Crystallography Open Database
Search results
Result: there are 2395 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'ACS catalysis'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4513439 | CIF | C54 H47 N4 O7 | P 21 21 21 | 12.3766; 16.424; 28.578 90; 90; 90 | 5809.1 | Alcaide, Benito; Almendros, Pedro; Fernández, Israel; Martín-Montero, Raúl; Martínez-Peña, Francisco; Ruiz, M. Pilar; Torres, M. Rosario Gold-Catalyzed Reactivity Reversal of Indolizidinone-Tethered β-Amino Allenes Controlled by the Stereochemistry ACS Catalysis, 2015, 5, 4842 |
| 4513440 | CIF | C22 H22 N2 O3 | P 1 21 1 | 10.202; 7.487; 11.933 90; 100.922; 90 | 895 | Alcaide, Benito; Almendros, Pedro; Fernández, Israel; Martín-Montero, Raúl; Martínez-Peña, Francisco; Ruiz, M. Pilar; Torres, M. Rosario Gold-Catalyzed Reactivity Reversal of Indolizidinone-Tethered β-Amino Allenes Controlled by the Stereochemistry ACS Catalysis, 2015, 5, 4842 |
| 4513441 | CIF | C22 H16 F3 N O3 S | C 1 2/c 1 | 40.887; 9.2404; 27.6197 90; 131.709; 90 | 7790.1 | Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong Cooperative C(sp3)–H and C(sp2)–H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts ACS Catalysis, 2015, 5, 4837 |
| 4513442 | CIF | C21 H16 B F4 N | P 21 21 21 | 6.1068; 15.2343; 18.4646 90; 90; 90 | 1717.81 | Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong Cooperative C(sp3)–H and C(sp2)–H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts ACS Catalysis, 2015, 5, 4837 |
| 4513443 | CIF | C21 H16 F6 N Sb | C 1 2/c 1 | 13.0833; 9.1095; 33.015 90; 91.371; 90 | 3933.7 | Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts ACS Catalysis, 2015, 5, 4837 |
| 4513454 | CIF | C15 H13 Br N2 | P 41 | 15.9607; 15.9607; 5.4313 90; 90; 90 | 1383.59 | Zhang, De-Yang; Shao, Long; Xu, Jie; Hu, Xiang-Ping Copper-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Propargylic Acetates with Hydrazines: Enantioselective Synthesis of Optically Active 2-Pyrazolines ACS Catalysis, 2015, 5, 5026 |
| 4513487 | CIF | C38 H46 Au N3 O2 | P 1 21/n 1 | 9.1636; 36.3601; 21.4472 90; 97.684; 90 | 7081.8 | Hase, Shun; Kayaki, Yoshihito; Ikariya, Takao Mechanistic Aspects of the Carboxylative Cyclization of Propargylamines and Carbon Dioxide Catalyzed by Gold(I) Complexes Bearing anN-Heterocyclic Carbene Ligand ACS Catalysis, 2015, 5, 5135 |
| 4513497 | CIF | C39 H14 Cl6 Cu F10 N5 O2 | P -1 | 10.2256; 13.2327; 15.2136 75.791; 82.911; 77.348 | 1941.9 | Lei, Haitao; Fang, Huayi; Han, Yongzhen; Lai, Wenzhen; Fu, Xuefeng; Cao, Rui Reactivity and Mechanism Studies of Hydrogen Evolution Catalyzed by Copper Corroles ACS Catalysis, 2015, 5, 5145 |
| 4513498 | CIF | C39 H12 Cl4 Cu F15 N4 | P 1 21/c 1 | 13.6323; 13.187; 21.0645 90; 105.96; 90 | 3640.78 | Lei, Haitao; Fang, Huayi; Han, Yongzhen; Lai, Wenzhen; Fu, Xuefeng; Cao, Rui Reactivity and Mechanism Studies of Hydrogen Evolution Catalyzed by Copper Corroles ACS Catalysis, 2015, 5, 5145 |
| 4513610 | CIF | C20 H20 Cl N O4 | P 21 21 21 | 8.1602; 11.357; 20.59 90; 90; 90 | 1908.2 | Bai, Xing-Feng; Xu, Zheng; Xia, Chun-Gu; Zheng, Zhan-Jiang; Xu, Li-Wen Aromatic-Amide-Derived Nonbiaryl Atropisomer as Highly Efficient Ligand for Asymmetric Silver-Catalyzed [3 + 2] Cycloaddition ACS Catalysis, 2015, 5, 6016 |
| 4513611 | CIF | C25 H23 N O3 | P 1 21 1 | 6.0364; 17.033; 10.4225 90; 102.271; 90 | 1047.1 | Bai, Xing-Feng; Xu, Zheng; Xia, Chun-Gu; Zheng, Zhan-Jiang; Xu, Li-Wen Aromatic-Amide-Derived Nonbiaryl Atropisomer as Highly Efficient Ligand for Asymmetric Silver-Catalyzed [3 + 2] Cycloaddition ACS Catalysis, 2015, 5, 6016 |
| 4513656 | CIF | C29 H27 N O6 S | C 1 2 1 | 27.301; 8.7461; 10.8469 90; 96.239; 90 | 2574.7 | Hao, Xiaoyu; Lin, Lili; Tan, Fei; Yin, Chengkai; Liu, Xiaohua; Feng, Xiaoming Ligand Control of Diastereodivergency in Asymmetric Inverse Electron Demand Diels–Alder Reaction ACS Catalysis, 2015, 5, 6052 |
| 4513657 | CIF | C29 H27 N O6 S | P 21 21 21 | 12.1813; 12.9222; 16.9425 90; 90; 90 | 2666.9 | Hao, Xiaoyu; Lin, Lili; Tan, Fei; Yin, Chengkai; Liu, Xiaohua; Feng, Xiaoming Ligand Control of Diastereodivergency in Asymmetric Inverse Electron Demand Diels–Alder Reaction ACS Catalysis, 2015, 5, 6052 |
| 4513663 | CIF | C32 H42 Ag N2 | C 1 2/c 1 | 16.043; 6.7774; 27.121 90; 94.443; 90 | 2940 | Liu, Qilun; Yuan, Zheliang; Wang, Hao-yang; Li, Yang; Wu, Yichen; Xu, Tao; Leng, Xuebing; Chen, Pinhong; Guo, Yin-long; Lin, Zhenyang; Liu, Guosheng Abnormal Mesoionic Carbene Silver Complex: Synthesis, Reactivity, and Mechanistic Insight on Oxidative Fluorination ACS Catalysis, 2015, 5, 6732 |
| 4513664 | CIF | C32 H40 Ag F2 N3 O3 | C 1 2/c 1 | 30.342; 14.1754; 27.882 90; 98.13; 90 | 11872 | Liu, Qilun; Yuan, Zheliang; Wang, Hao-yang; Li, Yang; Wu, Yichen; Xu, Tao; Leng, Xuebing; Chen, Pinhong; Guo, Yin-long; Lin, Zhenyang; Liu, Guosheng Abnormal Mesoionic Carbene Silver Complex: Synthesis, Reactivity, and Mechanistic Insight on Oxidative Fluorination ACS Catalysis, 2015, 5, 6732 |
| 4513677 | CIF | C25 H28 Cr N O4 P | P 21 21 21 | 10.0194; 14.8755; 33.308 90; 90; 90 | 4964.3 | Radcliffe, James E.; Batsanov, Andrei S.; Smith, David M.; Scott, John A.; Dyer, Philip W.; Hanton, Martin J. Phosphanyl Methanimine (PCN) Ligands for the Selective Trimerization/Tetramerization of Ethylene with Chromium ACS Catalysis, 2015, 5, 7095 |
| 4513678 | CIF | C29 H36 Cr N O4 P | P 1 21/n 1 | 11.79138; 14.69577; 16.3394 90; 94.4771; 90 | 2822.71 | Radcliffe, James E.; Batsanov, Andrei S.; Smith, David M.; Scott, John A.; Dyer, Philip W.; Hanton, Martin J. Phosphanyl Methanimine (PCN) Ligands for the Selective Trimerization/Tetramerization of Ethylene with Chromium ACS Catalysis, 2015, 5, 7095 |
| 4513679 | CIF | C32 H38 Cl3 N P2 Pd S | P b c a | 11.77; 16.605; 35.069 90; 90; 90 | 6854 | Sui, Xuelin; Dai, Shengyu; Chen, Changle Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes ACS Catalysis, 2015, 5, 5932 |
| 4513680 | CIF | C31 H36 Cl N O P2 Pd | C 1 c 1 | 12.1032; 15.8942; 16.1513 90; 106.192; 90 | 2983.8 | Sui, Xuelin; Dai, Shengyu; Chen, Changle Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes ACS Catalysis, 2015, 5, 5932 |
| 4513735 | CIF | C29 H32 N2 O2 | P 1 21/n 1 | 8.6895; 9.8563; 30.266 90; 94.399; 90 | 2584.5 | Kuai, Changsheng; Wang, Lianhui; Cui, Haoyi; Shen, Jinhai; Feng, Yadong; Cui, Xiuling Efficient and Selective Synthesis of (E)-Enamides via Ru(II)-Catalyzed Hydroamidation of Internal Alkynes ACS Catalysis, 2016, 6, 186 |
| 4513736 | CIF | C23 H20 N2 O | P 1 21/n 1 | 12.864; 9.812; 13.652 90; 92.938; 90 | 1720.9 | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C–H Bond Functionalization ACS Catalysis, 2016, 6, 451 |
| 4513737 | CIF | C18 H11 F5 N2 O2 | P 1 21/c 1 | 11.342; 6.528; 21.294 90; 95.503; 90 | 1569.4 | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C–H Bond Functionalization ACS Catalysis, 2016, 6, 451 |
| 4513738 | CIF | C21 H21 N3 | P -1 | 7.784; 10.507; 11.117 106.154; 96.466; 97.82 | 854.3 | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C–H Bond Functionalization ACS Catalysis, 2016, 6, 451 |
| 4513739 | CIF | C25 H19 F N2 O2 | P 1 21/n 1 | 12.243; 7.246; 21.867 90; 105.022; 90 | 1873.6 | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C–H Bond Functionalization ACS Catalysis, 2016, 6, 451 |
| 4513740 | CIF | C18 H15 Br N2 O2 | P 1 21/n 1 | 10.221; 6.258; 24.249 90; 97.531; 90 | 1537.7 | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C–H Bond Functionalization ACS Catalysis, 2016, 6, 451 |
| 4513741 | CIF | C25.57 H21.14 Cl1.13 N2 O2 | P 1 21 1 | 12.2626; 7.2788; 12.3394 90; 104.51; 90 | 1066.25 | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization ACS Catalysis, 2016, 6, 451 |
| 4513742 | CIF | C20 H18 N2 O2 | P 1 c 1 | 5.238; 12.589; 11.597 90; 91.334; 90 | 764.5 | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C–H Bond Functionalization ACS Catalysis, 2016, 6, 451 |
| 4513743 | CIF | C18 H14 Br N3 | P 1 21/c 1 | 8.6369; 26.751; 6.9978 90; 106.79; 90 | 1547.89 | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C–H Bond Functionalization ACS Catalysis, 2016, 6, 451 |
| 4513744 | CIF | C19 H18 N2 O2 | P 1 21/c 1 | 9.882; 36.918; 8.62 90; 99.99; 90 | 3097.1 | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C–H Bond Functionalization ACS Catalysis, 2016, 6, 451 |
| 4513745 | CIF | C26 H22 N2 O3 | P 1 21/n 1 | 12.352; 7.361; 22.122 90; 98.421; 90 | 1989.7 | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C–H Bond Functionalization ACS Catalysis, 2016, 6, 451 |
| 4513746 | CIF | C20 H18 N2 O2 | P 1 21 1 | 11.035; 6.9; 11.373 90; 115.012; 90 | 784.75 | Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C. Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C–H Bond Functionalization ACS Catalysis, 2016, 6, 451 |
| 4513747 | CIF | C22 H13 F5 N4 O2 | P 1 21 1 | 7.91984; 7.77745; 16.8551 90; 101.445; 90 | 1017.57 | Xu, Yali; Liao, Yuting; Lin, Lili; Zhou, Yuhang; Li, Jun; Liu, Xiaohua; Feng, Xiaoming Catalytic Asymmetric Inverse-Electron Demand 1,3-Dipolar Cycloaddition of Isoquinolinium Methylides with Enecarbamates by a ChiralN,N′-Dioxide/Ag(I) Complex ACS Catalysis, 2016, 6, 589 |
| 4513748 | CIF | C23.73 H18.45 Cl0.7 N O3.12 S | P 21 21 2 | 9.7227; 23.8357; 8.7364 90; 90; 90 | 2024.6 | Izquierdo, Javier; Pericàs, Miquel A. A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow ACS Catalysis, 2016, 6, 348 |
| 4513749 | CIF | C30 H25 N O3 S | P 1 21 1 | 5.9234; 17.5385; 11.7578 90; 95.5438; 90 | 1215.78 | Izquierdo, Javier; Pericàs, Miquel A. A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow ACS Catalysis, 2016, 6, 348 |
| 4513750 | CIF | C19 H16 N2 O S | P 21 21 21 | 9.8811; 10.2565; 15.4749 90; 90; 90 | 1568.31 | Izquierdo, Javier; Pericàs, Miquel A. A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow ACS Catalysis, 2016, 6, 348 |
| 4513751 | CIF | C22 H19 F N2 O | P b c a | 13.5231; 13.1489; 19.3467 90; 90; 90 | 3440.1 | Hiramatsu, Kenichi; Honjo, Takashi; Rauniyar, Vivek; Toste, F. Dean Enantioselective Synthesis of Fluoro-Dihydroquinazolones and -Benzooxazinones by Fluorination-Initiated Asymmetric Cyclization Reactions. ACS catalysis, 2015, 6, 151-154 |
| 4513752 | CIF | C12 H15 F N2 O | P 1 21 1 | 7.6084; 6.4312; 11.7689 90; 103.627; 90 | 559.66 | Hiramatsu, Kenichi; Honjo, Takashi; Rauniyar, Vivek; Toste, F. Dean Enantioselective Synthesis of Fluoro-Dihydroquinazolones and -Benzooxazinones by Fluorination-Initiated Asymmetric Cyclization Reactions. ACS catalysis, 2015, 6, 151-154 |
| 4513753 | CIF | C13 H4 F5 N S | P 1 21/c 1 | 14.407; 7.3079; 11.1275 90; 109.808; 90 | 1102.24 | Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis ACS Catalysis, 2016, 6, 369 |
| 4513754 | CIF | C12 H6 F4 | P 1 21/c 1 | 12.8062; 5.84755; 12.6869 90; 105.223; 90 | 916.72 | Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis ACS Catalysis, 2016, 6, 369 |
| 4513755 | CIF | C13 H5 F7 | P 21 21 21 | 5.92801; 7.5738; 23.6364 90; 90; 90 | 1061.22 | Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis ACS Catalysis, 2016, 6, 369 |
| 4513756 | CIF | C12 H5 F5 | C 2 2 21 | 5.80768; 20.9642; 7.68611 90; 90; 90 | 935.81 | Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis ACS Catalysis, 2016, 6, 369 |
| 4513757 | CIF | C37 H40 Br N O3 | P 21 21 21 | 10.038; 15.921; 20.131 90; 90; 90 | 3217.2 | He, Fu-Sheng; Jin, Jing-Hai; Yang, Zhong-Tao; Yu, Xingxin; Fossey, John S.; Deng, Wei-Ping Direct Asymmetric Synthesis of β-Bis-Aryl-α-Amino Acid Esters via Enantioselective Copper-Catalyzed Addition ofp-Quinone Methides ACS Catalysis, 2016, 6, 652 |
| 4513758 | CIF | C22 H20 F3 N O | P b c a | 19.0615; 9.325; 20.7194 90; 90; 90 | 3682.8 | Yu, Liu-Zhu; Xu, Qin; Tang, Xiang-Yiang; Shi, Min Iron- or Copper-Catalyzed Trifluoromethylation of Acrylamide-Tethered Alkylidenecyclopropanes: Facile Synthesis of CF3-Containing Polycyclic Benzazepine Derivatives ACS Catalysis, 2016, 6, 526 |
| 4513759 | CIF | C36 H44 Er N O Si2 | P 1 21/c 1 | 16.5508; 9.9149; 20.9543 90; 100.391; 90 | 3382.2 | Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization ACS Catalysis, 2016, 6, 176 |
| 4513760 | CIF | C36 H44 Gd N O Si2 | P 1 21/c 1 | 16.5847; 9.9933; 21.0068 90; 100.271; 90 | 3425.8 | Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization ACS Catalysis, 2016, 6, 176 |
| 4513761 | CIF | C36 H44 N Nd O Si2 | P 1 21/c 1 | 16.5572; 10.0221; 21.0296 90; 100.37; 90 | 3432.6 | Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization ACS Catalysis, 2016, 6, 176 |
| 4513762 | CIF | C31 H44 N O Pr Si2 | P 1 21/c 1 | 14.6913; 11.3369; 19.4321 90; 95.729; 90 | 3220.3 | Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization ACS Catalysis, 2016, 6, 176 |
| 4513763 | CIF | C19 H24 Cl F6 N3 P Rh | P -1 | 7.8557; 11.6834; 13.6223 103.37; 94.785; 101.888 | 1178.97 | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis, 2015, 709 |
| 4513764 | CIF | C20 H26 Cl F6 N3 O P Rh | P c a 21 | 15.666; 7.2906; 21.328 90; 90; 90 | 2436 | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis, 2015, 709 |
| 4513765 | CIF | C25 H29 Cl F6 N4 P Rh | C 1 2/c 1 | 30.566; 8.1625; 22.272 90; 98.215; 90 | 5499.7 | Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules ACS Catalysis, 2015, 709 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!