topchiy, Maxim A.; Melnikova, Elizaveta K.; Nelyubina, Yulia V.; Gribanov, Pavel S.; Bermeshev, Maxim V. Polymerization of 5-Alkylidene-2-norbornenes with Highly Active Pd‒N-Heterocyclic Carbene Complex Catalysts: Catalyst Structure‒Activity Relationships ACS Catalysis, 2020, 1663-1678 |
4517303 | CIF | C37 H49 F6 N2 Pd Sb | P 1 21/c 1 | 13.8611; 16.2187; 16.4272 90; 95.818; 90 | 3674 | Bermesheva, Evgeniya V.; Wozniak, Alyona I.; Andreyanov, Fedor A.; Karpov, Gleb O.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Topchiy, Maxim A.; Melnikova, Elizaveta K.; Nelyubina, Yulia V.; Gribanov, Pavel S.; Bermeshev, Maxim V. Polymerization of 5-Alkylidene-2-norbornenes with Highly Active Pd‒N-Heterocyclic Carbene Complex Catalysts: Catalyst Structure‒Activity Relationships ACS Catalysis, 2020, 1663-1678 |
4517304 | CIF | C38 H49.88 B Cl3 F4 N2 Pd | P 1 21/n 1 | 12.2879; 12.5324; 25.74 90; 101.171; 90 | 3888.8 | Bermesheva, Evgeniya V.; Wozniak, Alyona I.; Andreyanov, Fedor A.; Karpov, Gleb O.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Topchiy, Maxim A.; Melnikova, Elizaveta K.; Nelyubina, Yulia V.; Gribanov, Pavel S.; Bermeshev, Maxim V. Polymerization of 5-Alkylidene-2-norbornenes with Highly Active Pd‒N-Heterocyclic Carbene Complex Catalysts: Catalyst Structure‒Activity Relationships ACS Catalysis, 2020, 1663-1678 |
4517305 | CIF | C70 H63 B F24 N2 Pd | P -1 | 12.7466; 13.1407; 21.5974 77.667; 83.865; 74.979 | 3408.2 | Bermesheva, Evgeniya V.; Wozniak, Alyona I.; Andreyanov, Fedor A.; Karpov, Gleb O.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Topchiy, Maxim A.; Melnikova, Elizaveta K.; Nelyubina, Yulia V.; Gribanov, Pavel S.; Bermeshev, Maxim V. Polymerization of 5-Alkylidene-2-norbornenes with Highly Active Pd‒N-Heterocyclic Carbene Complex Catalysts: Catalyst Structure‒Activity Relationships ACS Catalysis, 2020, 1663-1678 |
4517310 | CIF | C18 H20 N2 | P 1 21/c 1 | 9.2067; 5.9745; 24.769 90; 91.977; 90 | 1361.6 | Padhi, Birakishore; Kang, Geunhee; Kim, Eunmin; Ha, Jeongmin; Kim, Hyun Tae; Lim, Jeewoo; Joo, Jung Min Pd-Catalyzed C‒H Annulation of Five-Membered Heteroaryl Halides with Norbornene Derivatives ACS Catalysis, 2020, 1792-1798 |
4517319 | CIF | C18 H18 O | P 1 21/c 1 | 11.5972; 9.6059; 13.0289 90; 107.205; 90 | 1386.49 | Jiang, Cheng; Lu, Hong; Xu, Wen-Hua; Wu, Jianing; Yu, Tian-Yang; Xu, Peng-Fei; Wei, Hao Ni-Catalyzed 1,2-Acyl Migration Reactions Triggered by C‒C Bond Activation of Ketones ACS Catalysis, 2020, 1947-1953 |
4517320 | CIF | C22 H21 N O3 | P 1 21/c 1 | 11.3444; 16.6403; 10.0554 90; 103.695; 90 | 1844.23 | Jiang, Cheng; Lu, Hong; Xu, Wen-Hua; Wu, Jianing; Yu, Tian-Yang; Xu, Peng-Fei; Wei, Hao Ni-Catalyzed 1,2-Acyl Migration Reactions Triggered by C‒C Bond Activation of Ketones ACS Catalysis, 2020, 1947-1953 |
4517322 | CIF | C36 H42 Fe N4 O6 | P b c a | 12.5702; 16.2085; 33.5599 90; 90; 90 | 6837.6 | Coufourier, Sébastien; Gaignard Gaillard, Quentin; Lohier, Jean-François; Poater, Albert; Gaillard, Sylvain; Renaud, Jean-Luc Hydrogenation of CO2, Hydrogenocarbonate, and Carbonate to Formate in Water using Phosphine Free Bifunctional Iron Complexes ACS Catalysis, 2020, 2108-2116 |
4517323 | CIF | C34 H38.5 Fe N4 O6.25 | P b c a | 12.3781; 16.2241; 31.858 90; 90; 90 | 6397.8 | Coufourier, Sébastien; Gaignard Gaillard, Quentin; Lohier, Jean-François; Poater, Albert; Gaillard, Sylvain; Renaud, Jean-Luc Hydrogenation of CO2, Hydrogenocarbonate, and Carbonate to Formate in Water using Phosphine Free Bifunctional Iron Complexes ACS Catalysis, 2020, 2108-2116 |
4517324 | CIF | C43 H10 F20 N4 Ni O2 | I -4 2 d | 15.3766; 15.3766; 15.4761 90; 90; 90 | 3659.17 | Wu, Zhuo-Yan; Xue, Haozong; Wang, Teng; Guo, Yanru; Meng, Yin-Shan; Li, Xingguo; Zheng, Jie; Brückner, Christian; Rao, Guodong; Britt, R. David; Zhang, Jun-Long Mimicking of Tunichlorin: Deciphering the Importance of a β-Hydroxyl Substituent on Boosting the Hydrogen Evolution Reaction ACS Catalysis, 2020, 2177-2188 |
4517325 | CIF | C43 H8 F20 N4 Ni O2 | I -4 2 d | 15.4016; 15.4016; 15.4334 90; 90; 90 | 3660.95 | Wu, Zhuo-Yan; Xue, Haozong; Wang, Teng; Guo, Yanru; Meng, Yin-Shan; Li, Xingguo; Zheng, Jie; Brückner, Christian; Rao, Guodong; Britt, R. David; Zhang, Jun-Long Mimicking of Tunichlorin: Deciphering the Importance of a β-Hydroxyl Substituent on Boosting the Hydrogen Evolution Reaction ACS Catalysis, 2020, 2177-2188 |
4517326 | CIF | C16 H18 Br2 N2 Ni O S | P -1 | 8.379; 9.2459; 12.5657 80.0558; 75.674; 72.1841 | 893 | Yanagi, Tomoyuki; Somerville, Rosie J.; Nogi, Keisuke; Martin, Ruben; Yorimitsu, Hideki Ni-Catalyzed Carboxylation of C(sp2)‒S Bonds with CO2: Evidence for the Multifaceted Role of Zn ACS Catalysis, 2020, 2117-2123 |
4517327 | CIF | C28 H24 Br N4 Ni | P b c a | 12.3683; 11.2848; 32.6128 90; 90; 90 | 4551.9 | Yanagi, Tomoyuki; Somerville, Rosie J.; Nogi, Keisuke; Martin, Ruben; Yorimitsu, Hideki Ni-Catalyzed Carboxylation of C(sp2)‒S Bonds with CO2: Evidence for the Multifaceted Role of Zn ACS Catalysis, 2020, 2117-2123 |
4517328 | CIF | C57 H60 B F24 P2 Rh | C 1 2 1 | 18.1357; 18.1424; 17.9779 90; 90.1029; 90 | 5915.2 | Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S. Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization ACS Catalysis, 2020, 1984-1992 |
4517329 | CIF | C56 H56 B F26 P2 Rh | P c c n | 35.55; 17.7103; 18.7565 90; 90; 90 | 11809.1 | Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S. Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization ACS Catalysis, 2020, 1984-1992 |
4517330 | CIF | C54 H60 B F24 P2 Rh | P 1 21/c 1 | 13.8945; 17.8193; 23.5243 90; 96.457; 90 | 5787.44 | Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S. Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization ACS Catalysis, 2020, 1984-1992 |
4517331 | CIF | C54 H58 B F24 P2 Rh | P 1 2/n 1 | 17.59335; 18.77356; 35.33268 90; 91.6093; 90 | 11665.4 | Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S. Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization ACS Catalysis, 2020, 1984-1992 |
4517332 | CIF | C101 H106 B2 Cl2 F48 P4 Rh2 | P 21 21 2 | 24.0564; 18.6694; 12.3508 90; 90; 90 | 5546.97 | Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S. Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization ACS Catalysis, 2020, 1984-1992 |
4517333 | CIF | C50 H53.94 B F24 P2 Rh | P -1 | 13.4962; 15.0316; 15.0479 86.52; 82.231; 64.562 | 2731.48 | Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S. Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization ACS Catalysis, 2020, 1984-1992 |
4517334 | CIF | C44 H71 Cl F2 O P2 Pd | P -1 | 12.0444; 14.0441; 25.7109 93.9; 97.182; 92.677 | 4298.3 | Reina, Antonio; Krachko, Tetiana; Onida, Killian; Bouyssi, Didier; Jeanneau, Erwann; Monteiro, Nuno; Amgoune, Abderrahmane Development and Mechanistic Investigations of a Base-Free Suzuki‒Miyaura Cross-Coupling of α,α-Difluoroacetamides via C‒N Bond Cleavage ACS Catalysis, 2020, 2189-2197 |
4517335 | CIF | C53 H76.5 F4 N0.5 O3 P2 Pd | P -1 | 13.4397; 18.3716; 21.7868 81.169; 89.195; 73.803 | 5102.3 | Reina, Antonio; Krachko, Tetiana; Onida, Killian; Bouyssi, Didier; Jeanneau, Erwann; Monteiro, Nuno; Amgoune, Abderrahmane Development and Mechanistic Investigations of a Base-Free Suzuki‒Miyaura Cross-Coupling of α,α-Difluoroacetamides via C‒N Bond Cleavage ACS Catalysis, 2020, 2189-2197 |
4517336 | CIF | C28 H39 Ag F9 O P | P 1 21/c 1 | 9.8179; 14.1041; 20.6209 90; 99.978; 90 | 2812.24 | Panigrahi, Adyasha; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor Ag/Pd Cocatalyzed Direct Arylation of Fluoroarene Derivatives with Aryl Bromides ACS Catalysis, 2020, 2100-2107 |
4517337 | CIF | C104 H172 Ag4 Br4 Cl6 P4 | C 1 2/c 1 | 27.5364; 15.9525; 25.9141 90; 112.975; 90 | 10480.4 | Panigrahi, Adyasha; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor Ag/Pd Cocatalyzed Direct Arylation of Fluoroarene Derivatives with Aryl Bromides ACS Catalysis, 2020, 2100-2107 |
4517338 | CIF | C53 H54 Cl2 N2 O3 P Ru | P -1 | 9.051; 12.257; 23.016 99.247; 100.894; 94.83 | 2457 | Eivgi, Or; Vaisman, Anna; Nechmad, Noy B.; Baranov, Mark; Lemcoff, N. Gabriel Latent Ruthenium Benzylidene Phosphite Complexes for Visible-Light-Induced Olefin Metathesis ACS Catalysis, 2020, 2033-2038 |
4517339 | CIF | C61 H62 Cl2 N5 O9 P Ru | P 1 21/c 1 | 14.3812; 16.1503; 26.0144 90; 100.411; 90 | 5942.65 | Eivgi, Or; Vaisman, Anna; Nechmad, Noy B.; Baranov, Mark; Lemcoff, N. Gabriel Latent Ruthenium Benzylidene Phosphite Complexes for Visible-Light-Induced Olefin Metathesis ACS Catalysis, 2020, 2033-2038 |
4517340 | CIF | C25 H22 N O7 P | P 1 | 5.7494; 9.6543; 10.4417 100.704; 91.306; 94.062 | 567.68 | Trost, Barry M.; Shinde, Anand H.; Wang, Youliang; Zuo, Zhijun; Min, Chang Palladium-Catalyzed Regio-, Enantio-, and Diastereoselective Asymmetric [3 + 2] Cycloaddition Reactions: Synthesis of Chiral Cyclopentyl Phosphonates ACS Catalysis, 2020, 1969-1975 |
4517359 | CIF | C12 H12 Cl N O2 | P 21 21 21 | 8.269; 9.9012; 13.5986 90; 90; 90 | 1113.36 | Ren, Xinkun; Chandgude, Ajay L.; Fasan, Rudi Highly Stereoselective Synthesis of Fused Cyclopropane-γ-Lactams via Biocatalytic Iron-Catalyzed Intramolecular Cyclopropanation ACS Catalysis, 2020, 2308-2313 |
4517360 | CIF | C12 H13 N O | P 1 21 1 | 5.6803; 9.2798; 9.3092 90; 90.739; 90 | 490.67 | Ren, Xinkun; Chandgude, Ajay L.; Fasan, Rudi Highly Stereoselective Synthesis of Fused Cyclopropane-γ-Lactams via Biocatalytic Iron-Catalyzed Intramolecular Cyclopropanation ACS Catalysis, 2020, 2308-2313 |
4517361 | CIF | C30 H35 I N O5 P | P 21 21 21 | 9.1592; 11.449; 27.96 90; 90; 90 | 2932 | Yang, Guo-Hui; Zheng, Hanliang; Li, Xin; Cheng, Jin-Pei Asymmetric Synthesis of Axially Chiral Phosphamides via Atroposelective N-Allylic Alkylation ACS Catalysis, 2020, 2324-2333 |
4517365 | CIF | C37 H36 Fe N O P S | P 1 21 1 | 10.9997; 10.5162; 14.1245 90; 106.586; 90 | 1565.87 | Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling ACS Catalysis, 2020, 10, 1548-1554 |
4517366 | CIF | C32 H23 O P | P 1 21 1 | 9.5052; 11.4481; 11.0312 90; 93.722; 90 | 1197.84 | Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling ACS Catalysis, 2020, 10, 1548-1554 |
4517367 | CIF | C38 H37 Cl3 Fe N O2 P S | P 1 21 1 | 10.3729; 11.5112; 15.6134 90; 106.888; 90 | 1783.91 | Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling ACS Catalysis, 2020, 10, 1548-1554 |
4517368 | CIF | C27 H24 F3 N O6 S | P b c a | 13.5499; 15.2341; 24.4346 90; 90; 90 | 5043.8 | Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation ACS Catalysis, 2020, 10, 1454-1459 |
4517369 | CIF | C16 H12 F3 N O4 S | P -1 | 8.4561; 8.5762; 12.4229 110.047; 111.941; 90.1156 | 776.24 | Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation ACS Catalysis, 2020, 10, 1454-1459 |
4517370 | CIF | C29 H29 F4 N O6 S | P -1 | 9.4313; 11.4154; 13.8509 84.332; 74.645; 85.308 | 1428.55 | Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation ACS Catalysis, 2020, 10, 1454-1459 |
4517371 | CIF | C75 H89.83 Co Ga N7 O0 P5 | P -1 | 12.177; 18.604; 20.729 111.648; 101.917; 95.562 | 4192.6 | Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C. Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle ACS Catalysis, 2020, 2459-2470 |
4517372 | CIF | C79 H98 Co In N7 O P5 | P -1 | 12.2163; 18.704; 20.45 112.181; 100.878; 95.913 | 4170.4 | Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C. Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle ACS Catalysis, 2020, 2459-2470 |
4517373 | CIF | C42 H64 Al Co N4 P3 | P 1 21 1 | 12.329; 27.522; 12.652 90; 105.97; 90 | 4127 | Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C. Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle ACS Catalysis, 2020, 2459-2470 |
4517374 | CIF | C82 H132 Co2 Ga2 N8 O P6 | P -1 | 12.4071; 19.343; 19.588 110.472; 97.544; 101.928 | 4201.3 | Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C. Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle ACS Catalysis, 2020, 2459-2470 |
4517382 | CIF | C20 H23 F3 O Si | P 1 21/c 1 | 13.3534; 19.2873; 14.681 90; 94.714; 90 | 3768.32 | Iwamoto, Hiroaki; Hayashi, Yuta; Ozawa, Yu; Ito, Hajime Silyl-Group-Directed Linear-Selective Allylation of Carbonyl Compounds with Trisubstituted Allylboronates Using a Copper(I) Catalyst ACS Catalysis, 2020, 2471 |
4517383 | CIF | C31 H26 Br2 O4 | P 21 21 21 | 9.6286; 10.7523; 25.4679 90; 90; 90 | 2636.68 | Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids ACS Catalysis, 2020, 10, 2596-2602 |
4517384 | CIF | C24 H20 O3 | P -1 | 7.712; 10.915; 12.298 114.959; 99.228; 100.157 | 891.3 | Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids ACS Catalysis, 2020, 10, 2596-2602 |
4517385 | CIF | C53 H42 O2 P2 | P 1 21 1 | 8.89; 21.1643; 11.0358 90; 104.694; 90 | 2008.48 | Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids ACS Catalysis, 2020, 10, 2596-2602 |
4517389 | CIF | C16 H14 N4 O | C 1 2/c 1 | 26.451; 7.875; 13.315 90; 94.256; 90 | 2765.9 | Ohmatsu, Kohsuke; Suzuki, Ryuhei; Furukawa, Yukino; Sato, Makoto; Ooi, Takashi Zwitterionic 1,2,3-Triazolium Amidate as a Catalyst for Photoinduced Hydrogen-Atom Transfer Radical Alkylation ACS Catalysis, 2020, 2627 |
4517390 | CIF | C16 H15 Cl N4 O | C 1 2/c 1 | 12.465; 11.018; 22.209 90; 92.386; 90 | 3048 | Ohmatsu, Kohsuke; Suzuki, Ryuhei; Furukawa, Yukino; Sato, Makoto; Ooi, Takashi Zwitterionic 1,2,3-Triazolium Amidate as a Catalyst for Photoinduced Hydrogen-Atom Transfer Radical Alkylation ACS Catalysis, 2020, 2627 |
4517391 | CIF | C15 H14 Br Mn N2 O3 S | P -1 | 6.62; 7.8565; 17.0496 83.308; 86.928; 73.022 | 842.15 | Jana, Akash; Das, Kuhali; Kundu, Abhishek; Thorve, Pradip Ramdas; Adhikari, Debashis; Maji, Biplab A Phosphine-Free Manganese Catalyst Enables Stereoselective Synthesis of (1 + n)-Membered Cycloalkanes from Methyl Ketones and 1,n-Diols ACS Catalysis, 2020, 2615 |
4517392 | CIF | C14 H12 Br Mn N2 O3 S | P -1 | 7.5394; 9.7257; 11.6722 108.97; 99.234; 101.738 | 768.37 | Jana, Akash; Das, Kuhali; Kundu, Abhishek; Thorve, Pradip Ramdas; Adhikari, Debashis; Maji, Biplab A Phosphine-Free Manganese Catalyst Enables Stereoselective Synthesis of (1 + n)-Membered Cycloalkanes from Methyl Ketones and 1,n-Diols ACS Catalysis, 2020, 2615 |
4517394 | CIF | C24 H25 N O3 S | P 1 21 1 | 14.1788; 8.3217; 17.7545 90; 107.843; 90 | 1994.1 | Chin, Kek Foo; Ye, Xinyi; Li, Yongxin; Lee, Richmond; Kabylda, Adil M.; Leow, Dasheng; Zhang, Xin; Xia Ang, Esther Cai; Tan, Choon-Hong Bisguanidinium-Catalyzed Epoxidation of Allylic and Homoallylic Amines under Phase Transfer Conditions ACS Catalysis, 2020, 2684 |
4517395 | CIF | C100 H138 N8 O13 W2 | P 1 | 10.9657; 14.7551; 16.165 102.59; 97.3713; 101.976 | 2455.5 | Chin, Kek Foo; Ye, Xinyi; Li, Yongxin; Lee, Richmond; Kabylda, Adil M.; Leow, Dasheng; Zhang, Xin; Xia Ang, Esther Cai; Tan, Choon-Hong Bisguanidinium-Catalyzed Epoxidation of Allylic and Homoallylic Amines under Phase Transfer Conditions ACS Catalysis, 2020, 2684 |
4517422 | CIF | C26 H25 F O6 | P 1 21/n 1 | 15.631; 9.89045; 15.9579 90; 113.655; 90 | 2259.77 | Liu, Jian; Vasamsetty, Laxmaiah; Anwar, Muhammad; Yang, Shuang; Xu, Weici; Liu, Jinggong; Nagaraju, Sakkani; Fang, Xinqiang Organocatalyzed Kinetic Resolution of α-Functionalized Ketones: The Malonate Unit Leads the Way ACS Catalysis, 2020, 2882-2893 |
4517423 | CIF | C23 H24 O5 | P -1 | 8.4862; 11.6076; 21.8095 81.344; 79.625; 70.309 | 1980.25 | Liu, Jian; Vasamsetty, Laxmaiah; Anwar, Muhammad; Yang, Shuang; Xu, Weici; Liu, Jinggong; Nagaraju, Sakkani; Fang, Xinqiang Organocatalyzed Kinetic Resolution of α-Functionalized Ketones: The Malonate Unit Leads the Way ACS Catalysis, 2020, 2882-2893 |
4517424 | CIF | C23 H24 O4 | P 1 21 1 | 10.4234; 6.0234; 15.0661 90; 90.369; 90 | 945.895 | Liu, Jian; Vasamsetty, Laxmaiah; Anwar, Muhammad; Yang, Shuang; Xu, Weici; Liu, Jinggong; Nagaraju, Sakkani; Fang, Xinqiang Organocatalyzed Kinetic Resolution of α-Functionalized Ketones: The Malonate Unit Leads the Way ACS Catalysis, 2020, 2882-2893 |
4517425 | CIF | C13 H15 N O2 | P 43 21 2 | 7.97537; 7.97537; 34.7796 90; 90; 90 | 2212.21 | Roque, Jose B.; Kuroda, Yusuke; Jurczyk, Justin; Xu, Li-Ping; Ham, Jin Su; Göttemann, Lucas T.; Roberts, Charis A.; Adpressa, Donovon; Saurí, Josep; Joyce, Leo A.; Musaev, Djamaladdin G.; Yeung, Charles S.; Sarpong, Richmond C‒C Cleavage Approach to C‒H Functionalization of Saturated Aza-Cycles ACS Catalysis, 2020, 2929-2941 |
4517426 | CIF | C13 H15 N O2 | P 41 21 2 | 7.97639; 7.97639; 34.7863 90; 90; 90 | 2213.2 | Roque, Jose B.; Kuroda, Yusuke; Jurczyk, Justin; Xu, Li-Ping; Ham, Jin Su; Göttemann, Lucas T.; Roberts, Charis A.; Adpressa, Donovon; Saurí, Josep; Joyce, Leo A.; Musaev, Djamaladdin G.; Yeung, Charles S.; Sarpong, Richmond C‒C Cleavage Approach to C‒H Functionalization of Saturated Aza-Cycles ACS Catalysis, 2020, 2929-2941 |
4517427 | CIF | C13 H15 N O2 | P 1 21/c 1 | 8.6719; 15.1388; 9.5746 90; 116.469; 90 | 1125.21 | Roque, Jose B.; Kuroda, Yusuke; Jurczyk, Justin; Xu, Li-Ping; Ham, Jin Su; Göttemann, Lucas T.; Roberts, Charis A.; Adpressa, Donovon; Saurí, Josep; Joyce, Leo A.; Musaev, Djamaladdin G.; Yeung, Charles S.; Sarpong, Richmond C‒C Cleavage Approach to C‒H Functionalization of Saturated Aza-Cycles ACS Catalysis, 2020, 2929-2941 |
4517428 | CIF | C105 H64 F45 P5 Ru2 | P -1 | 14.853; 18.958; 22.386 105.048; 92.216; 95.751 | 6043 | Estes, Deven P.; Leutzsch, Markus; Schubert, Lukas; Bordet, Alexis; Leitner, Walter Effect of Ligand Electronics on the Reversible Catalytic Hydrogenation of CO2 to Formic Acid Using Ruthenium Polyhydride Complexes: A Thermodynamic and Kinetic Study ACS Catalysis, 2020, 2990-2998 |
4517429 | CIF | C20 H17 Br N O | P 1 21 1 | 5.166; 13.624; 24.035 90; 95.88; 90 | 1682.72 | Lemay, Jean-Christian; Dong, Yi; Albert, Vincent; Inouye, Monica; Groves, Michael N.; Boukouvalas, John; McBreen, Peter H. Relative Abundances of Surface Diastereomeric Complexes Formed by Two Chiral Modifiers That Differ by a Methyl Group ACS Catalysis, 2020, 3034-3041 |
4517431 | CIF | C37 H51 Cl F3 N7 O3 S Zn | P 1 21/c 1 | 12.4934; 24.7612; 13.0442 90; 95.7511; 90 | 4014.93 | Drummond, Michael J.; Miller, Tabitha J.; Ford, Courtney L.; Fout, Alison R. Catalytic Perchlorate Reduction Using Iron: Mechanistic Insights and Improved Catalyst Turnover ACS Catalysis, 2020, 3175-3182 |
4517435 | CIF | C94 H88 B Br2 Co F24 N6 O8 S2 | P 21 21 21 | 18.4403; 25.068; 25.5947 90; 90; 90 | 11831.4 | Kabes, Connor Q.; Maximuck, William J.; Ghosh, Subrata K.; Kumar, Anil; Bhuvanesh, Nattamai; Gladysz, John A. Chiral Tricationic Tris(1,2-diphenylethylenediamine) Cobalt(III) Hydrogen Bond Donor Catalysts with Defined Carbon/Metal Configurations; Matched/Mismatched Effects upon Enantioselectivities with Enantiomeric Chiral Counter Anions ACS Catalysis, 2020, 3249-3263 |
4517436 | CIF | C18 H23 B F3 N O4 | P 21 21 21 | 6.2697; 10.8812; 27.9823 90; 90; 90 | 1909 | Fan, Dongyang; Zhang, Jian; Hu, Yanhua; Zhang, Zhenfeng; Gridnev, Ilya D.; Zhang, Wanbin Asymmetric Hydrogenation of α-Boryl Enamides Enabled by Nonbonding Interactions ACS Catalysis, 2020, 3232-3240 |
4517437 | CIF | C14 H15 N O S | P 1 21 1 | 8.3309; 6.6556; 10.916 90; 96.337; 90 | 601.6 | Kim, Alexia N.; Ngamnithiporn, Aurapat; Welin, Eric R.; Daiger, Martin T.; Grünanger, Christian U.; Bartberger, Michael D.; Virgil, Scott C.; Stoltz, Brian M. Iridium-Catalyzed Enantioselective and Diastereoselective Hydrogenation of 1,3-Disubstituted Isoquinolines ACS Catalysis, 2020, 3241-3248 |
4517439 | CIF | C19 H14 O3 | P 1 21/n 1 | 11.3197; 15.6008; 16.353 90; 102.492; 90 | 2819.51 | Rajesh, U. Chinna; Losovyj, Yaroslav; Chen, Chun-Hsing; Zaleski, Jeffrey M. Designing Synergistic Nanocatalysts for Multiple Substrate Activation: Interlattice Ag‒Fe3O4 Hybrid Materials for CO2-Inserted Lactones ACS Catalysis, 2020, 3349-3359 |
4517446 | CIF | C56 H99 B3 Ir N2 O7 Si2 | P -1 | 14.4073; 14.9016; 16.512 104.953; 111.191; 99.539 | 3058.53 | Larsen, Matthew A.; Oeschger, Raphael J.; Hartwig, John F. Effect of Ligand Structure on the Electron Density and Activity of Iridium Catalysts for the Borylation of Alkanes ACS Catalysis, 2020, 3415-3424 |
4517447 | CIF | C43 H48 Cl2 N6 O12 Pd2 S2 | P -1 | 10.69; 11.3617; 11.7062 62.2925; 85.46; 73.2316 | 1202.7 | Cendón, Borja; Font, Marc; Mascareñas, José L.; Gul\?ías, Moisés Palladium-Catalyzed Formal (4+2) Cycloaddition between Alkyl Amides and Dienes Initiated by the Activation of C(sp3)‒H Bonds ACS Catalysis, 2020, 3425-3430 |
4517448 | CIF | C21 H22 N2 O5 S | C 1 2/c 1 | 22.973; 6.9135; 25.839 90; 106.258; 90 | 3939.7 | Cendón, Borja; Font, Marc; Mascareñas, José L.; Gul\?ías, Moisés Palladium-Catalyzed Formal (4+2) Cycloaddition between Alkyl Amides and Dienes Initiated by the Activation of C(sp3)‒H Bonds ACS Catalysis, 2020, 3425-3430 |
4517449 | CIF | C21 H22 N4 O5 Pd S | P -1 | 6.5642; 18.183; 18.879 89.513; 86.524; 85.366 | 2241.8 | Cendón, Borja; Font, Marc; Mascareñas, José L.; Gul\?ías, Moisés Palladium-Catalyzed Formal (4+2) Cycloaddition between Alkyl Amides and Dienes Initiated by the Activation of C(sp3)‒H Bonds ACS Catalysis, 2020, 3425-3430 |
4517450 | CIF | C25 H25 Cl2 N3 O Pd | P -1 | 9.0308; 11.8072; 11.9867 97.855; 105.716; 105.33 | 1156.3 | Cendón, Borja; Font, Marc; Mascareñas, José L.; Gul\?ías, Moisés Palladium-Catalyzed Formal (4+2) Cycloaddition between Alkyl Amides and Dienes Initiated by the Activation of C(sp3)‒H Bonds ACS Catalysis, 2020, 3425-3430 |
4517455 | CIF | C15 H15 Br O4 | P 21 21 21 | 10.2207; 11.4378; 12.3943 90; 90; 90 | 1448.9 | Chen, Jun-Bo; Xu, Man; Zhang, Jun-Qi; Sun, Bing-Bing; Hu, Jia-Ming; Yu, Jie-Qiang; Wang, Xing-Wang; Xia, Yuanzhi; Wang, Zheng Modular Chiral Bisoxalamide‒Copper-Catalyzed Asymmetric Oxo-Diels‒Alder Reaction: Carbonyl Coordination for High Enantio- and Diastereocontrols ACS Catalysis, 2020, 3556 |
4517456 | CIF | C61 H86 Cl2 N8 O8 | P 1 21 1 | 12.5285; 16.597; 14.9439 90; 93.876; 90 | 3100.26 | Chen, Jun-Bo; Xu, Man; Zhang, Jun-Qi; Sun, Bing-Bing; Hu, Jia-Ming; Yu, Jie-Qiang; Wang, Xing-Wang; Xia, Yuanzhi; Wang, Zheng Modular Chiral Bisoxalamide‒Copper-Catalyzed Asymmetric Oxo-Diels‒Alder Reaction: Carbonyl Coordination for High Enantio- and Diastereocontrols ACS Catalysis, 2020, 3556 |
4517457 | CIF | C20 H26 | P 1 21/c 1 | 21.059; 5.9199; 13.2305 90; 99.636; 90 | 1626.1 | Mato, Mauro; García-Morales, Cristina; Echavarren, Antonio M. Synthesis of Trienes by Rhodium-Catalyzed Assembly and Disassembly of Non-Acceptor Cyclopropanes ACS Catalysis, 2020, 3564 |
4517458 | CIF | C24 H25 N O4 | P 1 21 1 | 25.487; 9.845; 26.272 90; 110.11; 90 | 6190 | Feng, Jiaxu; Huang, You Phosphine-Catalyzed Remote 1,7-Addition for Synthesis of Diene Carboxylates ACS Catalysis, 2020, 3541 |
4517459 | CIF | C22 H23 N O5 | P 1 21/c 1 | 13.199; 17.845; 8.5547 90; 98.41; 90 | 1993.3 | Feng, Jiaxu; Huang, You Phosphine-Catalyzed Remote 1,7-Addition for Synthesis of Diene Carboxylates ACS Catalysis, 2020, 3541 |
4517461 | CIF | C24 H17 F2 N O2 | P -1 | 9.3619; 10.2474; 11.0622 73.881; 65.949; 83.137 | 931 | Luo, Kaixiu; Mao, Shuai; He, Kun; Yu, Xianglin; Pan, Junhong; Lin, Jun; Shao, Zhihui; Jin, Yi Highly Regioselective Synthesis of Multisubstituted Pyrroles via Ag-Catalyzed [4+1C]insert Cascade ACS Catalysis, 2020, 3733 |
4517462 | CIF | C24 H21 N O3 | P 1 21/c 1 | 17.623; 8.753; 12.749 90; 99.38; 90 | 1940.3 | Luo, Kaixiu; Mao, Shuai; He, Kun; Yu, Xianglin; Pan, Junhong; Lin, Jun; Shao, Zhihui; Jin, Yi Highly Regioselective Synthesis of Multisubstituted Pyrroles via Ag-Catalyzed [4+1C]insert Cascade ACS Catalysis, 2020, 3733 |
4517476 | CIF | C23 H33 Br O | P 1 21/c 1 | 15.7036; 13.5822; 9.9735 90; 97.264; 90 | 2110.2 | Takahashi, Toshifumi; Kurahashi, Takuya; Matsubara, Seijiro Nickel-Catalyzed Intermolecular Carbobromination of Alkynes ACS Catalysis, 2020, 10, 3773-3777 |
4517477 | CIF | C20 H21 Br O | P -1 | 9.0497; 11.0964; 17.4034 80.749; 86.494; 89.645 | 1721.66 | Takahashi, Toshifumi; Kurahashi, Takuya; Matsubara, Seijiro Nickel-Catalyzed Intermolecular Carbobromination of Alkynes ACS Catalysis, 2020, 10, 3773-3777 |
4517478 | CIF | C93 H27 F30 Fe2 N13 | P -1 | 14.7609; 16.1284; 20.1218 73.575; 89.177; 66.103 | 4173.5 | Sinha, Woormileela; Mahammed, Atif; Fridman, Natalia; Gross, Zeev Water Oxidation Catalysis by Mono- and Binuclear Iron Corroles ACS Catalysis, 2020, 3764 |
4517479 | CIF | C51 H27 Co F6 N6 | C 1 2/c 1 | 36.007; 12.107; 18.503 90; 90.893; 90 | 8065 | Sinha, Woormileela; Mahammed, Atif; Fridman, Natalia; Gross, Zeev Water Oxidation Catalysis by Mono- and Binuclear Iron Corroles ACS Catalysis, 2020, 3764 |
4517480 | CIF | C156 H92 Fe4 N16 O2 | P -1 | 15.257; 17.202; 25.355 83.153; 79.357; 71.301 | 6181.9 | Sinha, Woormileela; Mahammed, Atif; Fridman, Natalia; Gross, Zeev Water Oxidation Catalysis by Mono- and Binuclear Iron Corroles ACS Catalysis, 2020, 3764 |
4517481 | CIF | C21 H24 N4 O | P -1 | 9.6626; 10.1376; 11.1294 97.909; 105.084; 114.113 | 923.2 | Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai Alkynyl Triazenes as Fluoroalkyne Surrogates: Regioselective Access to 4-Fluoro-2-pyridones by a Rh(III)-Catalyzed C‒H Activation‒Lossen Rearrangement‒Wallach Reaction ACS Catalysis, 2020, 10, 3790-3796 |
4517482 | CIF | C18 H14 F N O | P -1 | 10.2367; 11.4102; 13.7829 109.851; 92.169; 112.466 | 1373.04 | Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai Alkynyl Triazenes as Fluoroalkyne Surrogates: Regioselective Access to 4-Fluoro-2-pyridones by a Rh(III)-Catalyzed C‒H Activation‒Lossen Rearrangement‒Wallach Reaction ACS Catalysis, 2020, 10, 3790-3796 |
4517483 | CIF | C61 H58 Co O5 P3 | P 1 21/n 1 | 15.294; 15.9747; 22.8893 90; 109.52; 90 | 5270.8 | Chen, Jia-Feng; Li, Changkun Cobalt-Catalyzed gem-Cross-Dimerization of Terminal Alkynes ACS Catalysis, 2020, 3881 |
4517484 | CIF | C57 H43 Co O6 P3 | P 21 21 21 | 11.1714; 19.5049; 22.2984 90; 90; 90 | 4858.8 | Chen, Jia-Feng; Li, Changkun Cobalt-Catalyzed gem-Cross-Dimerization of Terminal Alkynes ACS Catalysis, 2020, 3881 |
4517495 | CIF | C27 H34 O3 | P 21 21 21 | 7.447; 14.6245; 19.8929 90; 90; 90 | 2166.51 | Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles ACS Catalysis, 2020, 10, 3895-3903 |
4517496 | CIF | C39 H54 O5 | C 1 2 1 | 12.2802; 7.2838; 37.4807 90; 90.803; 90 | 3352.2 | Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles ACS Catalysis, 2020, 10, 3895-3903 |
4517497 | CIF | C22 H32 O4 | P 1 21 1 | 5.9236; 13.586; 12.496 90; 100.7; 90 | 988.2 | Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles ACS Catalysis, 2020, 10, 3895-3903 |
4517502 | CIF | C20 H37 Cl3 N P Pd | C 1 2/c 1 | 17.846; 15.0741; 18.2288 90; 94.492; 90 | 4888.71 | Hu, Huaiyuan; Gilliam, Ashley M.; Qu, Fengrui; Shaughnessy, Kevin H. Enolizable Ketones as Activators of Palladium(II) Precatalysts in Amine Arylation Reactions ACS Catalysis, 2020, 10, 4127-4135 |
4517513 | CIF | C86 H64 B Co F24 P4 | P 1 21/c 1 | 16.6366; 12.7954; 37.4749 90; 101.172; 90 | 7826.2 | Gray, Montgomery; Hines, Michael T.; Parsutkar, Mahesh M.; Wahlstrom, A. J.; Brunelli, Nicholas A.; RajanBabu, T. V. Mechanism of Cobalt-Catalyzed Heterodimerization of Acrylates and 1,3-Dienes. A Potential Role of Cationic Cobalt(I) Intermediates ACS Catalysis, 2020, 10, 4337-4348 |
4517514 | CIF | C58 H60 Br3 Co O P4 Zn | P 1 21/c 1 | 14.1589; 17.0352; 24.3773 90; 100.025; 90 | 5790 | Gray, Montgomery; Hines, Michael T.; Parsutkar, Mahesh M.; Wahlstrom, A. J.; Brunelli, Nicholas A.; RajanBabu, T. V. Mechanism of Cobalt-Catalyzed Heterodimerization of Acrylates and 1,3-Dienes. A Potential Role of Cationic Cobalt(I) Intermediates ACS Catalysis, 2020, 10, 4337-4348 |
4517519 | CIF | C21 H18 N2 O | P 1 21/c 1 | 10.2077; 19.7705; 8.1575 90; 97.395; 90 | 1632.58 | Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts ACS Catalysis, 2020, 10, 4444-4450 |
4517520 | CIF | C22 H20 N2 O | P -1 | 9.0581; 9.9273; 10.2645 105.947; 96.819; 97.151 | 869.2 | Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts ACS Catalysis, 2020, 10, 4444-4450 |
4517521 | CIF | C25 H20 N2 O | P -1 | 8.7963; 10.354; 11.5419 110.43; 100.373; 101.27 | 930.16 | Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts ACS Catalysis, 2020, 10, 4444-4450 |
4517522 | CIF | C39 H45 F3 N2 O5 P Rh S | P 1 21 1 | 10.0207; 19.056; 10.3059 90; 105.173; 90 | 1899.4 | Xu, Wen-Bin; Ghorai, Samir; Huang, Wenyu; Li, Changkun Rh(I)/Bisoxazolinephosphine-Catalyzed Regio- and Enantioselective Allylic Substitutions ACS Catalysis, 2020, 4491-4496 |
4517523 | CIF | C35 H40 Cl F3 N2 O5 P Rh S | P 43 21 2 | 10.9434; 10.9434; 60.442 90; 90; 90 | 7238.4 | Xu, Wen-Bin; Ghorai, Samir; Huang, Wenyu; Li, Changkun Rh(I)/Bisoxazolinephosphine-Catalyzed Regio- and Enantioselective Allylic Substitutions ACS Catalysis, 2020, 4491-4496 |
4517527 | CIF | C25 H19 F5 N2 | P 1 21 1 | 8.43; 11.6177; 10.918 90; 108.357; 90 | 1014.87 | Li, Jiuling; Zhang, Dan; Chen, Jianghui; Ma, Chaoqun; Hu, Wenhao Enantioselective Synthesis of Fluoroalkyl-Substituted syn-Diamines by the Asymmetric gem-Difunctionalization of 2,2,2-Trifluorodiazoethane ACS Catalysis, 2020, 4559-4565 |
4517528 | CIF | C42 H64 N Ni P2 | P 1 21/c 1 | 11.8848; 19.0951; 17.618 90; 105.834; 90 | 3846.55 | Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study ACS Catalysis, 2020, 4630-4639 |
4517529 | CIF | C40 H64 Ni P2 S | P 1 21/n 1 | 11.7655; 14.098; 22.4255 90; 93.047; 90 | 3714.46 | Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study ACS Catalysis, 2020, 4630-4639 |
4517530 | CIF | C52 H96 Ni P4 | P -1 | 12.7568; 12.7744; 17.1688 73.619; 89.592; 75.811 | 2596.58 | Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study ACS Catalysis, 2020, 4630-4639 |
4517531 | CIF | C33 H56 Br2 Ni P2 | P 1 21/c 1 | 12.2203; 18.687; 15.2866 90; 99.052; 90 | 3447.38 | Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study ACS Catalysis, 2020, 4630-4639 |
4517532 | CIF | C13 H13 N O2 S | P 1 21/n 1 | 14.4888; 5.6004; 15.206 90; 109.454; 90 | 1163.42 | Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study ACS Catalysis, 2020, 4630-4639 |
4517533 | CIF | C36 H61 Br Ni O P2 | P 1 21/n 1 | 10.5652; 22.4696; 15.3099 90; 105.292; 90 | 3505.82 | Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study ACS Catalysis, 2020, 4630-4639 |
4517534 | CIF | C14 H19 N | P 1 21/c 1 | 10.6205; 8.92; 11.9761 90; 97.617; 90 | 1124.54 | Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study ACS Catalysis, 2020, 4630-4639 |
4517536 | CIF | C22 H19 Br F3 N2 Ni | P -1 | 9.3825; 10.3799; 11.1183 76.894; 89.918; 73.255 | 1007.51 | Rand, Alexander W.; Yin, Hongfei; Xu, Liang; Giacoboni, Jessica; Martin-Montero, Raul; Romano, Ciro; Montgomery, John; Martin, Ruben Dual Catalytic Platform for Enabling sp3 α C‒H Arylation and Alkylation of Benzamides ACS Catalysis, 2020, 4671 |
4517537 | CIF | C22 H34 B2 O2 | P 1 21/c 1 | 15.0776; 6.6335; 21.5511 90; 102.6; 90 | 2103.57 | Docherty, Jamie H.; Nicholson, Kieran; Dominey, Andrew P.; Thomas, Stephen P. A Boron‒Boron Double Transborylation Strategy for the Synthesis of gem-Diborylalkanes ACS Catalysis, 2020, 4686 |
4517546 | CIF | C84 H184 N3 O37 Sb Si3 Ti W9 | P 1 21/n 1 | 17.7721; 28.9182; 23.5633 90; 90.112; 90 | 12110 | Solé-Daura, Albert; Zhang, Teng; Fouilloux, Hugo; Robert, Carine; Thomas, Christophe M.; Chamoreau, Lise-Marie; Carbó, Jorge J.; Proust, Anna; Guillemot, Geoffroy; Poblet, Josep M. Catalyst Design for Alkene Epoxidation by Molecular Analogues of Heterogeneous Titanium-Silicalite Catalysts ACS Catalysis, 2020, 4737 |
4517547 | CIF | C17 H22 O2 | P 1 21 1 | 15.249; 6.1775; 16.2653 90; 113.939; 90 | 1400.4 | Dai, Zhen-Yao; Nong, Zhong-Sheng; Wang, Pu-Sheng Light-Mediated Asymmetric Aliphatic C‒H Alkylation with Hydrogen Atom Transfer Catalyst and Chiral Phosphoric Acid ACS Catalysis, 2020, 10, 4786-4790 |
4517552 | CIF | C37 H43 Cl4 N3 O Ru S | P 1 21/n 1 | 10.081; 26.6065; 14.0765 90; 105.018; 90 | 3646.6 | Segalovich-Gerendash, Gal; Rozenberg, Illya; Alassad, Nebal; Nechmad, Noy B.; Goldberg, Israel; Kozuch, Sebastian; Lemcoff, N. Gabriel Imposing Latency in Ruthenium Sulfoxide-Chelated Benzylidenes: Expanding Opportunities for Thermal and Photoactivation in Olefin Metathesis ACS Catalysis, 2020, 4827 |
4517553 | CIF | C42.65 H53 Ag Cl5.29 I N6 O8.35 S | P 1 21/n 1 | 12.4359; 16.0865; 26.638 90; 98.824; 90 | 5265.9 | Elkoush, Tasneem; Mak, Choi L.; Paley, Daniel W.; Campbell, Michael G. Silver(II) and Silver(III) Intermediates in Alkene Aziridination with a Dinuclear Silver(I) Nitrene Transfer Catalyst ACS Catalysis, 2020, 4820 |
4517554 | CIF | C40 H47 Ag Cl2 N5 O8 S2 | P c a 21 | 20.4684; 13.4202; 15.4089 90; 90; 90 | 4232.67 | Elkoush, Tasneem; Mak, Choi L.; Paley, Daniel W.; Campbell, Michael G. Silver(II) and Silver(III) Intermediates in Alkene Aziridination with a Dinuclear Silver(I) Nitrene Transfer Catalyst ACS Catalysis, 2020, 4820 |
4517568 | CIF | C17 H14 Cl I N2 O2 | A e a 2 | 31.3169; 13.0613; 7.9634 90; 90; 90 | 3257.34 | Sun, Han-Li; Yang, Fan; Ye, Wei-Ting; Wang, Jun-Jie; Zhu, Rong Dual Cobalt and Photoredox Catalysis Enabled Intermolecular Oxidative Hydrofunctionalization ACS Catalysis, 2020, 10, 4983-4989 |
4517571 | CIF | C22 H26 Cl Ir N2 O | P 1 21/n 1 | 8.0634; 19.6046; 12.6297 90; 93.722; 90 | 1992.29 | Mahato, Sanjit K.; Chatani, Naoto The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle ACS Catalysis, 2020, 10, 5173-5178 |
4517572 | CIF | C23 H32 N2 O2 Si | P 1 21/c 1 | 20.4075; 8.0569; 14.2212 90; 103.892; 90 | 2269.87 | Mahato, Sanjit K.; Chatani, Naoto The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle ACS Catalysis, 2020, 10, 5173-5178 |
4517573 | CIF | C27 H36 N2 O3 S Si | P -1 | 8.2563; 8.5661; 19.6108 78.098; 89.653; 71.445 | 1283.94 | Mahato, Sanjit K.; Chatani, Naoto The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle ACS Catalysis, 2020, 10, 5173-5178 |
4517574 | CIF | C65 H59 B Cl F24 Ir N2 O Si | I 1 2/a 1 | 43.3006; 12.9147; 24.7725 90; 103.997; 90 | 13441.8 | Mahato, Sanjit K.; Chatani, Naoto The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle ACS Catalysis, 2020, 10, 5173-5178 |
4517575 | CIF | C23 H28 Cl Ir N2 O | P 1 21/c 1 | 20.6873; 7.8511; 26.1279 90; 98.161; 90 | 4200.7 | Mahato, Sanjit K.; Chatani, Naoto The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle ACS Catalysis, 2020, 10, 5173-5178 |
4517576 | CIF | C18 H14 N2 O5 | P -1 | 7.4602; 7.7802; 14.1269 92.011; 102.586; 97.486 | 791.72 | Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines ACS Catalysis, 2020, 10, 5023-5029 |
4517577 | CIF | C12 H9 Br Cl3 N O2 | P 1 21/n 1 | 11.9493; 6.9494; 17.493 90; 104.384; 90 | 1407.1 | Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines ACS Catalysis, 2020, 10, 5023-5029 |
4517578 | CIF | C17 H14 N2 O3 | P 1 21/c 1 | 7.5628; 16.969; 11.191 90; 105.563; 90 | 1383.5 | Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines ACS Catalysis, 2020, 10, 5023-5029 |
4517579 | CIF | C16 H11 Cl N2 O3 | P 1 21/c 1 | 7.4538; 16.3766; 12.0863 90; 106.556; 90 | 1414.18 | Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines ACS Catalysis, 2020, 10, 5023-5029 |
4517580 | CIF | C23 H19 Br N2 | P -1 | 8.6223; 10.073; 11.48 85; 71.73; 76.75 | 921.5 | Tan, Zhenda; Ci, Chenggang; Yang, Jian; Wu, Yang; Cao, Liang; Jiang, Huanfeng; Zhang, Min Catalytic Conversion of N-Heteroaromatics to Functionalized Arylamines by Merging Hydrogen Transfer and Selective Coupling ACS Catalysis, 2020, 5243 |
4517581 | CIF | C23 H20 N2 | P -1 | 7.4417; 9.5742; 13.391 74.82; 87.16; 74.55 | 887.3 | Tan, Zhenda; Ci, Chenggang; Yang, Jian; Wu, Yang; Cao, Liang; Jiang, Huanfeng; Zhang, Min Catalytic Conversion of N-Heteroaromatics to Functionalized Arylamines by Merging Hydrogen Transfer and Selective Coupling ACS Catalysis, 2020, 5243 |
4517582 | CIF | C31 H46 Au B F4 N2 | P 1 21/c 1 | 11.029; 13.8947; 23.635 90; 102.05; 90 | 3542.1 | Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes ACS Catalysis, 2020, 5190 |
4517583 | CIF | C16 H18 N2 O2 S | P 1 21/n 1 | 5.2585; 15.779; 18.526 90; 95.843; 90 | 1529.2 | Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes ACS Catalysis, 2020, 5190 |
4517584 | CIF | C62 H47 Au B F20 N | P -1 | 15.2805; 18.4692; 20.3195 78.445; 80.937; 82.219 | 5516.1 | Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes ACS Catalysis, 2020, 5190 |
4517585 | CIF | C56 H78 Au B F4 N2 | C 1 c 1 | 17.9392; 18.2892; 17.3878 90; 118.402; 90 | 5018.1 | Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes ACS Catalysis, 2020, 5190 |
4517598 | CIF | C23 H28 N2 O2 S | P 1 | 7.7639; 9.7745; 16.044 90.123; 96.248; 112.826 | 1114.2 | Rigotti, Thomas; Mas-Ballesté, Rubén; Alemán, José Enantioselective Aminocatalytic [2 + 2] Cycloaddition through Visible Light Excitation ACS Catalysis, 2020, 10, 5335-5346 |
4517604 | CIF | C26 H39 Au Cl P | P 1 21/n 1 | 10.0412; 15.8623; 15.2487 90; 91.963; 90 | 2427.33 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
4517605 | CIF | C13 H28 F3 O3 P S | P 1 21/n 1 | 8.8317; 22.6453; 9.2451 90; 106.967; 90 | 1768.51 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
4517606 | CIF | C31 H52 F3 O3 P S | P 21 21 21 | 7.362; 16.8285; 25.1572 90; 90; 90 | 3116.76 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
4517607 | CIF | C15 H28 F3 O3 P S | P 1 21/n 1 | 9.5; 10.6274; 18.6029 90; 100.595; 90 | 1846.13 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
4517608 | CIF | C32 H39 Au Cl P | P 1 21/c 1 | 11.9313; 15.6446; 15.2881 90; 109.268; 90 | 2693.84 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
4517609 | CIF | C34 H39 P | P -1 | 10.1139; 12.6246; 13.5249 111.882; 109.918; 96.579 | 1447.74 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
4517610 | CIF | C30 H47 Au Cl P | P 1 21/c 1 | 10.66; 11.355; 23.7632 90; 100.803; 90 | 2825.42 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
4517611 | CIF | C21 H32 F3 O3 P S | P 1 21/c 1 | 11.1508; 18.5177; 21.1099 90; 100.488; 90 | 4286.1 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
4517612 | CIF | C24 H31.22 Au Cl O0.11 P | P 1 21/n 1 | 8.7107; 9.9662; 25.5485 90; 96.659; 90 | 2202.97 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
4517613 | CIF | C40.9 H35.8 Cl1.8 F3 O3 P S | P 1 21/c 1 | 11.5515; 18.5889; 17.7571 90; 99.907; 90 | 3756.12 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
4517614 | CIF | C47 H68 Au2 Cl2 P2 | P -1 | 10.0872; 14.0744; 16.7016 78.85; 81.86; 78.924 | 2269.59 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
4517615 | CIF | C24 H35 Au Cl P | P 1 21/n 1 | 10.0134; 14.7285; 15.0955 90; 92.029; 90 | 2224.92 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
4517616 | CIF | C11 H24 F3 O3 P S | P 1 21/n 1 | 17.478; 10.4898; 17.7113 90; 99.9348; 90 | 3198.51 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
4517617 | CIF | C26 H35 Au Cl P | P 1 21/n 1 | 10.7821; 20.369; 11.1066 90; 106.794; 90 | 2335.2 | Barber, Thomas; Argent, Stephen P.; Ball, Liam T. Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates ACS Catalysis, 2020, 5454-5461 |
4517618 | CIF | C33 H46 N3 O2 P Ru | P 1 21/n 1 | 19.023; 8.5687; 21.327 90; 113.37; 90 | 3191.2 | Kar, Sayan; Rauch, Michael; Kumar, Amit; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David Selective Room-Temperature Hydrogenation of Amides to Amines and Alcohols Catalyzed by a Ruthenium Pincer Complex and Mechanistic Insight ACS Catalysis, 2020, 5511-5515 |
4517624 | CIF | C19 H17 N O5 S | P 1 21 1 | 7.9914; 19.2773; 12.1358 90; 90.712; 90 | 1869.41 | Zhang, Hongkui; Jiang, Chunhui; Tan, Jian-Ping; Hu, Hui-Lin; Chen, Yayun; Ren, Xiaoyu; Zhang, Hong-Su; Wang, Tianli Highly Enantioselective Construction of Fully Substituted Stereocenters Enabled by In Situ Phosphonium-Containing Organocatalysis ACS Catalysis, 2020, 5698-5706 |
4517639 | CIF | C20 H32 | P 21 21 2 | 13.5688; 11.1801; 11.1208 90; 90; 90 | 1687 | Li, Zhong; Jiang, Yuanyuan; Zhang, Xingwang; Chang, Yimin; Li, Shuai; Zhang, Xiaomin; Zheng, Shanmin; Geng, Ce; Men, Ping; Ma, Li; Yang, Ying; Gao, Zhengquan; Tang, Ya-Jie; Li, Shengying Fragrant Venezuelaenes A and B with A 5‒5‒6‒7 Tetracyclic Skeleton: Discovery, Biosynthesis, and Mechanisms of Central Catalysts ACS Catalysis, 2020, 10, 5846-5851 |
4517640 | CIF | C19 H18 Br N O | P 1 21 1 | 6.6642; 7.7286; 15.5866 90; 95.532; 90 | 799.05 | Jadhav, Prakash D.; Chen, Jia-Xuan; Liu, Rai-Shung Gold(I)-Catalyzed Highly Enantioselective [4 + 2]-Annulations of Cyclopentadienes with Nitrosoarenes via Nitroso-Povarov versus Oxidative Nitroso-Povarov Reactions ACS Catalysis, 2020, 5840 |
4517641 | CIF | C19 H16 Br N O2 | P 1 21 1 | 6.4745; 6.9054; 18.0777 90; 99.293; 90 | 797.63 | Jadhav, Prakash D.; Chen, Jia-Xuan; Liu, Rai-Shung Gold(I)-Catalyzed Highly Enantioselective [4 + 2]-Annulations of Cyclopentadienes with Nitrosoarenes via Nitroso-Povarov versus Oxidative Nitroso-Povarov Reactions ACS Catalysis, 2020, 5840 |
4517672 | CIF | C67 H105 Fe2 N5 | P 1 21/c 1 | 13.7862; 21.4855; 21.9569 90; 94.382; 90 | 6484.7 | Gasperini, Danila; King, Andrew K.; Coles, Nathan T.; Mahon, Mary F.; Webster, Ruth L. Seeking Heteroatom-Rich Compounds: Synthetic and Mechanistic Studies into Iron Catalyzed Dehydrocoupling of Silanes ACS Catalysis, 2020, 6102-6112 |
4517677 | CIF | C22 H20 O | P 1 21 1 | 11.20707; 5.82419; 12.84587 90; 104.996; 90 | 809.923 | Lee, Maizie; Ren, Zhi; Musaev, Djamaladdin G.; Davies, Huw M. L. Rhodium-Stabilized Diarylcarbenes Behaving as Donor/Acceptor Carbenes ACS Catalysis, 2020, 6240-6247 |
4517678 | CIF | C21 H18 | P 21 21 21 | 5.76988; 11.91662; 21.9056 90; 90; 90 | 1506.17 | Lee, Maizie; Ren, Zhi; Musaev, Djamaladdin G.; Davies, Huw M. L. Rhodium-Stabilized Diarylcarbenes Behaving as Donor/Acceptor Carbenes ACS Catalysis, 2020, 6240-6247 |
4517689 | CIF | C66 H50 B F24 Ir P2 | P -1 | 14.47472; 19.26; 23.9417 107.115; 90.4073; 98.3956 | 6301.75 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
4517690 | CIF | C58 H51 B F24 Ir O0.5 P2 | P 1 21 1 | 12.17636; 38.6268; 12.77708 90; 100.256; 90 | 5913.47 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
4517691 | CIF | C88 H78 B F24 Ir P2 | P -1 | 12.9847; 16.3076; 19.9591 95.5387; 104.592; 92.1533 | 4062.5 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
4517692 | CIF | C88 H60 B F42 Ir P2 | P 1 21/c 1 | 13.0737; 23.7759; 28.1916 90; 99.78; 90 | 8635.7 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
4517693 | CIF | C89 H44 B Cl2 F60 Ir P2 | P 1 21/c 1 | 18.33896; 13.16861; 38.4041 90; 91.6412; 90 | 9270.73 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
4517694 | CIF | C25 H44 O2 | P 21 21 2 | 42.4084; 13.6051; 7.6568 90; 90; 90 | 4417.75 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
4517695 | CIF | C42 H64 O3 Si | P 1 21 1 | 12.55791; 11.2147; 14.01011 90; 107.532; 90 | 1881.44 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
4517696 | CIF | C25 H44 O3 | P 1 21 1 | 12.21766; 7.39922; 12.74257 90; 95.6028; 90 | 1146.44 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
4517697 | CIF | C24 H42 O2 | I 1 2 1 | 7.6128; 9.7121; 87.346 90; 90.272; 90 | 6458 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
4517698 | CIF | C20 H28 O2 | P 21 21 21 | 7.7735; 12.2996; 16.9155 90; 90; 90 | 1617.31 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
4517699 | CIF | C42 H49 Ir P2 Si | P 1 21/n 1 | 11.88006; 21.74657; 14.12314 90; 97.1277; 90 | 3620.52 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
4517700 | CIF | C48 H23 F36 Ir P2 | P -1 | 12.3828; 15.2107; 16.6665 64.281; 83.752; 70.114 | 2656.74 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
4517701 | CIF | C54 H37 F36 Ir P2 Si | P -1 | 13.9408; 14.1616; 16.2996 102.527; 94.566; 101.595 | 3051.57 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
4517702 | CIF | C24 H18 F9 P | P -1 | 9.2013; 11.6473; 12.4438 62.798; 76.382; 76.134 | 1139.24 | Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis, 2020, 6450-6456 |
4517706 | CIF | C31 H61 In N2 O Si2 | P 1 21/c 1 | 14.5173; 22.1551; 11.8658 90; 106.121; 90 | 3666.4 | Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition ACS Catalysis, 2020, 6488-6496 |
4517707 | CIF | C31 H59 In N2 O Si2 | P 1 21/n 1 | 16.279; 23.517; 37.715 90; 97.103; 90 | 14328 | Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition ACS Catalysis, 2020, 6488-6496 |
4517708 | CIF | C111 H120 B2 F40 In2 N4 O3 Si2 | P -1 | 13.921; 16.027; 26.415 91.032; 101.549; 91.773 | 5769.7 | Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition ACS Catalysis, 2020, 6488-6496 |
4517709 | CIF | C31 H60 F6 In N2 O2 P Si | P 43 21 2 | 14.75; 14.75; 35.67 90; 90; 90 | 7760 | Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition ACS Catalysis, 2020, 6488-6496 |
4517710 | CIF | C62 H64 B F20 In N2 O2 Si | P 1 21/c 1 | 14.6691; 25.0259; 17.6496 90; 106.494; 90 | 6212.7 | Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition ACS Catalysis, 2020, 6488-6496 |
4517711 | CIF | C23 H42 Cl Ir N P2 S | P b c a | 12.2672; 15.04; 28.7115 90; 90; 90 | 5297.23 | Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects ACS Catalysis, 2020, 6475-6487 |
4517712 | CIF | C21 H36 Ir N O2 P2 | C 1 2/c 1 | 36.27; 7.8548; 36.2929 90; 113.602; 90 | 9474.7 | Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects ACS Catalysis, 2020, 6475-6487 |
4517713 | CIF | C21 H35 Ir O P2 | P -1 | 11.336; 14.13; 14.921 78.309; 82.053; 89.309 | 2317.6 | Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects ACS Catalysis, 2020, 6475-6487 |
4517714 | CIF | C20 H34 Ir N O2 P2 | P 1 21/c 1 | 13.2206; 11.3239; 15.3513 90; 97.378; 90 | 2279.2 | Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects ACS Catalysis, 2020, 6475-6487 |
4517715 | CIF | C23 H43 Cl Ir N O P2 | C 1 2/c 1 | 31.9259; 7.9828; 20.1715 90; 100.614; 90 | 5052.91 | Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects ACS Catalysis, 2020, 6475-6487 |
4517716 | CIF | C26 H45 Ir O2 P2 | P 1 21/c 1 | 8.6225; 18.5843; 17.0349 90; 90.761; 90 | 2729.48 | Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects ACS Catalysis, 2020, 6475-6487 |
4517717 | CIF | C20 H34 Ir N O P2 S | P -1 | 8.1801; 17.6065; 17.9383 62.959; 83.152; 82.77 | 2277.2 | Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects ACS Catalysis, 2020, 6475-6487 |
4517718 | CIF | C20 H37 Ir O2 P2 S0.99 | P 1 21/c 1 | 19.059; 8.033; 16.181 90; 92.063; 90 | 2476 | Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects ACS Catalysis, 2020, 6475-6487 |
4517719 | CIF | C22 H36 Ir N O2 P2 | P 1 21/c 1 | 13.6088; 11.1953; 15.5695 90; 100.675; 90 | 2331.03 | Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects ACS Catalysis, 2020, 6475-6487 |
4517720 | CIF | C19 H31 Ir O2 P2 S | C 1 2/c 1 | 29.6785; 8.0786; 18.7571 90; 101.242; 90 | 4410.93 | Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects ACS Catalysis, 2020, 6475-6487 |
4517721 | CIF | C19 H31 Ir O3 P2 | P -1 | 14.2131; 14.3576; 17.1807 108.37; 97.894; 91.083 | 3288.59 | Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects ACS Catalysis, 2020, 6475-6487 |
4517731 | CIF | C32 H37 N O3 | P 1 21 1 | 11.8096; 6.187; 19.7061 90; 105.867; 90 | 1384.99 | Wang, Yaxin; Wang, Nengyong; Zhao, Jianyou; Sun, Minzhi; You, Huichao; Fang, Fang; Liu, Zhong-Quan Visible-Light-Promoted Site-Specific and Diverse Functionalization of a C(sp3)‒C(sp3) Bond Adjacent to an Arene ACS Catalysis, 2020, 6603-6612 |
4517732 | CIF | C21 H14 Au Cl O | P -1 | 7.9594; 9.7061; 11.5124 72.844; 89.113; 80.497 | 837.63 | Zhang, Caiyun; Wang, Gendi; Zhan, Licheng; Yang, Xueyan; Wang, Jiwei; Wei, Yin; Xu, Sheng; Shi, Min; Zhang, Jun Gold(I) or Gold(III) as Real Intermediate Species in Gold-Catalyzed Cycloaddition Reactions of Enynal/Enynone? ACS Catalysis, 2020, 6682-6690 |
4517733 | CIF | C24 H18 Cl2 O | P -1 | 11.6275; 12.6651; 15.1706 113.103; 103.226; 99.082 | 1922.4 | Zhang, Caiyun; Wang, Gendi; Zhan, Licheng; Yang, Xueyan; Wang, Jiwei; Wei, Yin; Xu, Sheng; Shi, Min; Zhang, Jun Gold(I) or Gold(III) as Real Intermediate Species in Gold-Catalyzed Cycloaddition Reactions of Enynal/Enynone? ACS Catalysis, 2020, 6682-6690 |
4517734 | CIF | C22.5 H17 Au Cl6 O | C 1 2/c 1 | 20.839; 14.241; 16.555 90; 98.828; 90 | 4854.8 | Zhang, Caiyun; Wang, Gendi; Zhan, Licheng; Yang, Xueyan; Wang, Jiwei; Wei, Yin; Xu, Sheng; Shi, Min; Zhang, Jun Gold(I) or Gold(III) as Real Intermediate Species in Gold-Catalyzed Cycloaddition Reactions of Enynal/Enynone? ACS Catalysis, 2020, 6682-6690 |
4517770 | CIF | C12 H18 B2 F6 K2 O4 | P 1 21 1 | 9.9422; 6.0314; 15.453 90; 103.236; 90 | 902.03 | Wittmann, Bruce J.; Knight, Anders M.; Hofstra, Julie L.; Reisman, Sarah E.; Jennifer Kan, S. B.; Arnold, Frances H. Diversity-Oriented Enzymatic Synthesis of Cyclopropane Building Blocks ACS Catalysis, 2020, 10, 7112-7116 |
4517771 | CIF | C49 H59 Cl N4 O2 Ti | P 1 21/n 1 | 19.1679; 10.1706; 23.0399 90; 98.625; 90 | 4440.8 | Hao, Han; Schafer, Laurel L. Metal‒Ligand Cooperativity in Titanium-Catalyzed Anti-Markovnikov Hydroamination ACS Catalysis, 2020, 7100 |
4517772 | CIF | C26 H42 Cl4 Ir2 | P -1 | 8.389; 9.214; 9.659 102.796; 99.295; 100.694 | 699.2 | Liu, Lei; Song, Hong; Liu, Yan-Hua; Wu, Le-Song; Shi, Bing-Feng Achiral CpxIr(III)/Chiral Carboxylic Acid Catalyzed Enantioselective C‒H Amidation of Ferrocenes under Mild Conditions ACS Catalysis, 2020, 10, 7117-7122 |
4517773 | CIF | C20 H18 Br2 Fe N2 O2 | P 43 21 2 | 10.5631; 10.5631; 34.9612 90; 90; 90 | 3900.9 | Liu, Lei; Song, Hong; Liu, Yan-Hua; Wu, Le-Song; Shi, Bing-Feng Achiral CpxIr(III)/Chiral Carboxylic Acid Catalyzed Enantioselective C‒H Amidation of Ferrocenes under Mild Conditions ACS Catalysis, 2020, 10, 7117-7122 |
4517774 | CIF | C21 H17 Br2 N O2 S | P 1 | 5.2215; 7.9597; 23.385 87.72; 86.471; 89.947 | 969.3 | Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides ACS Catalysis, 2020, 10, 7207-7215 |
4517775 | CIF | C26 H42 Cl4 Ir2 | P 1 21/c 1 | 12.4627; 18.1472; 12.9349 90; 93.987; 90 | 2918.3 | Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides ACS Catalysis, 2020, 10, 7207-7215 |
4517776 | CIF | C23 H17 F6 N O4 S | P 21 21 21 | 5.5584; 14.559; 27.412 90; 90; 90 | 2218.3 | Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides ACS Catalysis, 2020, 10, 7207-7215 |
4517777 | CIF | C24 H27 Ir O S | P 1 21/n 1 | 10.993; 14.5354; 12.7588 90; 94.905; 90 | 2031.23 | Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides ACS Catalysis, 2020, 10, 7207-7215 |
4517778 | CIF | C26 H42 Cl4 Ir2 | P -1 | 8.3494; 9.1549; 9.6175 102.865; 98.989; 100.722 | 689.02 | Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides ACS Catalysis, 2020, 10, 7207-7215 |
4517779 | CIF | C29 H29 N2 O3 | P -1 | 10.548; 11.96; 13.948 94.54; 111.21; 115.903 | 1415.3 | Guo, Tao; Ding, Yalan; Zhou, Lili; Xu, Haiyan; Loh, Teck-Peng; Wu, Xiaojin Palladium-Catalyzed anti-Michael Reductive Heck Reaction of α,β-Unsaturated Esters ACS Catalysis, 2020, 10, 7262-7268 |
4517796 | CIF | C51 H51 F9 N5 O9 P3 Ru S3 | P 21 21 21 | 12.6221; 20.3106; 22.3941 90; 90; 90 | 5741 | Erickson, Jeremy D.; Preston, Andrew Z.; Linehan, John C.; Wiedner, Eric S. Enhanced Hydrogenation of Carbon Dioxide to Methanol by a Ruthenium Complex with a Charged Outer-Coordination Sphere ACS Catalysis, 2020, 10, 7419-7423 |
4517808 | CIF | C43 H35 O P2 Rh | P -1 | 11.1012; 11.5775; 13.3634 89.848; 77.424; 78.168 | 1639.11 | Ryan, David E.; Andrea, Kori A.; Race, James J.; Boyd, Timothy M.; Lloyd-Jones, Guy C.; Weller, Andrew S. Amine‒Borane Dehydropolymerization Using Rh-Based Precatalysts: Resting State, Chain Control, and Efficient Polymer Synthesis ACS Catalysis, 2020, 7443-7448 |
4517809 | CIF | C51.1 H44.1 O P2 Rh | P 1 21/c 1 | 16.1346; 10.4118; 24.8442 90; 98.216; 90 | 4130.7 | Ryan, David E.; Andrea, Kori A.; Race, James J.; Boyd, Timothy M.; Lloyd-Jones, Guy C.; Weller, Andrew S. Amine‒Borane Dehydropolymerization Using Rh-Based Precatalysts: Resting State, Chain Control, and Efficient Polymer Synthesis ACS Catalysis, 2020, 7443-7448 |
4517813 | CIF | C17 H34 F3 N O3 S Sn | P 1 21/n 1 | 9.7228; 15.7107; 14.334 90; 92.744; 90 | 2187.04 | Sapsford, Joshua S.; Csókás, Dániel; Scott, Daniel J.; Turnell-Ritson, Roland C.; Piascik, Adam D.; Pápai, Imre; Ashley, Andrew E. Establishing the Role of Triflate Anions in H2 Activation by a Cationic Triorganotin(IV) Lewis Acid ACS Catalysis, 2020, 7573-7583 |
4517814 | CIF | C32 H34 Al F36 N O4 Sn | P 1 21/c 1 | 14.8706; 15.2083; 21.9762 90; 104.671; 90 | 4808 | Sapsford, Joshua S.; Csókás, Dániel; Scott, Daniel J.; Turnell-Ritson, Roland C.; Piascik, Adam D.; Pápai, Imre; Ashley, Andrew E. Establishing the Role of Triflate Anions in H2 Activation by a Cationic Triorganotin(IV) Lewis Acid ACS Catalysis, 2020, 7573-7583 |
4517828 | CIF | C10 H20 K12 N10 O0 Ru2 Sn18 | C 1 2/c 1 | 15.327; 31.192; 13.692 90; 94.911; 90 | 6522 | Wang, Yanru; Zhang, Chao; Wang, Xiuyi; Guo, Jinqiu; Sun, Zhong-Ming; Zhang, Hongbo Site-Selective CO2 Reduction over Highly Dispersed Ru-SnOx Sites Derived from a [Ru@Sn9]6‒ Zintl Cluster ACS Catalysis, 2020, 7808 |
4517829 | CIF | C15 H13 N O | P 1 21 1 | 7.6989; 5.6085; 13.528 90; 92.652; 90 | 583.5 | Mao, Ying; Wang, Zehua; Wang, Gang; Zhao, Ran; Kan, Linglong; Pan, Xiaoguang; Liu, Lei Redox Deracemization of Tertiary Stereocenters Adjacent to an Electron-Withdrawing Group ACS Catalysis, 2020, 7785-7791 |
4517830 | CIF | C72 H88 Fe2 N2 Si2 | P 1 21/c 1 | 14.1589; 20.1568; 10.773 90; 96.224; 90 | 3056.5 | Witzke, Ryan J.; Hait, Diptarka; Chakarawet, Khetpakorn; Head-Gordon, Martin; Tilley, T. Don Bimetallic Mechanism for Alkyne Cyclotrimerization with a Two-Coordinate Fe Precatalyst ACS Catalysis, 2020, 7800 |
4517831 | CIF | C62 H82 Fe2 N2 O Si2 | P -1 | 12.131; 12.86; 18.9741 89.775; 87.91; 85.741 | 2949.9 | Witzke, Ryan J.; Hait, Diptarka; Chakarawet, Khetpakorn; Head-Gordon, Martin; Tilley, T. Don Bimetallic Mechanism for Alkyne Cyclotrimerization with a Two-Coordinate Fe Precatalyst ACS Catalysis, 2020, 7800 |
4517832 | CIF | C21 H36 Fe N Si | P b c n | 22.1414; 11.2865; 17.5402 90; 90; 90 | 4383.3 | Witzke, Ryan J.; Hait, Diptarka; Chakarawet, Khetpakorn; Head-Gordon, Martin; Tilley, T. Don Bimetallic Mechanism for Alkyne Cyclotrimerization with a Two-Coordinate Fe Precatalyst ACS Catalysis, 2020, 7800 |
4517836 | CIF | C15 H20 Ir N3 O5 S | P 1 21/c 1 | 8.656; 14.5247; 14.4235 90; 95.387; 90 | 1805.4 | Tensi, Leonardo; Macchioni, Alceo Extremely Fast NADH-Regeneration Using Phosphonic Acid as Hydride Source and Iridium-pyridine-2-sulfonamidate Catalysts ACS Catalysis, 2020, 7945 |
4517838 | CIF | C61 H46 O P2 Pd | P 1 21/n 1 | 18.3983; 13.9556; 20.8118 90; 109.351; 90 | 5041.7 | Xiong, Wenfang; Shi, Fuxing; Cheng, Ruixiang; Zhu, Baiyao; Wang, Lu; Chen, Pengquan; Lou, Hongming; Wu, Wanqing; Qi, Chaorong; Lei, Ming; Jiang, Huanfeng Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide ACS Catalysis, 2020, 7968 |
4517839 | CIF | C23 H28 O2 | P -1 | 10.0446; 12.2899; 17.0614 76.398; 74.831; 88.404 | 1974.5 | Xiong, Wenfang; Shi, Fuxing; Cheng, Ruixiang; Zhu, Baiyao; Wang, Lu; Chen, Pengquan; Lou, Hongming; Wu, Wanqing; Qi, Chaorong; Lei, Ming; Jiang, Huanfeng Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide ACS Catalysis, 2020, 7968 |
4517848 | CIF | C25 H24 N2 O2 Pd | P -1 | 9.3968; 9.484; 11.9025 103.496; 93.933; 90.76 | 1028.55 | Li, Ya; Zhang, Pan; Liu, Yue-Jin; Yu, Zhi-Xiang; Shi, Bing-Feng Remote γ-C(sp3)‒H Alkylation of Aliphatic Carboxamides via an Unexpected Regiodetermining Pd Migration Process: Reaction Development and Mechanistic Study ACS Catalysis, 2020, 8212-8222 |
4517849 | CIF | C19 H24 N4 O2 Pd | P 1 21/n 1 | 14.1106; 6.7889; 20.7976 90; 92.295; 90 | 1990.7 | Li, Ya; Zhang, Pan; Liu, Yue-Jin; Yu, Zhi-Xiang; Shi, Bing-Feng Remote γ-C(sp3)‒H Alkylation of Aliphatic Carboxamides via an Unexpected Regiodetermining Pd Migration Process: Reaction Development and Mechanistic Study ACS Catalysis, 2020, 8212-8222 |
4517850 | CIF | C20 H18 O2 | P 21 21 21 | 6.53867; 6.85703; 35.6756 90; 90; 90 | 1599.55 | Wang, Shou-Guo; Cramer, Nicolai Asymmetric CpxRh(III)-Catalyzed Acrylic Acid C‒H Functionalization with Allenes Provides Chiral γ-Lactones ACS Catalysis, 2020, 8231-8236 |
4517851 | CIF | C25 H23 F N2 O | P 21 21 21 | 9.2261; 9.7377; 22.6198 90; 90; 90 | 2032.19 | Shen, Yang; Shen, Meng-Lan; Wang, Pu-Sheng Light-Mediated Chiral Phosphate Catalysis for Asymmetric Dicarbofunctionalization of Enamides ACS Catalysis, 2020, 8247-8253 |
4517857 | CIF | C26 H20 F N3 O2 S | C 1 2/c 1 | 19.9143; 10.6749; 20.1936 90; 92.357; 90 | 4289.2 | Hu, Xinwei; Shao, Youxiang; Xie, Haisheng; Chen, Xin; Chen, Fengjuan; Ke, Zhuofeng; Jiang, Huanfeng; Zeng, Wei Direct Carbon‒Carbon σ Bond Amination of Unstrained Arylalkylketones ACS Catalysis, 2020, 8402-8408 |
4517858 | CIF | C26 H21 N3 O2 S | C 1 2/c 1 | 19.925; 10.806; 20.27 90; 92.45; 90 | 4360.3 | Hu, Xinwei; Shao, Youxiang; Xie, Haisheng; Chen, Xin; Chen, Fengjuan; Ke, Zhuofeng; Jiang, Huanfeng; Zeng, Wei Direct Carbon‒Carbon σ Bond Amination of Unstrained Arylalkylketones ACS Catalysis, 2020, 8402-8408 |
4517861 | CIF | C26 H40 Hf N2 | P 41 | 9.491; 9.491; 27.7364 90; 90; 90 | 2498.47 | Wallace, Mark A.; Zavalij, Peter Y.; Sita, Lawrence R. Enantioselective Living Coordinative Chain Transfer Polymerization: Production of Optically Active End-Group-Functionalized (+)- or (−)-Poly(methylene-1,3-cyclopentane) via a Homochiral C1-Symmetric Caproamidinate Hafnium Initiator ACS Catalysis, 2020, 8496-8502 |
4517862 | CIF | C26 H40 Hf N2 | P 43 | 9.4877; 9.4877; 27.766 90; 90; 90 | 2499.4 | Wallace, Mark A.; Zavalij, Peter Y.; Sita, Lawrence R. Enantioselective Living Coordinative Chain Transfer Polymerization: Production of Optically Active End-Group-Functionalized (+)- or (−)-Poly(methylene-1,3-cyclopentane) via a Homochiral C1-Symmetric Caproamidinate Hafnium Initiator ACS Catalysis, 2020, 8496-8502 |
4517870 | CIF | C20 H24 O4 S2 | P 1 21/n 1 | 19.047; 8.804; 24.664 90; 105.975; 90 | 3976.2 | Gadde, Karthik; Mampuys, Pieter; Guidetti, Andrea; Ching, H. Y. Vincent; Herrebout, Wouter A.; Van Doorslaer, Sabine; Abbaspour Tehrani, Kourosch; Maes, Bert U. W. Thiosulfonylation of Unactivated Alkenes with Visible-Light Organic Photocatalysis ACS Catalysis, 2020, 8765-8779 |
4517879 | CIF | C75 H109.5 Cl Cr2 N5.5 O5 | P 21 21 21 | 17.0512; 20.0506; 22.7296 90; 90; 90 | 7770.9 | Lipinski, Bryce M.; Walker, Katherine L.; Clayman, Naomi E.; Morris, Lilliana S.; Jugovic, Timothy M. E.; Roessler, Allison G.; Getzler, Yutan D. Y. L.; MacMillan, Samantha N.; Zare, Richard N.; Zimmerman, Paul M.; Waymouth, Robert M.; Coates, Geoffrey W. Mechanistic Study of Isotactic Poly(propylene oxide) Synthesis using a Tethered Bimetallic Chromium Salen Catalyst ACS Catalysis, 2020, 8960-8967 |
4517880 | CIF | C44.33 H22 Ni0.44 O17 Zr3 | P 6/m m m | 39.4522; 39.4522; 16.5041 90; 90; 120 | 22246.7 | Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K. Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation ACS Catalysis, 2020, 8995-9005 |
4517881 | CIF | C34 H16 Br2 Ni0.4 O17.3 Zr3 | P 6/m m m | 39.903; 39.903; 12.022 90; 90; 120 | 16577 | Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K. Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation ACS Catalysis, 2020, 8995-9005 |
4517882 | CIF | C10 H7 Ni0.1 O4 Zr0.75 | P m -3 m | 28.2651; 28.2651; 28.2651 90; 90; 90 | 22581.4 | Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K. Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation ACS Catalysis, 2020, 8995-9005 |
4517883 | CIF | C34.8 H16 Br2 Hf3 Ni0.44 O16 | P 6/m m m | 40.4333; 40.4333; 11.4682 90; 90; 120 | 16236.9 | Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K. Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation ACS Catalysis, 2020, 8995-9005 |
4517884 | CIF | C11 H6 Hf0.81 Ni0.16 O4 | P 6/m m m | 39.601; 39.601; 16.4314 90; 90; 120 | 22316 | Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K. Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation ACS Catalysis, 2020, 8995-9005 |
4517890 | CIF | C18 H21 Cl2 N O | P 1 21 1 | 7.6233; 7.8881; 13.5115 90; 91.9018; 90 | 812.04 | Rong, Zi-Qiang; Yu, Zhaoyuan; Weng, Cheng; Yang, Li-Cheng; Lu, Shenci; Lan, Yu; Zhao, Yu Dynamic Kinetic Asymmetric Amination of Alcohols Assisted by Microwave: Stereoconvergent Access to Tetralin- and Indane-Derived Chiral Amines ACS Catalysis, 2020, 9464 |
4517967 | CIF | C36 H60 B2 Ir N O4 P2 | P -1 | 14.485; 16.26; 17.548 84.689; 89.852; 71.719 | 3906 | Foley, Bryan J.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V. Combined Experimental and Computational Studies of the Mechanism of Dehydrogenative Borylation of Terminal Alkynes Catalyzed by PNP Complexes of Iridium ACS Catalysis, 2020, 9824-9836 |
4517986 | CIF | C32 H28 Fe2 N4 O5 | P -1 | 10.734; 10.815; 13.738 67.142; 85.858; 73.156 | 1405.06 | Provis-Evans, Cei B.; Lau, Samantha; Krewald, Vera; Webster, Ruth L. Regioselective Alkyne Cyclotrimerization with an In Situ-Generated [Fe(II)H(salen)]·Bpin Catalyst ACS Catalysis, 2020, 10157-10168 |
4517987 | CIF | C17 H17 N O2 | P 1 21/c 1 | 11.2862; 9.2093; 13.1111 90; 109.258; 90 | 1286.49 | Zhang, Zhijie; Yi, Dong; Zhang, Min; Wei, Jun; Lu, Ji; Yang, Lin; Wang, Jun; Hao, Na; Pan, Xianchao; Zhang, Shiqi; Wei, Siping; Fu, Qiang Photocatalytic Intramolecular [2 + 2] Cycloaddition of Indole Derivatives via Energy Transfer: A Method for Late-Stage Skeletal Transformation ACS Catalysis, 2020, 10149-10156 |
4517988 | CIF | C13 H13 N O | P 1 21/n 1 | 8.31074; 13.9007; 8.8665 90; 96.992; 90 | 1016.69 | Zhang, Zhijie; Yi, Dong; Zhang, Min; Wei, Jun; Lu, Ji; Yang, Lin; Wang, Jun; Hao, Na; Pan, Xianchao; Zhang, Shiqi; Wei, Siping; Fu, Qiang Photocatalytic Intramolecular [2 + 2] Cycloaddition of Indole Derivatives via Energy Transfer: A Method for Late-Stage Skeletal Transformation ACS Catalysis, 2020, 10149-10156 |
4517994 | CIF | C27 H34 Si2 | C 1 2/c 1 | 14.963; 12.0779; 28.792 90; 105.06; 90 | 5024.6 | Lv, Weiwei; Liu, Shihan; Chen, Yanhui; Wen, Si; Lan, Yu; Cheng, Guolin Palladium-Catalyzed Intermolecular Trans-Selective Carbofunctionalization of Internal Alkynes to Highly Functionalized Alkenes ACS Catalysis, 2020, 10516 |
4517995 | CIF | C30 H28 O2 | P 1 21/n 1 | 11.0772; 15.556; 14.641 90; 110.201; 90 | 2367.7 | Lv, Weiwei; Liu, Shihan; Chen, Yanhui; Wen, Si; Lan, Yu; Cheng, Guolin Palladium-Catalyzed Intermolecular Trans-Selective Carbofunctionalization of Internal Alkynes to Highly Functionalized Alkenes ACS Catalysis, 2020, 10516 |
4518014 | CIF | C110 H72 F12 N10 O2 P2 Ru2 | P -1 | 17.1459; 19.6957; 21.0108 93.42; 112.713; 112.979 | 5837.9 | Rajabi, Sheida; Ebrahimi, Fatemeh; Lole, Gaurav; Odrobina, Jann; Dechert, Sebastian; Jooss, Christian; Meyer, Franc Water Oxidizing Diruthenium Electrocatalysts Immobilized on Carbon Nanotubes: Effects of the Number and Positioning of Pyrene Anchors ACS Catalysis, 2020, 10614 |
4518015 | CIF | C70.5 H58 F12 N10 O3 P2 Ru2 | P -1 | 14.2194; 20.0432; 26.3213 83.352; 79.323; 87.701 | 7320.9 | Rajabi, Sheida; Ebrahimi, Fatemeh; Lole, Gaurav; Odrobina, Jann; Dechert, Sebastian; Jooss, Christian; Meyer, Franc Water Oxidizing Diruthenium Electrocatalysts Immobilized on Carbon Nanotubes: Effects of the Number and Positioning of Pyrene Anchors ACS Catalysis, 2020, 10614 |
4518016 | CIF | C32 H32 N2 O4 S2 | P 1 21/c 1 | 10.9602; 14.7542; 18.1626 90; 94.857; 90 | 2926.5 | Qian, Xiaolin; Zhou, Hui; Chaminda Lakmal, Hetti Handi; Lucore, James; Wang, Xuesong; Valle, Henry U.; Donnadieu, Bruno; Xu, Xue; Cui, Xin Fe(III)-Based Tandem Catalysis for Amidomethylative Multiple Substitution Reactions of α-Substituted Styrene Derivatives ACS Catalysis, 2020, 10627 |
4518017 | CIF | C26 H28 N2 O4 S2 | P -1 | 9.95; 10.42; 13.328 73.734; 83.867; 67.198 | 1222.9 | Qian, Xiaolin; Zhou, Hui; Chaminda Lakmal, Hetti Handi; Lucore, James; Wang, Xuesong; Valle, Henry U.; Donnadieu, Bruno; Xu, Xue; Cui, Xin Fe(III)-Based Tandem Catalysis for Amidomethylative Multiple Substitution Reactions of α-Substituted Styrene Derivatives ACS Catalysis, 2020, 10627 |
4518020 | CIF | C27 H25 Br O2 | P 1 | 9.6954; 10.1078; 22.4793 97.438; 97.121; 90.238 | 2167.11 | McLeod, David; Izzo, Joseph A.; Jørgensen, Danny K. B.; Lauridsen, Rune F.; Jørgensen, Karl Anker Development and Investigation of an Organocatalytic Enantioselective [10 + 2] Cycloaddition ACS Catalysis, 2020, 10784 |
4518021 | CIF | C82 H82 B F24 Li Ni O7 P2 | P -1 | 14.2489; 14.2542; 20.5358 84.356; 86.902; 86.242 | 4137.1 | Tran, Thi V.; Karas, Lucas J.; Wu, Judy I.; Do, Loi H. Elucidating Secondary Metal Cation Effects on Nickel Olefin Polymerization Catalysts ACS Catalysis, 2020, 10760 |
4518022 | CIF | C80.5 H85.6 B F24 K Ni O8 P2 | P -1 | 13.151; 13.356; 24.585 86.239; 81.17; 87.895 | 4256.3 | Tran, Thi V.; Karas, Lucas J.; Wu, Judy I.; Do, Loi H. Elucidating Secondary Metal Cation Effects on Nickel Olefin Polymerization Catalysts ACS Catalysis, 2020, 10760 |
4518023 | CIF | C76 H68 B Cs F24 Ni O7 P2 | P 1 21/n 1 | 17.3656; 23.606; 20.3261 90; 103.682; 90 | 8095.9 | Tran, Thi V.; Karas, Lucas J.; Wu, Judy I.; Do, Loi H. Elucidating Secondary Metal Cation Effects on Nickel Olefin Polymerization Catalysts ACS Catalysis, 2020, 10760 |
4518024 | CIF | C21 H18 N2 | P -1 | 8.9756; 9.0718; 11.0372 84.016; 85.238; 62.683 | 793.5 | Wang, Shengdong; Force, Guillaume; Guillot, Régis; Carpentier, Jean-François; Sarazin, Yann; Bour, Christophe; Gandon, Vincent; Lebœuf, David Lewis Acid/Hexafluoroisopropanol: A Promoter System for Selective ortho-C-Alkylation of Anilines with Deactivated Styrene Derivatives and Unactivated Alkenes ACS Catalysis, 2020, 10794 |
4518037 | CIF | C29 H26 N2 O4 S | P 1 21/c 1 | 16.6324; 12.5786; 23.5913 90; 90.5504; 90 | 4935.4 | De, Nirupam; Ko, Donguk; Baek, Seung-yeol; Oh, Changjin; Kim, Jiyoung; Baik, Mu-Hyun; Yoo, Eun Jeong Cu(I)-Catalyzed Enantioselective [5 + 1] Cycloaddition of N-Aromatic Compounds and Alkynes via Chelating-Assisted 1,2-Dearomative Addition ACS Catalysis, 2020, 10905 |
4518038 | CIF | C30 H27 Cl N2 O5 S | P 1 21/c 1 | 9.7732; 22.9861; 12.4889 90; 107.777; 90 | 2671.64 | De, Nirupam; Ko, Donguk; Baek, Seung-yeol; Oh, Changjin; Kim, Jiyoung; Baik, Mu-Hyun; Yoo, Eun Jeong Cu(I)-Catalyzed Enantioselective [5 + 1] Cycloaddition of N-Aromatic Compounds and Alkynes via Chelating-Assisted 1,2-Dearomative Addition ACS Catalysis, 2020, 10905 |
4518039 | CIF | C27 H26 N4 O6 | P 1 21 1 | 7.25553; 7.4022; 47.0222 90; 92.058; 90 | 2523.79 | Xue, Zaikun; Li, Yao; Luo, Sanzhong Chiral Primary Amine-Catalyzed Divergent Coupling of α-Substituted Acrylaldehydes with α-Diazoesters ACS Catalysis, 2020, 10989 |
4518040 | CIF | C1.74 H1.74 O0.35 | P 21 21 21 | 6.4822; 15.0713; 16.8103 90; 90; 90 | 1642.29 | Xue, Zaikun; Li, Yao; Luo, Sanzhong Chiral Primary Amine-Catalyzed Divergent Coupling of α-Substituted Acrylaldehydes with α-Diazoesters ACS Catalysis, 2020, 10989 |
4518041 | CIF | C18 H22 B N2 O3 S Si | P -1 | 8.5976; 9.2734; 12.5694 104.461; 99.599; 96.061 | 945.36 | Desrosiers, Vincent; Garcia, Cecilia Zavaleta; Fontaine, Frédéric-Georges Boron Recycling in the Metal-Free Transfer C‒H Borylation of Terminal Alkynes and Heteroarenes ACS Catalysis, 2020, 11046 |
4518044 | CIF | C34 H34 Cl N4 O5 P | P -1 | 10.705; 11.4472; 13.9654 97.31; 112.09; 95.568 | 1553.18 | Garrido-González, José J.; Iglesias Aparicio, Ma Mercedes; García, Miguel Martínez; Simón, Luis; Sanz, Francisca; Morán, Joaquín R.; Fuentes de Arriba, Ángel L. An Enzyme Model Which Mimics Chymotrypsin and N-Terminal Hydrolases ACS Catalysis, 2020, 11162 |
4518051 | CIF | C11 H21 N O3 | P c a 21 | 9.8601; 5.6544; 44.1243 90; 90; 90 | 2460.06 | Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives ACS Catalysis, 2020, 10, 11365-11370 |
4518052 | CIF | C11 H21 N O3 | P b c a | 9.2362; 10.9879; 23.7378 90; 90; 90 | 2409.06 | Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives ACS Catalysis, 2020, 10, 11365-11370 |
4518053 | CIF | C12 H16 O | P 1 21/c 1 | 14.6389; 5.303; 13.1361 90; 106.994; 90 | 975.23 | Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives ACS Catalysis, 2020, 10, 11365-11370 |
4518054 | CIF | C15 H28 O2 | P 1 21/c 1 | 9.1475; 19.6782; 7.9541 90; 92.11; 90 | 1430.82 | Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives ACS Catalysis, 2020, 10, 11365-11370 |
4518056 | CIF | C20 H24 O5 S2 | P b c a | 13.1697; 8.5458; 33.8861 90; 90; 90 | 3813.73 | Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V. Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition ACS Catalysis, 2020, 10, 11448-11457 |
4518057 | CIF | C128 H210 O13 | C 1 2 1 | 27.5054; 7.159; 28.9864 90; 91.009; 90 | 5706.86 | Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V. Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition ACS Catalysis, 2020, 10, 11448-11457 |
4518058 | CIF | C15 H20 O2 | P 1 21/n 1 | 6.46515; 7.56208; 26.4823 90; 93.8866; 90 | 1291.74 | Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V. Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition ACS Catalysis, 2020, 10, 11448-11457 |
4518059 | CIF | C20 H30 B N O4 | P 1 21/c 1 | 13.4325; 9.9472; 15.5089 90; 101.16; 90 | 2033.05 | Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V. Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition ACS Catalysis, 2020, 10, 11448-11457 |
4518060 | CIF | C20 H22 F2 O4 S2 | P 1 21/c 1 | 11.66361; 15.02503; 11.25687 90; 97.1362; 90 | 1957.44 | Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V. Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition ACS Catalysis, 2020, 10, 11448-11457 |
4518061 | CIF | C37 H56 O3 S | P 1 21 1 | 14.75517; 11.9167; 18.31913 90; 93.7103; 90 | 3214.35 | Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V. Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition ACS Catalysis, 2020, 10, 11448-11457 |
4518062 | CIF | C16 H26 O2 | C 1 2/c 1 | 23.988; 6.72515; 18.4587 90; 109.443; 90 | 2808 | Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V. Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition ACS Catalysis, 2020, 10, 11448-11457 |
4518064 | CIF | C14 H12 O5 | P 1 21/c 1 | 14.8299; 7.4261; 11.4598 90; 109.078; 90 | 1192.73 | Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P. Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans ACS Catalysis, 2020, 10, 11466-11480 |
4518065 | CIF | C18 H12 O3 | C 1 2/c 1 | 12.3333; 11.1772; 19.7023 90; 101.316; 90 | 2663.2 | Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P. Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans ACS Catalysis, 2020, 10, 11466-11480 |
4518066 | CIF | C13 H7 F3 O3 | P 1 21/c 1 | 11.0065; 13.6364; 7.4223 90; 101.195; 90 | 1092.81 | Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P. Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans ACS Catalysis, 2020, 10, 11466-11480 |
4518081 | CIF | C23 H27.38 Ir N O2.69 | P -1 | 8.2522; 10.6947; 11.645 88.833; 86.13; 88.885 | 1025 | Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination ACS Catalysis, 2020, 11693-11699 |
4518082 | CIF | C30 H36 N4 O Si | P -1 | 11.2966; 17.3143; 23.2024 101.869; 102.938; 99.047 | 4228.98 | Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination ACS Catalysis, 2020, 11693-11699 |
4518083 | CIF | C32 H44 Ir N Si | P 1 21/n 1 | 11.3222; 18.4507; 14.6046 90; 103.017; 90 | 2972.54 | Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination ACS Catalysis, 2020, 11693-11699 |
4518084 | CIF | C22 H28 F N O Si | P 1 21/c 1 | 20.944; 8.1654; 12.3532 90; 97.35; 90 | 2095.24 | Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination ACS Catalysis, 2020, 11693-11699 |
4518085 | CIF | C39 H55.66 Cl2 N2 O2.83 Si2 | P -1 | 7.4568; 20.0275; 27.8489 88.958; 84.338; 80.073 | 4076.73 | Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination ACS Catalysis, 2020, 11693-11699 |
4518086 | CIF | C26 H31 N O Si | P c a 21 | 24.9365; 11.3131; 8.3785 90; 90; 90 | 2363.65 | Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination ACS Catalysis, 2020, 11693-11699 |
4518087 | CIF | C33 H48 F N Si2 | P 1 21 1 | 8.0636; 13.035; 15.6853 90; 96.548; 90 | 1637.91 | Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination ACS Catalysis, 2020, 11693-11699 |
4518091 | CIF | C21 H34 Br2 O4 Si | P b c a | 12.8335; 14.5079; 25.395 90; 90; 90 | 4728.22 | Schäfers, Felix; Quach, Linda; Schwarz, J. Luca; Saladrigas, Mar; Daniliuc, Constantin G.; Glorius, Frank Direct Access to Monoprotected Homoallylic 1,2-Diols via Dual Chromium/Photoredox Catalysis ACS Catalysis, 2020, 11841-11847 |
4518092 | CIF | C42 H52 F6 Mn N4 O6 S2 | P 21 21 21 | 10.8133; 18.3449; 22.899 90; 90; 90 | 4542.4 | Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes ACS Catalysis, 2020, 11857-11863 |
4518093 | CIF | C53 H76 Cl2 F6 Mn N4 O9 S2 | P 43 21 2 | 18.048; 18.048; 18.684 90; 90; 90 | 6086 | Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes ACS Catalysis, 2020, 11857-11863 |
4518094 | CIF | C36 H40 F6 Mn N4 O8 S2 | P 43 21 2 | 15.2678; 15.2678; 17.167 90; 90; 90 | 4001.7 | Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes ACS Catalysis, 2020, 11857-11863 |
4518095 | CIF | C42 H52 F6 Mn N4 O6 S2 | P 21 21 21 | 10.8038; 18.2978; 22.8902 90; 90; 90 | 4525.1 | Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes ACS Catalysis, 2020, 11857-11863 |
4518103 | CIF | C25 H25 N O5 | P 1 21 1 | 11.568; 14.8438; 12.2105 90; 94.94; 90 | 2088.91 | Harada, Shingo; Yanagawa, Mai; Nemoto, Tetsuhiro Dual-Functional Enone-Directing Group/Electrophile for Sequential C‒C Bond Formation with α-Diazomalonates: A Short Synthesis of Chiral 3,4-Fused Tricyclic Indoles ACS Catalysis, 2020, 11971-11979 |
4518108 | CIF | C14 H18 Br N | P 21 21 21 | 6.4796; 10.8112; 17.4816 90; 90; 90 | 1224.63 | Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin Enantioselective Cyanoborylation of Allenes by N-Heterocyclic Carbene-Copper Catalysts ACS Catalysis, 2020, 11685-11692 |
4518109 | CIF | C5 H8 F N O | P 1 21/c 1 | 10.9416; 5.8946; 8.9783 90; 112.366; 90 | 535.51 | Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation ACS Catalysis, 2020, 12052-12057 |
4518110 | CIF | C5 H8 F N O | P 1 21/c 1 | 6.8234; 7.0364; 11.2928 90; 93.296; 90 | 541.29 | Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation ACS Catalysis, 2020, 12052-12057 |
4518111 | CIF | C12 H13 F4 N | P b c n | 16.6845; 6.2599; 21.2252 90; 90; 90 | 2216.83 | Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation ACS Catalysis, 2020, 12052-12057 |
4518112 | CIF | C13 H14 F4 N2 O | P 1 21/c 1 | 12.8484; 8.4676; 11.8938 90; 95.519; 90 | 1287.99 | Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation ACS Catalysis, 2020, 12052-12057 |
4518113 | CIF | C13 H19 F N2 O2 | P 1 21/n 1 | 11.8985; 7.4145; 15.3304 90; 101.584; 90 | 1324.92 | Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation ACS Catalysis, 2020, 12052-12057 |
4518114 | CIF | C7 H11 F N2 O | P 1 21/c 1 | 4.7931; 12.9627; 12.803 90; 97.469; 90 | 788.72 | Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation ACS Catalysis, 2020, 12052-12057 |
4518115 | CIF | C5 H11 Cl F N | P 1 21 1 | 6.6025; 7.3672; 7.036 90; 90.746; 90 | 342.216 | Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation ACS Catalysis, 2020, 12052-12057 |
4518119 | CIF | C47 H51 Al Cl4 N5 O4 P2 Rh | P 1 21/n 1 | 15.4262; 17.0323; 19.6403 90; 111.781; 90 | 4791.96 | Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand ACS Catalysis, 2020, 10, 12223-12228 |
4518120 | CIF | C88 H68 Cl14 Ga4 N8 P4 Rh2 | P -1 | 16.4861; 17.1218; 18.1159 102.604; 96.8135; 92.8749 | 4939.85 | Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand ACS Catalysis, 2020, 10, 12223-12228 |
4518121 | CIF | C47 H45 Cl7 In2 N3 O2 P2 Rh | P -1 | 12.4389; 13.5826; 15.0995 83.4699; 80.9723; 86.2699 | 2500.25 | Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand ACS Catalysis, 2020, 10, 12223-12228 |
4518122 | CIF | C126 H110 Cl12 Ga4 N6 O3 P6 Rh2 | C 1 2/c 1 | 37.4179; 14.6854; 22.6886 90; 90.5378; 90 | 12466.8 | Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand ACS Catalysis, 2020, 10, 12223-12228 |
4518130 | CIF | C11 H12 F3 N O2 S | P -1 | 7.1106; 8.8828; 9.8984 77.175; 89.3; 74.07 | 585.4 | Ge, Hangming; Wu, Botao; Liu, Yafei; Wang, Haoyang; Shen, Qilong Synergistic Lewis Acid and Photoredox-Catalyzed Trifluoromethylative Difunctionalization of Alkenes with Selenium Ylide-Based Trifluoromethylating Reagent ACS Catalysis, 2020, 12414-12424 |
4518133 | CIF | C57 H37 Al Cl10 N2 O2 | P 1 21/c 1 | 12.236; 21.4326; 20.1723 90; 103.841; 90 | 5136.56 | Hubbell, Aran K.; Lamb, Jessica R.; Klimovica, Kristine; Mulzer, Michael; Shaffer, Timothy D.; MacMillan, Samantha N.; Coates, Geoffrey W. Catalyst-Controlled Regioselective Carbonylation of Isobutylene Oxide to Pivalolactone ACS Catalysis, 2020, 12537-12543 |
4518134 | CIF | C96 H86 Al B N2 O7 | P 1 n 1 | 14.16596; 24.26807; 21.69468 90; 95.347; 90 | 7425.75 | Hubbell, Aran K.; Lamb, Jessica R.; Klimovica, Kristine; Mulzer, Michael; Shaffer, Timothy D.; MacMillan, Samantha N.; Coates, Geoffrey W. Catalyst-Controlled Regioselective Carbonylation of Isobutylene Oxide to Pivalolactone ACS Catalysis, 2020, 12537-12543 |
4518143 | CIF | C20 H20 N2 O2 | P 1 21/c 1 | 12.058; 9.432; 14.999 90; 104.566; 90 | 1651 | Zhu, Min; Zhang, Xiao; Zheng, Chao; You, Shu-Li Visible-Light-Induced Dearomatization via [2+2] Cycloaddition or 1,5-Hydrogen Atom Transfer: Divergent Reaction Pathways of Transient Diradicals ACS Catalysis, 2020, 12618-12626 |
4518144 | CIF | C17 H20 N2 O2 | P 1 21/c 1 | 11.248; 13.4191; 9.9224 90; 96.859; 90 | 1486.95 | Zhu, Min; Zhang, Xiao; Zheng, Chao; You, Shu-Li Visible-Light-Induced Dearomatization via [2+2] Cycloaddition or 1,5-Hydrogen Atom Transfer: Divergent Reaction Pathways of Transient Diradicals ACS Catalysis, 2020, 12618-12626 |
4518145 | CIF | C20 H19 Cl N2 O2 | P 1 21/c 1 | 8.425; 13.085; 16.325 90; 104.597; 90 | 1741.6 | Zhu, Min; Zhang, Xiao; Zheng, Chao; You, Shu-Li Visible-Light-Induced Dearomatization via [2+2] Cycloaddition or 1,5-Hydrogen Atom Transfer: Divergent Reaction Pathways of Transient Diradicals ACS Catalysis, 2020, 12618-12626 |
4518146 | CIF | C20 H16 Br2 Co N4 | P 1 21/c 1 | 8.567; 14.5739; 15.62 90; 97.596; 90 | 1933.1 | Dorval, Céline; Tricoire, Maxime; Begouin, Jeanne-Marie; Gandon, Vincent; Gosmini, Corinne Cobalt-Catalyzed C(sp2)‒CN Bond Activation: Cross-Electrophile Coupling for Biaryl Formation and Mechanistic Insight ACS Catalysis, 2020, 12819-12827 |
4518147 | CIF | C120 H96 Br9 Co4 Mn2 N24 | P 63 2 2 | 13.2935; 13.2935; 40.9 90; 90; 120 | 6259.4 | Dorval, Céline; Tricoire, Maxime; Begouin, Jeanne-Marie; Gandon, Vincent; Gosmini, Corinne Cobalt-Catalyzed C(sp2)‒CN Bond Activation: Cross-Electrophile Coupling for Biaryl Formation and Mechanistic Insight ACS Catalysis, 2020, 12819-12827 |
4518163 | CIF | C22 H30 B Fe N | P 21 21 21 | 9.618; 14.2124; 14.4586 90; 90; 90 | 1976.42 | Dong, Wu-Wei; Li, Yi-Nan; Chang, Xin; Shen, Chong; Wang, Chun-Jiang Chiral Ugi-Type Amines: Practical Synthesis, Ligand Development, and Asymmetric Catalysis ACS Catalysis, 2020, 12954-12959 |
4518164 | CIF | C27 H27 N O5 | P 1 21/c 1 | 13.9717; 22.3087; 15.064 90; 90.591; 90 | 4695.06 | Sugawara, Masumi; Ohnishi, Rikako; Ezawa, Tetsuya; Akakabe, Mai; Sawamura, Miki; Hojo, Daiki; Hashizume, Daisuke; Sohtome, Yoshihiro; Sodeoka, Mikiko Regiodivergent Oxidative Cross-Coupling of Catechols with Persistent tert-Carbon Radicals ACS Catalysis, 2020, 12770-12782 |
4518165 | CIF | C96 H82 B2 F8 O6 P4 Pd2 | P 21 21 21 | 13.7004; 20.3764; 29.3278 90; 90; 90 | 8187.3 | Sugawara, Masumi; Ohnishi, Rikako; Ezawa, Tetsuya; Akakabe, Mai; Sawamura, Miki; Hojo, Daiki; Hashizume, Daisuke; Sohtome, Yoshihiro; Sodeoka, Mikiko Regiodivergent Oxidative Cross-Coupling of Catechols with Persistent tert-Carbon Radicals ACS Catalysis, 2020, 12770-12782 |
4518175 | CIF | C24 H42 Cl Ir N O6 P | P -1 | 7.9554; 13.3409; 13.583 108.591; 95.505; 94.138 | 1352 | Dodge, Henry M.; Kita, Matthew R.; Chen, Chun-Hsing; Miller, Alexander J. M. Identifying and Evading Olefin Isomerization Catalyst Deactivation Pathways Resulting from Ion-Tunable Hemilability ACS Catalysis, 2020, 13019-13030 |
4518176 | CIF | C97 H72 B2 F48 Ir Li N O5 P | P 1 | 12.8158; 12.8715; 17.2525 80.155; 89.504; 66.413 | 2564.14 | Dodge, Henry M.; Kita, Matthew R.; Chen, Chun-Hsing; Miller, Alexander J. M. Identifying and Evading Olefin Isomerization Catalyst Deactivation Pathways Resulting from Ion-Tunable Hemilability ACS Catalysis, 2020, 13019-13030 |
4518181 | CIF | C7 H13 Cl O | P 21 21 21 | 5.24; 6.2805; 23.9605 90; 90; 90 | 788.54 | Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers ACS Catalysis, 2020, 13050-13057 |
4518182 | CIF | C8 H15 Cl O | P 1 21 1 | 6.2973; 5.2861; 12.6948 90; 93.567; 90 | 421.77 | Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers ACS Catalysis, 2020, 13050-13057 |
4518183 | CIF | C9 H15 Cl O2 | P 21 21 21 | 7.2887; 9.0165; 15.2516 90; 90; 90 | 1002.31 | Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers ACS Catalysis, 2020, 13050-13057 |
4518184 | CIF | C10 H16 O2 | P 21 21 21 | 6.1266; 8.4858; 18.3913 90; 90; 90 | 956.15 | Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers ACS Catalysis, 2020, 13050-13057 |
4518185 | CIF | C68 H56 Cl2 Cu2 F8 O2 P4 | P -1 | 13.3478; 14.062; 17.8249 90.177; 93.026; 114.592 | 3036.8 | Kang, Taeho; Erbay, Tuğçe G.; Xu, Kane L.; Gallego, Gary M.; Burtea, Alexander; Nair, Sajiv K.; Patman, Ryan L.; Zhou, Ru; Sutton, Scott C.; McAlpine, Indrawan J.; Liu, Peng; Engle, Keary M. Multifaceted Substrate‒Ligand Interactions Promote the Copper-Catalyzed Hydroboration of Benzylidenecyclobutanes and Related Compounds ACS Catalysis, 2020, 13075-13083 |
4518186 | CIF | C80 H64 Cl2 Cu2 F24 O3 P4 | P -1 | 16.4338; 16.5229; 17.2231 69.906; 77.081; 64.824 | 3958.2 | Kang, Taeho; Erbay, Tuğçe G.; Xu, Kane L.; Gallego, Gary M.; Burtea, Alexander; Nair, Sajiv K.; Patman, Ryan L.; Zhou, Ru; Sutton, Scott C.; McAlpine, Indrawan J.; Liu, Peng; Engle, Keary M. Multifaceted Substrate‒Ligand Interactions Promote the Copper-Catalyzed Hydroboration of Benzylidenecyclobutanes and Related Compounds ACS Catalysis, 2020, 13075-13083 |
4518195 | CIF | C20 H19 Br N2 O3 | P 21 21 21 | 11.3768; 13.3425; 24.5874 90; 90; 90 | 3732.24 | Harada, Shingo; Kobayashi, Mayu; Kono, Masato; Nemoto, Tetsuhiro Site-Selective and Chemoselective C‒H Functionalization for the Synthesis of Spiroaminals via a Silver-Catalyzed Nitrene Transfer Reaction ACS Catalysis, 2020, 10, 13296-13304 |
4518198 | CIF | C20 H24 I N2 Rh | P 1 21/c 1 | 14.0181; 8.46; 16.4369 90; 102.753; 90 | 1901.2 | Sánchez-Page, Beatriz; Munarriz, Julen; Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Blasco, Javier; Subias, Gloria; Passarelli, Vincenzo; Álvarez, Patricia β-(Z) Selectivity Control by Cyclometalated Rhodium(III)‒Triazolylidene Homogeneous and Heterogeneous Terminal Alkyne Hydrosilylation Catalysts ACS Catalysis, 2020, 10, 13334-13351 |
4518199 | CIF | C26 H28 Cl3 I N3 Rh | P 1 21/c 1 | 17.652; 12.0217; 14.0368 90; 113.194; 90 | 2738 | Sánchez-Page, Beatriz; Munarriz, Julen; Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Blasco, Javier; Subias, Gloria; Passarelli, Vincenzo; Álvarez, Patricia β-(Z) Selectivity Control by Cyclometalated Rhodium(III)‒Triazolylidene Homogeneous and Heterogeneous Terminal Alkyne Hydrosilylation Catalysts ACS Catalysis, 2020, 10, 13334-13351 |
4518200 | CIF | C30 H31 N5 Ti | P 43 21 2 | 12.9396; 12.9396; 35.996 90; 90; 90 | 6026.9 | See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A. Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis ACS Catalysis, 2020, 10, 13504-13517 |
4518201 | CIF | C82.52 H77.04 N10 Ti2 | P 1 21/n 1 | 9.4737; 36.2928; 19.9562 90; 95.112; 90 | 6834.2 | See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A. Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis ACS Catalysis, 2020, 10, 13504-13517 |
4518202 | CIF | C80 H78 Cl N2 O3 P3 Ti2 | P 1 21/c 1 | 24.117; 15.0952; 20.943 90; 114.01; 90 | 6964.6 | See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A. Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis ACS Catalysis, 2020, 10, 13504-13517 |
4518203 | CIF | C50 H62 Cl4 N6 Ti2 | P -1 | 9.8644; 12.5071; 12.5128 116.587; 93.947; 112.994 | 1213.89 | See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A. Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis ACS Catalysis, 2020, 10, 13504-13517 |
4518214 | CIF | C16 H13 Cl2 N S | C 1 c 1 | 11.7514; 13.3298; 9.6736 90; 95.87; 90 | 1507.36 | Su, Yong-Liang; Tram, Linh; Wherritt, Daniel; Arman, Hadi; Griffith, Wendell P.; Doyle, Michael P. α-Amino Radical-Mediated Diverse Difunctionalization of Alkenes: Construction of C‒C, C‒N, and C‒S Bonds ACS Catalysis, 2020, 10, 13682-13687 |
4518215 | CIF | C14 H11 Cl2 N S | P 1 21 1 | 7.9208; 5.9641; 13.9611 90; 95.677; 90 | 656.294 | Su, Yong-Liang; Tram, Linh; Wherritt, Daniel; Arman, Hadi; Griffith, Wendell P.; Doyle, Michael P. α-Amino Radical-Mediated Diverse Difunctionalization of Alkenes: Construction of C‒C, C‒N, and C‒S Bonds ACS Catalysis, 2020, 10, 13682-13687 |
4518216 | CIF | C81 H90 Br5 N13 Ni4 O3 | P 1 21 1 | 12.1646; 21.938; 16.962 90; 102.835; 90 | 4413.5 | Long, Cheng-Yu; Ni, Shao-Fei; Su, Min-Hui; Wang, Xue-Qiang; Tan, Weihong Highly Chemoselective Access to 2,2′-Diaminobiaryls via Ni-Catalyzed Protecting-Group-Free Coupling of 2-Haloanilines ACS Catalysis, 2020, 10, 13641-13649 |
4518242 | CIF | C25 H20 F N O5 S | P 1 21/c 1 | 16.6287; 9.5046; 14.4444 90; 109.835; 90 | 2147.5 | Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis ACS Catalysis, 2020, 14117-14126 |
4518243 | CIF | C26 H22 F N O5 S | P -1 | 8.0552; 11.7776; 12.3272 105.882; 95.33; 93.032 | 1116.24 | Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis ACS Catalysis, 2020, 14117-14126 |
4518244 | CIF | C26 H22 F3 N O4 S | P c c n | 20.9621; 13.2147; 17.096 90; 90; 90 | 4735.73 | Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis ACS Catalysis, 2020, 14117-14126 |
4518245 | CIF | C27.5 H28 F2 N O6.5 S | P 1 21/c 1 | 11.9745; 8.5948; 25.5692 90; 103.368; 90 | 2560.2 | Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis ACS Catalysis, 2020, 14117-14126 |
4518246 | CIF | C20 H20 F N O4 S | P c a 21 | 20.8044; 9.0158; 10.0248 90; 90; 90 | 1880.33 | Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis ACS Catalysis, 2020, 14117-14126 |
4518247 | CIF | C26 H25 F2 N O4 S | P 1 21/c 1 | 18.2175; 7.7392; 16.7579 90; 102.923; 90 | 2302.83 | Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis ACS Catalysis, 2020, 14117-14126 |
4518248 | CIF | C19 H17 N O5 S | P 1 21/n 1 | 8.91; 10.057; 20.0309 90; 102.026; 90 | 1755.53 | Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis ACS Catalysis, 2020, 14117-14126 |
4518249 | CIF | C26 H23 F2 N O5 S | P 1 21 1 | 9.9672; 13.3088; 17.6941 90; 97.059; 90 | 2329.36 | Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis ACS Catalysis, 2020, 14117-14126 |
4518250 | CIF | C19 H17 F2 N O4 S | P 1 21/n 1 | 8.8969; 10.1294; 20.1617 90; 101.962; 90 | 1777.52 | Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis ACS Catalysis, 2020, 14117-14126 |
4518251 | CIF | C25 H20 F3 N O4 S | P 1 21 1 | 9.7433; 7.3884; 15.0351 90; 97.095; 90 | 1074.05 | Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis ACS Catalysis, 2020, 14117-14126 |
4518260 | CIF | C24 H24 F3 N O2 S | P 1 21/n 1 | 16.6732; 7.8057; 16.9323 90; 103.9; 90 | 2139.14 | Apolinar, Omar; Tran, Van T.; Kim, Nana; Schmidt, Michael A.; Derosa, Joseph; Engle, Keary M. Sulfonamide Directivity Enables Ni-Catalyzed 1,2-Diarylation of Diverse Alkenyl Amines ACS Catalysis, 2020, 14234-14239 |
4518266 | CIF | C12 H15 N O6 | P 1 21 1 | 8.3518; 9.1518; 9.0312 90; 112.947; 90 | 635.67 | Niederer, Kyle A.; Gilmartin, Philip H.; Kozlowski, Marisa C. Oxidative Photocatalytic Homo- and Cross-Coupling of Phenols: Nonenzymatic, Catalytic Method for Coupling Tyrosine ACS Catalysis, 2020, 14615-14623 |
4518269 | CIF | C38 H28 P2 | P 1 21/c 1 | 10.5142; 13.9784; 19.3527 90; 100.698; 90 | 2794.9 | Chen, Xiao-Yang; Zhou, Xukai; Wang, Jianchun; Dong, Guangbin FMPhos: Expanding the Catalytic Capacity of Small-Bite-Angle Bisphosphine Ligands in Regioselective Alkene Hydrofunctionalizations ACS Catalysis, 2020, 14349-14358 |
4518270 | CIF | C43 H45 Cl2 F6 Fe Mo N3 O6 S2 | P 1 21 1 | 11.4984; 18.3575; 12.3063 90; 115.676; 90 | 2341.1 | Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R. Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach ACS Catalysis, 2020, 14810-14823 |
4518271 | CIF | C77 H61 B F33 Mo N3 O | P -1 | 12.9087; 16.1499; 20.173 101.303; 101.414; 103.356 | 3879.9 | Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R. Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach ACS Catalysis, 2020, 14810-14823 |
4518272 | CIF | C75 H59 B F33 Mo N3 O | P -1 | 12.8175; 15.5311; 20.3008 104.613; 96.591; 92.48 | 3873.7 | Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R. Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach ACS Catalysis, 2020, 14810-14823 |
4518273 | CIF | C77 H58 B Cl2 F33 Mo N4 O | P -1 | 12.8554; 16.2503; 19.8326 105.02; 96.524; 96.704 | 3929.2 | Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R. Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach ACS Catalysis, 2020, 14810-14823 |
4518274 | CIF | C76 H58.5 B F33 Mo N3.5 O | P -1 | 12.871; 15.3569; 39.432 83.163; 86.32; 89.432 | 7722.7 | Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R. Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach ACS Catalysis, 2020, 14810-14823 |
4518275 | CIF | C26 H21 F18 Mo N O2 | P 1 21/n 1 | 12.4112; 10.6334; 23.3549 90; 103.504; 90 | 2997 | Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R. Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach ACS Catalysis, 2020, 14810-14823 |
4518276 | CIF | C8 H8 Cl N O | P 1 21/c 1 | 6.1585; 4.6786; 26.8306 90; 96.26; 90 | 768.46 | Leong, Bi-Xiang; Teo, Yeow-Chuan; Condamines, Cloé; Yang, Ming-Chung; Su, Ming-Der; So, Cheuk-Wai A NHC-Silyliumylidene Cation for Catalytic N-Formylation of Amines Using Carbon Dioxide ACS Catalysis, 2020, 14824-14833 |
4518277 | CIF | C8 H9 N O2 | C 1 2/c 1 | 14.8957; 12.8359; 8.415 90; 111.928; 90 | 1492.55 | Leong, Bi-Xiang; Teo, Yeow-Chuan; Condamines, Cloé; Yang, Ming-Chung; Su, Ming-Der; So, Cheuk-Wai A NHC-Silyliumylidene Cation for Catalytic N-Formylation of Amines Using Carbon Dioxide ACS Catalysis, 2020, 14824-14833 |
4518278 | CIF | C13 H19 N O | P 61 | 16.8594; 16.8594; 8.3896 90; 90; 120 | 2065.2 | Leong, Bi-Xiang; Teo, Yeow-Chuan; Condamines, Cloé; Yang, Ming-Chung; Su, Ming-Der; So, Cheuk-Wai A NHC-Silyliumylidene Cation for Catalytic N-Formylation of Amines Using Carbon Dioxide ACS Catalysis, 2020, 14824-14833 |
4518293 | CIF | C79 H45.5 Br2 F6 I2 O10 | P 1 21 1 | 18.5988; 13.7054; 26.5064 90; 104.133; 90 | 6552.1 | Lai, Junshan; Fianchini, Mauro; Pericàs, Miquel A. Development of Immobilized SPINOL-Derived Chiral Phosphoric Acids for Catalytic Continuous Flow Processes. Use in the Catalytic Desymmetrization of 3,3-Disubstituted Oxetanes ACS Catalysis, 2020, 14971-14983 |
4518327 | CIF | C28 H33 B Br N O4 | P -1 | 10.0807; 11.1859; 12.2258 74.6461; 84.2332; 88.2173 | 1322.66 | Nallagonda, Rajender; Karimov, Rashad R. Copper-Catalyzed Regio- and Diastereoselective Additions of Boron-Stabilized Carbanions to Heteroarenium Salts: Synthesis of Azaheterocycles Containing Contiguous Stereocenters ACS Catalysis, 2020, 248-254 |
4518328 | CIF | C26 H32 B0 N2 O4 S | P -1 | 9.2929; 11.4055; 12.1564 104.13; 93.917; 90.897 | 1245.86 | Nallagonda, Rajender; Karimov, Rashad R. Copper-Catalyzed Regio- and Diastereoselective Additions of Boron-Stabilized Carbanions to Heteroarenium Salts: Synthesis of Azaheterocycles Containing Contiguous Stereocenters ACS Catalysis, 2020, 248-254 |
4518332 | CIF | C31 H29 N O2 S | P b c a | 13.793; 18.478; 20.113 90; 90; 90 | 5126.1 | Zhong, Long-Jin; Li, Yang; An, De-Lie; Li, Jin-Heng Heteroannulation of N-Fluoro-N-alkylsulfonamides with Terminal Alkynes via Remote C(sp3)‒H Functionalization ACS Catalysis, 2020, 383-389 |
4518334 | CIF | C35 H26 F16 Ir N6 O P | P 1 21/n 1 | 13.6349; 13.8194; 20.9311 90; 96.357; 90 | 3919.7 | He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization ACS Catalysis, 2020, 446-455 |
4518335 | CIF | C37 H20 F16 Ir N6 P | P 1 21/c 1 | 13.4456; 15.4907; 19.3081 90; 108.084; 90 | 3822.9 | He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization ACS Catalysis, 2020, 446-455 |
4518336 | CIF | C32 H16 F10 Ir N5 | C 1 2/n 1 | 19.625; 17.8886; 17.9372 90; 93.187; 90 | 6287.4 | He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization ACS Catalysis, 2020, 446-455 |
4518337 | CIF | C18 H15 N O3 S2 | P 1 21/n 1 | 10.5004; 9.9404; 16.6691 90; 106.602; 90 | 1667.36 | He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization ACS Catalysis, 2020, 446-455 |
4518338 | CIF | C38 H21 F16 Ir N5 P | C 1 2/c 1 | 20.2832; 20.7079; 18.8839 90; 107.83; 90 | 7550.7 | He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization ACS Catalysis, 2020, 446-455 |
4518339 | CIF | C23 H18 N2 O2 | P -1 | 5.221; 12.037; 14.359 78.97; 84.119; 87.601 | 880.8 | He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization ACS Catalysis, 2020, 446-455 |
4518340 | CIF | C38 H21 F16 Ir N5 P | C 1 2/c 1 | 20.3077; 20.7973; 18.9412 90; 107.616; 90 | 7624.6 | He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization ACS Catalysis, 2020, 446-455 |
4518341 | CIF | C12 H14 O2 | C 1 2/c 1 | 15.2075; 6.9155; 20.9784 90; 110.663; 90 | 2064.3 | Nguyen, Kevin; Clement, Helen A.; Bernier, Louise; Coe, Jotham W.; Farrell, William; Helal, Christopher J.; Reese, Matthew R.; Sach, Neal W.; Lee, Jack C.; Hall, Dennis G. Catalytic Enantioselective Synthesis of a cis-β-Boronyl Cyclobutylcarboxyester Scaffold and Its Highly Diastereoselective Nickel/Photoredox Dual-Catalyzed Csp3‒Csp2 Cross-Coupling to Access Elusive trans-β-Aryl/Heteroaryl Cyclobutylcarboxyesters ACS Catalysis, 2020, 404-413 |
4518342 | CIF | C18 H15 B Br2 F3 K O2 | P 21 21 2 | 20.0712; 30.159; 6.8657 90; 90; 90 | 4156 | Nguyen, Kevin; Clement, Helen A.; Bernier, Louise; Coe, Jotham W.; Farrell, William; Helal, Christopher J.; Reese, Matthew R.; Sach, Neal W.; Lee, Jack C.; Hall, Dennis G. Catalytic Enantioselective Synthesis of a cis-β-Boronyl Cyclobutylcarboxyester Scaffold and Its Highly Diastereoselective Nickel/Photoredox Dual-Catalyzed Csp3‒Csp2 Cross-Coupling to Access Elusive trans-β-Aryl/Heteroaryl Cyclobutylcarboxyesters ACS Catalysis, 2020, 404-413 |
4518343 | CIF | C31 H35 B O5 | P 21 21 21 | 9.1022; 11.2466; 27.186 90; 90; 90 | 2783 | Nguyen, Kevin; Clement, Helen A.; Bernier, Louise; Coe, Jotham W.; Farrell, William; Helal, Christopher J.; Reese, Matthew R.; Sach, Neal W.; Lee, Jack C.; Hall, Dennis G. Catalytic Enantioselective Synthesis of a cis-β-Boronyl Cyclobutylcarboxyester Scaffold and Its Highly Diastereoselective Nickel/Photoredox Dual-Catalyzed Csp3‒Csp2 Cross-Coupling to Access Elusive trans-β-Aryl/Heteroaryl Cyclobutylcarboxyesters ACS Catalysis, 2020, 404-413 |
4518345 | CIF | C118 H75 Cl18 F12 N4 O16.5 Rh2 S8 | C 1 2 1 | 30.933; 17.5225; 24.1606 90; 92.0449; 90 | 13087.3 | Murai, Takuya; Lu, Wenjie; Kuribayashi, Toshifumi; Morisaki, Kazuhiro; Ueda, Yoshihiro; Hamada, Shohei; Kobayashi, Yusuke; Sasamori, Takahiro; Tokitoh, Norihiro; Kawabata, Takeo; Furuta, Takumi Conformational Control in Dirhodium(II) Paddlewheel Catalysts Supported by Chalcogen-Bonding Interactions for Stereoselective Intramolecular C‒H Insertion Reactions ACS Catalysis, 2020, 568-578 |
4518346 | CIF | C98 H66 Cl6 F12 N4 O14 Rh2 | P 21 21 21 | 14.4646; 23.7613; 26.3686 90; 90; 90 | 9062.8 | Murai, Takuya; Lu, Wenjie; Kuribayashi, Toshifumi; Morisaki, Kazuhiro; Ueda, Yoshihiro; Hamada, Shohei; Kobayashi, Yusuke; Sasamori, Takahiro; Tokitoh, Norihiro; Kawabata, Takeo; Furuta, Takumi Conformational Control in Dirhodium(II) Paddlewheel Catalysts Supported by Chalcogen-Bonding Interactions for Stereoselective Intramolecular C‒H Insertion Reactions ACS Catalysis, 2020, 568-578 |
4518347 | CIF | C110 H94 N10 O16 Rh2 | P 1 | 10.4116; 15.2831; 16.3622 71.608; 89.077; 85.189 | 2461.74 | Murai, Takuya; Lu, Wenjie; Kuribayashi, Toshifumi; Morisaki, Kazuhiro; Ueda, Yoshihiro; Hamada, Shohei; Kobayashi, Yusuke; Sasamori, Takahiro; Tokitoh, Norihiro; Kawabata, Takeo; Furuta, Takumi Conformational Control in Dirhodium(II) Paddlewheel Catalysts Supported by Chalcogen-Bonding Interactions for Stereoselective Intramolecular C‒H Insertion Reactions ACS Catalysis, 2020, 568-578 |
4518363 | CIF | C29.5 H23 Cl F12 Fe N6 O P2 | C 1 2/c 1 | 20.0016; 18.5063; 18.5977 90; 105.98; 90 | 6618 | Gonell, Sergio; Lloret-Fillol, Julio; Miller, Alexander J. M. An Iron Pyridyl-Carbene Electrocatalyst for Low Overpotential CO2 Reduction to CO ACS Catalysis, 2020, 615-626 |
4518364 | CIF | C31 H27 Cl2 F12.43 Fe N7 P2 | P 1 21/n 1 | 13.7127; 17.4292; 16.0993 90; 107.938; 90 | 3660.72 | Gonell, Sergio; Lloret-Fillol, Julio; Miller, Alexander J. M. An Iron Pyridyl-Carbene Electrocatalyst for Low Overpotential CO2 Reduction to CO ACS Catalysis, 2020, 615-626 |
4518384 | CIF | C44 H54 Cl2 N O3 P Ru | C 1 c 1 | 16.577; 15.944; 15.596 90; 99.187; 90 | 4069.2 | Eivgi, Or; Vaisman, Anna; Lemcoff, N. Gabriel Latent, Yet Highly Active Photoswitchable Olefin Metathesis Precatalysts Bearing Cyclic Alkyl Amino Carbene (CAAC)/Phosphite Ligands ACS Catalysis, 2020, 703-709 |
4518385 | CIF | C59 H60 Cl2 N O3 P Ru | P 1 21/n 1 | 12.6005; 18.784; 21.757 90; 101.619; 90 | 5044.1 | Eivgi, Or; Vaisman, Anna; Lemcoff, N. Gabriel Latent, Yet Highly Active Photoswitchable Olefin Metathesis Precatalysts Bearing Cyclic Alkyl Amino Carbene (CAAC)/Phosphite Ligands ACS Catalysis, 2020, 703-709 |
4518406 | CIF | C18 H15 N O3 | P 1 21/c 1 | 6.7743; 23.418; 8.802 90; 101.248; 90 | 1369.5 | Xin, Luoting; Wan, Wan; Yu, Yinghua; Wan, Qiuling; Ma, Liyao; Huang, Xueliang Construction of Protoberberine Alkaloid Core through Palladium Carbene Bridging C‒H Bond Functionalization and Pyridine Dearomatization ACS Catalysis, 2021, 1570-1577 |
4518407 | CIF | C25 H25 B0 F0 N O2 | P 21 21 21 | 7.1212; 13.75566; 18.96034 90; 90; 90 | 1857.29 | Xin, Luoting; Wan, Wan; Yu, Yinghua; Wan, Qiuling; Ma, Liyao; Huang, Xueliang Construction of Protoberberine Alkaloid Core through Palladium Carbene Bridging C‒H Bond Functionalization and Pyridine Dearomatization ACS Catalysis, 2021, 1570-1577 |
4518411 | CIF | C27 H30 N2 O5 S2 | P -1 | 9.172; 11.675; 12.09 91.099; 93.667; 105.21 | 1245.9 | Zhu, Bo-Han; Zhang, Ying-Qi; Xu, Hao-Jin; Li, Long; Deng, Guo-Cheng; Qian, Peng-Cheng; Deng, Chao; Ye, Long-Wu Regio- and Stereoselective Synthesis of Diverse 3,4-Dihydro-2-quinolones through Catalytic Hydrative Cyclization of Imine- and Carbonyl-Ynamides with Water ACS Catalysis, 2021, 1706-1713 |
4518412 | CIF | C52 H52 Br2 F2 N4 O8 S4 | P 1 21 1 | 12.9016; 9.0322; 12.9338 90; 105.257; 90 | 1454.05 | Zhu, Bo-Han; Zhang, Ying-Qi; Xu, Hao-Jin; Li, Long; Deng, Guo-Cheng; Qian, Peng-Cheng; Deng, Chao; Ye, Long-Wu Regio- and Stereoselective Synthesis of Diverse 3,4-Dihydro-2-quinolones through Catalytic Hydrative Cyclization of Imine- and Carbonyl-Ynamides with Water ACS Catalysis, 2021, 1706-1713 |
4518413 | CIF | C27 H30 Cl2 N2 O4 S2 | P 21 21 21 | 9.35619; 16.99; 17.21824 90; 90; 90 | 2737.04 | Zhu, Bo-Han; Zhang, Ying-Qi; Xu, Hao-Jin; Li, Long; Deng, Guo-Cheng; Qian, Peng-Cheng; Deng, Chao; Ye, Long-Wu Regio- and Stereoselective Synthesis of Diverse 3,4-Dihydro-2-quinolones through Catalytic Hydrative Cyclization of Imine- and Carbonyl-Ynamides with Water ACS Catalysis, 2021, 1706-1713 |
4518414 | CIF | C22.5 H19 Br Cl N O4 S | P -1 | 12.185; 12.529; 14.695 82.566; 83.909; 87.659 | 2211.2 | Zhu, Bo-Han; Zhang, Ying-Qi; Xu, Hao-Jin; Li, Long; Deng, Guo-Cheng; Qian, Peng-Cheng; Deng, Chao; Ye, Long-Wu Regio- and Stereoselective Synthesis of Diverse 3,4-Dihydro-2-quinolones through Catalytic Hydrative Cyclization of Imine- and Carbonyl-Ynamides with Water ACS Catalysis, 2021, 1706-1713 |
4518420 | CIF | C25 H30 N2 O9 | P 21 21 21 | 9.9196; 11.7763; 21.4011 90; 90; 90 | 2499.99 | Ghouilem, Juba; Tran, Christine; Grimblat, Nicolas; Retailleau, Pascal; Alami, Mouad; Gandon, Vincent; Messaoudi, Samir Diastereoselective Pd-Catalyzed Anomeric C(sp3)‒H Activation: Synthesis of α-(Hetero)aryl C-Glycosides ACS Catalysis, 2021, 1818-1826 |
4518421 | CIF | C25 H30 N2 O6 | P 21 21 21 | 10.0246; 11.6273; 21.2713 90; 90; 90 | 2479.36 | Ghouilem, Juba; Tran, Christine; Grimblat, Nicolas; Retailleau, Pascal; Alami, Mouad; Gandon, Vincent; Messaoudi, Samir Diastereoselective Pd-Catalyzed Anomeric C(sp3)‒H Activation: Synthesis of α-(Hetero)aryl C-Glycosides ACS Catalysis, 2021, 1818-1826 |
4518422 | CIF | C19 H19 N O4 S | P 21 21 21 | 8.4774; 10.9811; 18.1554 90; 90; 90 | 1690.11 | Liang, Ren-Xiao; Zhong, Chao; Liu, Zhi-Hong; Yang, Miao; Tang, Heng-Wei; Chen, Jian-Fei; Yang, Yun-Fang; Jia, Yi-Xia Enantioselective Arylation of Tetrasubstituted Enamines: Access to Enantioenriched Indolenine and 1H-Indole Derivatives ACS Catalysis, 2021, 1827-1832 |
4518423 | CIF | C23 H27 N O4 S | P 65 | 9.7067; 9.7067; 39.2119 90; 90; 120 | 3199.57 | Liang, Ren-Xiao; Zhong, Chao; Liu, Zhi-Hong; Yang, Miao; Tang, Heng-Wei; Chen, Jian-Fei; Yang, Yun-Fang; Jia, Yi-Xia Enantioselective Arylation of Tetrasubstituted Enamines: Access to Enantioenriched Indolenine and 1H-Indole Derivatives ACS Catalysis, 2021, 1827-1832 |
4518426 | CIF | C32 H34 O4 Si | P 1 21/c 1 | 9.4521; 26.2261; 11.8032 90; 103.62; 90 | 2843.6 | Ni, Dongshun; Brown, M. Kevin Three-Component Ni-Catalyzed Silylacylation of Alkenes ACS Catalysis, 2021, 1858-1862 |
4518429 | CIF | C34 H29 Cl3 O6 | P 1 21/c 1 | 10.1057; 12.677; 24.493 90; 98.332; 90 | 3104.7 | Koshikawa, Takumi; Nagashima, Yuki; Tanaka, Ken Gold-Catalyzed [3 + 2] Annulation, Carbenoid Transfer, and C‒H Insertion Cascade: Elucidation of Annulation Mechanisms via Benzopyrylium Intermediates ACS Catalysis, 2021, 1932-1937 |
4518430 | CIF | C48 H52 Cl4 N2 O Ru Si | P n a 21 | 15.2754; 28.119; 10.416 90; 90; 90 | 4474 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
4518431 | CIF | C43 H51 Cl4 N3 O3 Ru S | P 1 21/n 1 | 13.6581; 10.7783; 30.3452 90; 96.306; 90 | 4440.1 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
4518432 | CIF | C41 H47 Cl4 N3 O2 Ru S | P b c a | 21.747; 16.485; 23.171 90; 90; 90 | 8307 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
4518433 | CIF | C55 H67 Cl2 N3 O6 Ru S | P -1 | 11.0039; 12.6857; 20.649 101.995; 101.394; 106.335 | 2603.1 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
4518434 | CIF | C42 H44 Cl2 Fe N2 Ru | P -1 | 12.269; 13.206; 13.74 103.978; 96.479; 116.864 | 1862.7 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
4518435 | CIF | C59 H75 Cl4 N3 O7 Ru S | P -1 | 12.58; 13.814; 19.537 90.61; 105.904; 113.609 | 2963.8 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
4518436 | CIF | C48 H51 Cl2 N4 O4 Ru S2 | P 1 21/n 1 | 11.6701; 29.6716; 13.7738 90; 93.446; 90 | 4760.8 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
4518437 | CIF | C41 H52 Cl2 N2 O Ru | P -1 | 10.2526; 12.923; 14.9304 75.27; 77.074; 87.61 | 1864.5 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
4518438 | CIF | C40 H45 Cl4 N3 O2 Ru S | P 1 21/c 1 | 8.471; 26.951; 18.341 90; 97.843; 90 | 4148 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
4518439 | CIF | C46 H55 Cl6 N3 O2 Ru S | P 1 21/n 1 | 15.3127; 13.8064; 22.985 90; 91.3; 90 | 4858.1 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
4518440 | CIF | C43 H51 Cl4 N3 O3 Ru S | P 1 21/n 1 | 13.3662; 19.3514; 18.2778 90; 107.451; 90 | 4510 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
4518441 | CIF | C75 H78 Cl10 N6 O4 Ru2 | P 1 21/n 1 | 19.5436; 16.2686; 25.2292 90; 92.134; 90 | 8016 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
4518442 | CIF | C38 H46 Cl2 N2 Ru | P 1 21 1 | 11.9816; 10.5576; 13.8098 90; 93.972; 90 | 1742.7 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
4518443 | CIF | C41 H42 Cl2 N3 O3 Ru S | P 1 21/c 1 | 10.9001; 16.3943; 21.6403 90; 98.664; 90 | 3823 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
4518444 | CIF | C48 H57 Cl2 N3 O3 Ru S | P 1 21/c 1 | 12.6853; 12.842; 32.754 90; 96.636; 90 | 5300 | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts ACS Catalysis, 2021, 11, 1977-1987 |
4518456 | CIF | C26 H49 Co P2 | P -1 | 10.482; 11.48; 12.182 109.71; 102.2; 98.68 | 1308.9 | Kim, Yeong Bum; Kim, Dongwook; Dighe, Shashikant U.; Chang, Sukbok; Park, Jung-Woo Cobalt-Hydride-Catalyzed Hydrosilylation of 3-Alkynes Accompanying π-Bond Migration ACS Catalysis, 2021, 1548-1553 |
4518457 | CIF | C29 H53 Co P2 | P 1 21/n 1 | 9.289; 9.1; 16.695 90; 91.33; 90 | 1410.8 | Kim, Yeong Bum; Kim, Dongwook; Dighe, Shashikant U.; Chang, Sukbok; Park, Jung-Woo Cobalt-Hydride-Catalyzed Hydrosilylation of 3-Alkynes Accompanying π-Bond Migration ACS Catalysis, 2021, 1548-1553 |
4518458 | CIF | C52 H49 Co P4 | P 1 21/n 1 | 9.8781; 20.7751; 20.9768 90; 92.271; 90 | 4301.4 | Kim, Yeong Bum; Kim, Dongwook; Dighe, Shashikant U.; Chang, Sukbok; Park, Jung-Woo Cobalt-Hydride-Catalyzed Hydrosilylation of 3-Alkynes Accompanying π-Bond Migration ACS Catalysis, 2021, 1548-1553 |
4518459 | CIF | C26 H48 Co I2 P2 | P 21 21 21 | 9.1792; 13.8808; 23.1857 90; 90; 90 | 2954.2 | Kim, Yeong Bum; Kim, Dongwook; Dighe, Shashikant U.; Chang, Sukbok; Park, Jung-Woo Cobalt-Hydride-Catalyzed Hydrosilylation of 3-Alkynes Accompanying π-Bond Migration ACS Catalysis, 2021, 1548-1553 |
4518460 | CIF | C37 H35 F N2 O7 | P 21 21 21 | 16.485; 24.296; 24.715 90; 90; 90 | 9899 | Tang, Xiaodong; Tan, Chuan Xiang Alvin; Chan, Wai-Lun; Zhang, Fuhao; Zheng, Wenrui; Lu, Yixin Dielectrophilic Allenic Ketone-Enabled [4 + 2] Annulation with 3,3’-Bisoxindoles: Enantioselective Creation of Two Contiguous Quaternary Stereogenic Centers ACS Catalysis, 2021, 1361-1367 |
4518461 | CIF | C14 H15 N O | P 1 21/n 1 | 13.9071; 9.5864; 16.966 90; 100.194; 90 | 2226.2 | Mo, Jiayu; Messinis, Antonis M.; Oliveira, João C. A.; Demeshko, Serhiy; Meyer, Franc; Ackermann, Lutz Iron-Catalyzed Triazole-Enabled C‒H Activation with Bicyclopropylidenes ACS Catalysis, 2021, 1053-1064 |
4518462 | CIF | C36 H51 Br O2 | P 21 21 21 | 5.781; 9.7023; 56.176 90; 90; 90 | 3150.9 | Dang, Hang T.; Nguyen, Viet D.; Haug, Graham C.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V. Z-Selective Dienylation Enables Stereodivergent Construction of Dienes and Unravels a Ligand-Driven Mechanistic Dichotomy ACS Catalysis, 2021, 1042-1052 |
4518463 | CIF | C11 H9 N | P 21 21 21 | 4.6608; 8.0082; 22.8683 90; 90; 90 | 853.55 | Dang, Hang T.; Nguyen, Viet D.; Haug, Graham C.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V. Z-Selective Dienylation Enables Stereodivergent Construction of Dienes and Unravels a Ligand-Driven Mechanistic Dichotomy ACS Catalysis, 2021, 1042-1052 |
4518464 | CIF | C15 H11 N | P 1 21/n 1 | 10.3922; 8.5924; 13.4648 90; 112.087; 90 | 1114.09 | Dang, Hang T.; Nguyen, Viet D.; Haug, Graham C.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V. Z-Selective Dienylation Enables Stereodivergent Construction of Dienes and Unravels a Ligand-Driven Mechanistic Dichotomy ACS Catalysis, 2021, 1042-1052 |
4518465 | CIF | C13 H10 O2 | P 1 21/c 1 | 11.807; 11.5282; 7.74435 90; 108.688; 90 | 998.54 | Dang, Hang T.; Nguyen, Viet D.; Haug, Graham C.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V. Z-Selective Dienylation Enables Stereodivergent Construction of Dienes and Unravels a Ligand-Driven Mechanistic Dichotomy ACS Catalysis, 2021, 1042-1052 |
4518466 | CIF | C12 H10 N2 | P 1 21/c 1 | 16.6487; 5.1944; 11.2609 90; 101.125; 90 | 955.54 | Dang, Hang T.; Nguyen, Viet D.; Haug, Graham C.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V. Z-Selective Dienylation Enables Stereodivergent Construction of Dienes and Unravels a Ligand-Driven Mechanistic Dichotomy ACS Catalysis, 2021, 1042-1052 |
4518467 | CIF | C63 H98 Ag2 O6 P2 | P b c a | 16.8262; 19.3356; 41.108 90; 90; 90 | 13374.3 | Tlahuext-Aca, Adrian; Hartwig, John F. Site-Selective Silver-Catalyzed C‒H Bond Deuteration of Five-Membered Aromatic Heterocycles and Pharmaceuticals ACS Catalysis, 2021, 1119-1127 |
4518468 | CIF | C18 H17 N O S2 | P 1 21/n 1 | 5.591; 21.778; 12.608 90; 99.18; 90 | 1515.5 | Wang, Rong-Hua; Li, Jiang-Fei; Li, Yue; Qi, Shao-Long; Zhang, Tao; Luan, Yu-Xin; Ye, Mengchun Selective C(sp3)‒H Cleavage of Enamides for Synthesis of 2-Pyridones via Ligand-Enabled Ni‒Al Bimetallic Catalysis ACS Catalysis, 2021, 11, 858-864 |
4518469 | CIF | C32 H40 I N3 O5 S | P 1 21 1 | 12.5558; 12.2352; 21.214 90; 91.478; 90 | 3257.9 | Zhang, Yueteng; Ji, Peng; Gao, Feng; Huang, He; Zeng, Fanxun; Wang, Wei Photoredox Asymmetric Nucleophilic Dearomatization of Indoles with Neutral Radicals ACS Catalysis, 2021, 11, 998-1007 |
4518470 | CIF | C27 H28 N2 O5 S | C 1 2 1 | 22.7379; 7.3689; 14.3911 90; 91.61; 90 | 2410.3 | Zhang, Yueteng; Ji, Peng; Gao, Feng; Huang, He; Zeng, Fanxun; Wang, Wei Photoredox Asymmetric Nucleophilic Dearomatization of Indoles with Neutral Radicals ACS Catalysis, 2021, 11, 998-1007 |
4518471 | CIF | C19 H2 B F13 | P 1 21/a 1 | 9.912; 17.662; 10.435 90; 114.281; 90 | 1665.2 | Nakashima, Tomoya; Nakayama, Yuushou; Shiono, Takeshi; Tanaka, Ryo Neutral, Noncoordinating, and Hydrocarbon-Soluble Protic Cocatalyst for Olefin Polymerization ACS Catalysis, 2021, 11, 865-870 |
4518472 | CIF | C13 H3 B F8 O | P 1 21/c 1 | 16.0009; 4.7685; 16.6499 90; 116.991; 90 | 1132.02 | Nakashima, Tomoya; Nakayama, Yuushou; Shiono, Takeshi; Tanaka, Ryo Neutral, Noncoordinating, and Hydrocarbon-Soluble Protic Cocatalyst for Olefin Polymerization ACS Catalysis, 2021, 11, 865-870 |
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