Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1540552 | CIF | C198 H149 F48 N39 O64 Re4 S16 Zn9 | P 1 21/c 1 | 38.4811; 22.233; 33.8318 90; 115.636; 90 | 26095.5 | Wood, Christopher; Ronson, Tanya; McConnell, Anna; Roberts, Derrick A.; Nitschke, Jonathan Dual stimuli-induced formation of a μ-hydroxido bridged [Zn9L5(μ-OH)6]12+half-pipe Chem. Sci., 2015 |
| 1540553 | CIF | C18 H20 N2 O5 S | P 1 21 1 | 6.7708; 15.0499; 18.2635 90; 98.942; 90 | 1838.43 | Oda, Susumu; Franke, Jana; Krische, Michael J. Diene hydroaminomethylation via ruthenium-catalyzed C–C bond forming transfer hydrogenation: beyond carbonylation Chem. Sci., 2016, 7, 136 |
| 1540554 | CIF | C40 H56 B P | P -1 | 10.311; 18.895; 20.77 69.618; 85.946; 76.898 | 3694.3 | Takamizawa, Satoshi; Takasaki, Yuichi Shape-memory effect in an organosuperelastic crystal Chem. Sci., 2016, 7, 1527 |
| 1540555 | CIF | C40 H56 B P | P -1 | 10.5582; 19.131; 20.915 68.892; 85.501; 77.175 | 3842.8 | Takamizawa, Satoshi; Takasaki, Yuichi Shape-memory effect in an organosuperelastic crystal Chem. Sci., 2016, 7, 1527 |
| 1540556 | CIF | C40 H56 B P | P 1 21/n 1 | 12.1401; 36.975; 17.688 90; 102.611; 90 | 7748.2 | Takamizawa, Satoshi; Takasaki, Yuichi Shape-memory effect in an organosuperelastic crystal Chem. Sci., 2016, 7, 1527 |
| 1540557 | CIF | C40 H56 B P | P -1 | 10.1868; 18.7141; 20.7566 70.748; 86.972; 76.006 | 3623.3 | Takamizawa, Satoshi; Takasaki, Yuichi Shape-memory effect in an organosuperelastic crystal Chem. Sci., 2016, 7, 1527 |
| 1540558 | CIF | C40.75 H30.5 Au Cl1.5 Cr N O9 P S | P -1 | 13.4225; 14.2249; 24.728 74.619; 89.572; 62.126 | 3986.3 | Applegate, Jason C.; Okeowo, Monisola K.; Erickson, Nathan R.; Neal, Brad M.; Berrie, Cindy L.; Gerasimchukand, Nikolay N.; Barybin, Mikhail V. First π-linker featuring mercapto and isocyano anchoring groups within the same molecule: Synthesis, heterobimetallic complexation and self-assembly on Au(111). Chemical science (Royal Society of Chemistry : 2010), 2016, 7, 1422-1429 |
| 1540559 | CIF | C15 H13 N | P 21 21 21 | 6.8195; 8.3525; 20.053 90; 90; 90 | 1142.2 | Kanchupalli, Vinaykumar; Joseph, Desna; Katukojvala, Sreenivas Pyridazine N-Oxides as Precursors of Metallocarbenes: Rhodium-Catalyzed Transannulation with Pyrroles. Organic letters, 2015, 17, 5878-5881 |
| 1540560 | CIF | C64.5 H54 Cl8 I3 O2 Os P3 | P 1 21/c 1 | 12.9311; 22.2426; 23.2785 90; 102.771; 90 | 6529.8 | Luo, Ming; Zhu, Congqing; Chen, Lina; Zhang, Hong; Xia, Haiping Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion Chem. Sci., 2016, 7, 1815 |
| 1540561 | CIF | C64 H53 Br8 Cl2 O2 Os P3 | P 1 21/c 1 | 13.0217; 22.2992; 23.1406 90; 102.857; 90 | 6551 | Luo, Ming; Zhu, Congqing; Chen, Lina; Zhang, Hong; Xia, Haiping Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion Chem. Sci., 2016, 7, 1815 |
| 1540562 | CIF | C42 H53 Dy N2 O P2 Si2 | P 1 21/m 1 | 10.47242; 19.20658; 10.61743 90; 94.0778; 90 | 2130.18 | Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T. A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour Chem. Sci., 2016, 7, 155 |
| 1540563 | CIF | C62 H77 N4 P4 Si4 Y | C 1 2/c 1 | 31.667; 25.7439; 20.938 90; 132.786; 90 | 12527 | Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T. A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour Chem. Sci., 2016, 7, 155 |
| 1540564 | CIF | C62 H77 Dy N4 P4 Si4 | C 1 2/c 1 | 31.7145; 25.723; 20.9468 90; 132.69; 90 | 12560.4 | Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T. A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour Chem. Sci., 2016, 7, 155 |
| 1540565 | CIF | C90 H132 K N4 O10 P4 Si4 Y | P -1 | 15.1169; 15.282; 21.1716 98.667; 94.975; 93.716 | 4801.8 | Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T. A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour Chem. Sci., 2016, 7, 155 |
| 1540566 | CIF | C90 H132 Dy K N4 O10 P4 Si4 | P -1 | 15.1483; 15.3041; 21.1587 98.844; 95.182; 93.576 | 4812.6 | Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T. A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour Chem. Sci., 2016, 7, 155 |
| 1540567 | CIF | C148 H170 Au25 O2 S36 | P -1 | 16.174; 17.746; 17.83 65; 64; 81 | 4166 | Tofanelli, Marcus A.; Salorinne, Kirsi; Ni, Thomas W.; Malola, Sami; Newell, Brian; Phillips, Billy; Häkkinen, Hannu; Ackerson, Christopher J. Jahn‒Teller effects in Au25(SR)18 Chem. Sci., 2016, 7, 1882 |
| 1540568 | CIF | C144 H180 Au25 F6 P S18 | P -1 | 16.8533; 17.775; 18.2364 93.765; 114.867; 112.147 | 4424.4 | Tofanelli, Marcus A.; Salorinne, Kirsi; Ni, Thomas W.; Malola, Sami; Newell, Brian; Phillips, Billy; Häkkinen, Hannu; Ackerson, Christopher J. Jahn‒Teller effects in Au25(SR)18 Chem. Sci., 2016, 7, 1882 |
| 1540569 | CIF | C17 H11 F3 N2 O3 | P 1 21/c 1 | 13.835; 14.066; 7.7299 90; 97.446; 90 | 1491.6 | Fugard, Alison J.; Thompson, Bethany K.; Slawin, Alexandra M. Z.; Taylor, James E.; Smith, Andrew D. Organocatalytic Synthesis of Fused Bicyclic 2,3-Dihydro-1,3,4-oxadiazoles through an Intramolecular Cascade Cyclization. Organic letters, 2015, 17, 5824-5827 |
| 1540570 | CIF | C36.42 H45.33 N8 O15.23 Zr | P 1 21/c 1 | 19.6642; 12.5427; 16.2481 90; 91.706; 90 | 4005.7 | Deri, Melissa A.; Ponnala, Shashikanth; Kozlowski, Paul; Burton-Pye, Benjamin P; Cicek, Huseyin T.; Hu, Chunhua; Lewis, Jason S.; Francesconi, Lynn C. p-SCN-Bn-HOPO: A Superior Bifunctional Chelator for (89)Zr ImmunoPET. Bioconjugate chemistry, 2015, 26, 2579-2591 |
| 1540571 | CIF | C11 H14 N2 | P n m a | 8.917; 7.6126; 15.0884 90; 90; 90 | 1024.22 | Druzhinin, Sergey I.; Galievsky, Victor A.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Dubbaka, Srinivas R.; Knochel, Paul; Mayer, Peter; Grosse, Christian; Stalke, Dietmar; Zachariasse, Klaas A. Two-State Intramolecular Charge Transfer (ICT) with 3,5-Dimethyl-4-(dimethylamino)benzonitrile (MMD) and Its Meta-Isomer mMMD. Ground State Amino Twist Not Essential for ICT. The journal of physical chemistry. A, 2015, 119, 11820-11836 |
| 1540572 | CIF | C15 H22 N2 | P 1 21 1 | 8.4033; 8.2068; 10.092 90; 92.33; 90 | 695.4 | Druzhinin, Sergey I.; Galievsky, Victor A.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Dubbaka, Srinivas R.; Knochel, Paul; Mayer, Peter; Grosse, Christian; Stalke, Dietmar; Zachariasse, Klaas A. Two-State Intramolecular Charge Transfer (ICT) with 3,5-Dimethyl-4-(dimethylamino)benzonitrile (MMD) and Its Meta-Isomer mMMD. Ground State Amino Twist Not Essential for ICT. The journal of physical chemistry. A, 2015, 119, 11820-11836 |
| 1540573 | CIF | C12 H12 N2 | P -1 | 6.575; 7.956; 9.875 90.42; 107.21; 101.99 | 481.4 | Druzhinin, Sergey I.; Galievsky, Victor A.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Dubbaka, Srinivas R.; Knochel, Paul; Mayer, Peter; Grosse, Christian; Stalke, Dietmar; Zachariasse, Klaas A. Two-State Intramolecular Charge Transfer (ICT) with 3,5-Dimethyl-4-(dimethylamino)benzonitrile (MMD) and Its Meta-Isomer mMMD. Ground State Amino Twist Not Essential for ICT. The journal of physical chemistry. A, 2015, 119, 11820-11836 |
| 1540574 | CIF | C15 H11 N O3 | P 1 21/n 1 | 12.134; 7.418; 26.1516 90; 91.845; 90 | 2352.69 | Tomás-Mendivil, Eder; Starck, Jérôme; Ortuno, Jean-Claude; Michelet, Véronique Synthesis of Functionalized 1H-Isochromene Derivatives via a Au-Catalyzed Domino Cycloisomerization/Reduction Approach. Organic letters, 2015, 17, 6126-6129 |
| 1540575 | CIF HKL | Ca Gd2 Mo4 O16 | I 41/a :2 | 5.22344; 5.22344; 11.50019 90; 90; 90 | 313.77 | Chang Sung Lim; Victor Atuchin; Aleksandr Aleksandrovsky; Maxim Molokeev; Aleksandr Oreshonkov Microwave sol-gel synthesis of CaGd2(MoO4)4:Er3+/Yb3+ phosphors and their upconversion photoluminescence properties Journal of the American Ceramic Society, 2015, 98, 3223-3230 |
| 1540576 | CIF HKL | Ca Er0.2 Gd1.8 Mo4 O16 | I 41/a :2 | 5.21601; 5.21601; 11.4875 90; 90; 90 | 312.54 | Chang Sung Lim; Victor Atuchin; Aleksandr Aleksandrovsky; Maxim Molokeev; Aleksandr Oreshonkov Microwave sol-gel synthesis of CaGd2(MoO4)4:Er3+/Yb3+ phosphors and their upconversion photoluminescence properties Journal of the American Ceramic Society, 2015, 98, 3223-3230 |
| 1540577 | CIF HKL | Ca Er0.1 Gd1.7 Mo4 O16 Yb0.2 | I 41/a :2 | 5.21412; 5.21412; 11.48095 90; 90; 90 | 312.13 | Chang Sung Lim; Victor Atuchin; Aleksandr Aleksandrovsky; Maxim Molokeev; Aleksandr Oreshonkov Microwave sol-gel synthesis of CaGd2(MoO4)4:Er3+/Yb3+ phosphors and their upconversion photoluminescence properties Journal of the American Ceramic Society, 2015, 98, 3223-3230 |
| 1540578 | CIF HKL | Ca Er0.05 Gd1.5 Mo4 O16 Yb0.45 | I 41/a :2 | 5.21103; 5.21103; 11.47435 90; 90; 90 | 311.58 | Chang Sung Lim; Victor Atuchin; Aleksandr Aleksandrovsky; Maxim Molokeev; Aleksandr Oreshonkov Microwave sol-gel synthesis of CaGd2(MoO4)4:Er3+/Yb3+ phosphors and their upconversion photoluminescence properties Journal of the American Ceramic Society, 2015, 98, 3223-3230 |
| 1540579 | CIF | C26 H29 F3 N2 O5 | P 21 21 21 | 7.9683; 12.0495; 25.4584 90; 90; 90 | 2444.36 | Ozawa, Jun; Tashiro, Masayuki; Ni, Jizhi; Oisaki, Kounosuke; Kanai, Motomu Chemo- and regioselective oxygenation of C(sp3)–H bonds in aliphatic alcohols using a covalently bound directing activator and atmospheric oxygen Chem. Sci., 2016, 7, 1904 |
| 1540580 | CIF | C34 H30 O2 | P 65 | 26.2091; 26.2091; 6.7076 90; 90; 120 | 3990.3 | Kumar, Ravindra; Tokura, Hiromu; Nishimura, Akira; Mori, Tadashi; Hoshimoto, Yoichi; Ohashi, Masato; Ogoshi, Sensuke Nickel(0)/N-Heterocyclic Carbene-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of Two Enones and an Alkyne: Access to Cyclohexenes with Four Contiguous Stereogenic Centers. Organic letters, 2015, 17, 6018-6021 |
| 1540581 | CIF | C23 H34 N2 O | P -1 | 6.1983; 9.7636; 17.0724 75.866; 84.107; 87.755 | 996.5 | Race, Nicholas J.; Faulkner, Adele; Shaw, Megan H.; Bower, John F. Dichotomous mechanistic behavior in Narasaka–Heck cyclizations: electron rich Pd-catalysts generate iminyl radicals Chem. Sci., 2016, 7, 1508 |
| 1540582 | CIF | C26.75 H24 F3 N O2 | P -1 | 9.6325; 13.413; 18.8693 96.651; 91.573; 109.521 | 2276.6 | Boerth, Jeffrey A.; Ellman, Jonathan A. Rh(III)-Catalyzed Diastereoselective C-H Bond Addition/Cyclization Cascade of Enone Tethered Aldehydes. Chemical science (Royal Society of Chemistry : 2010), 2016, 7, 1474-1479 |
| 1540583 | CIF | C54 H31 B F20 N O Rh | P -1 | 11.854; 13.0781; 16.154 79.702; 80.128; 73.163 | 2339.2 | Boerth, Jeffrey A.; Ellman, Jonathan A. Rh(III)-Catalyzed Diastereoselective C-H Bond Addition/Cyclization Cascade of Enone Tethered Aldehydes. Chemical science (Royal Society of Chemistry : 2010), 2016, 7, 1474-1479 |
| 1540584 | CIF | C21 H29 N O7 | P -1 | 6.1386; 8.845; 20.0476 100.943; 95.193; 92.11 | 1062.7 | Cameron, Alex; Fisher, Brendan; Fisk, Nicholas; Hummel, Jessica; White, Jonathan M.; Krenske, Elizabeth H.; Rizzacasa, Mark A. Towards the Synthesis of Dihydrooxepino[4,3-b]pyrrole-Containing Natural Products via Cope Rearrangement of Vinyl Pyrrole Epoxides. Organic letters, 2015, 17, 5998-6001 |
| 1540585 | CIF | C109.5 H36 N3 S5 Sc3 | P -1 | 10.9903; 17.558; 19.758 99.562; 105.779; 107.217 | 3376.1 | Chen, Muqing; Bao, Lipiao; Ai, Min; Shen, Wangqiang; Lu, Xing Sc3N@Ih-C80as a novel Lewis acid to trap abnormal N-heterocyclic carbenes: the unprecedented formation of a singly bonded [6,6,6]-adduct Chem. Sci., 2016, 7, 2331 |
| 1540586 | CIF | C11 H7 F3 I N | P 1 21/c 1 | 7.7762; 19.2554; 7.6287 90; 98.728; 90 | 1129.05 | Jacquet, Jérémy; Blanchard, Sébastien; Derat, Etienne; Desage-El Murr, Marine; Fensterbank, Louis Redox-ligand sustains controlled generation of CF3radicals by well-defined copper complex Chem. Sci., 2016, 7, 2030 |
| 1540587 | CIF | Co2.581 F6 Mn0.419 O6 Sb4 | I -4 3 m | 8.1809; 8.1809; 8.1809 90; 90; 90 | 547.524 | Svengren, H.; Torapava, N.; Athanassiadis, I.; Ali, S. I.; Johnsson, M. A transition metal oxofluoride offering advantages in electrocatalysis and potential use in applications. Faraday discussions, 2016, 188, 481-498 |
| 1540588 | CIF | C58 H72 Br4 N9 O10 Yb | P 1 21/n 1 | 16.2698; 15.1873; 25.1775 90; 96.682; 90 | 6179 | Decortes, Antonello; Haak, Robert M.; Martín, Carmen; Belmonte, Marta Martínez; Martin, Eddy; Benet-Buchholz, Jordi; Kleij, Arjan W. Copolymerization of CO2and Cyclohexene Oxide Mediated by Yb(salen)-Based Complexes Macromolecules, 2015, 48, 8197 |
| 1540589 | CIF | C40 H47 N2 O5 Yb | P 21 21 21 | 13.3478; 15.5479; 17.2278 90; 90; 90 | 3575.29 | Decortes, Antonello; Haak, Robert M.; Martín, Carmen; Belmonte, Marta Martínez; Martin, Eddy; Benet-Buchholz, Jordi; Kleij, Arjan W. Copolymerization of CO2and Cyclohexene Oxide Mediated by Yb(salen)-Based Complexes Macromolecules, 2015, 48, 8197 |
| 1540590 | CIF | C15 H7 F O2 | P -1 | 7.2431; 9.1369; 9.4709 67.245; 89.096; 67.767 | 528.73 | Wu, Xunshen; Yang, Yang; Han, Jianwei; Wang, Limin Palladium Catalyzed C-I and Vicinal C-H Dual Activation of Diaryliodonium Salts for Diarylation: Synthesis of 4,5-Benzocoumarins. Organic letters, 2015, 17, 5654-5657 |
| 1540591 | CIF | C23 H31 N O2 | P 1 21/c 1 | 12.335; 13.08; 12.657 90; 102.79; 90 | 1991.4 | Wang, Xinbo; Pan, Yupeng; Huang, Kuo-Wei; Lai, Zhiping One-Pot Synthesis of N-(α-Peroxy)Indole/Carbazole via Chemoselective Three-Component Condensation Reaction in Open Atmosphere. Organic letters, 2015, 17, 5630-5633 |
| 1540592 | CIF | C12 H12 O2 | P 1 21/c 1 | 11.418; 10.794; 17.585 90; 102.207; 90 | 2118 | Mao, Wenbin; Zhu, Chen Synergistic Acid-Promoted Synthesis of Highly Substituted Butenolides via the Annulation of Keto Acids and Tertiary Alcohols. Organic letters, 2015, 17, 5710-5713 |
| 1540593 | CIF | C33 H24 F3 N O4 S | P -1 | 14.2696; 14.853; 14.948 67.375; 72.768; 89.623 | 2772.3 | Nayak, Sanatan; Ghosh, Nayan; Prabagar, B.; Sahoo, Akhila K. p-TsOH Promoted Au(I)-Catalyzed Consecutive Endo Cyclization of Yne-Tethered Ynamide: Access to Benzofused Dihydroisoquinolones. Organic letters, 2015, 17, 5662-5665 |
| 1540594 | CIF | C21 H16 O4 | P b c a | 11.3289; 14.3997; 19.8404 90; 90; 90 | 3236.6 | Zheng, Yang; Mao, Jincheng; Weng, Yuecheng; Zhang, Xiaolu; Xu, Xinfang Cyclopentadiene Construction via Rh-Catalyzed Carbene/Alkyne Metathesis Terminated with Intramolecular Formal [3 + 2] Cycloaddition. Organic letters, 2015, 17, 5638-5641 |
| 1540595 | CIF | C15 H15 N O4 S | P 21 21 21 | 8.1024; 11.3536; 14.828 90; 90; 90 | 1364 | Kong, Jongrock; McLaughlin, Mark; Belyk, Kevin; Mondschein, Ryan Enantioselective Rh(I)-Catalyzed Addition of Arylboronic Acids to Cyclic Ketimines. Organic letters, 2015, 17, 5520-5523 |
| 1540596 | CIF | C20 H16 Br N O4 | P 21 21 21 | 8.1709; 8.6771; 25.4706 90; 90; 90 | 1805.86 | Skrzyńska, Anna; Przydacz, Artur; Albrecht, Łukasz Organocatalytic Nonclassical Trienamine Activation in the Remote Alkylation of Furan Derivatives. Organic letters, 2015, 17, 5682-5685 |
| 1540597 | CIF | C22 H15 Cl F3 N O3 S | P 1 21/n 1 | 10.3902; 11.1304; 17.5579 90; 95.9749; 90 | 2019.49 | Huang, Zhongyan; Wang, Chen; Tokunaga, Etsuko; Sumii, Yuji; Shibata, Norio Stereoselective Synthesis of β-Lactam-triflones under Catalyst-Free Conditions. Organic letters, 2015, 17, 5610-5613 |
| 1540598 | CIF | C21 H21 N Si | P -1 | 10.2204; 10.3756; 18.4485 95.235; 105.12; 108.782 | 1754.9 | Hao, Wei; Wang, Han; Ye, Qingyu; Zhang, Wen-Xiong; Xi, Zhenfeng Cyclopentadiene-Phosphine/Palladium-Catalyzed Synthesis of Indolizines from Pyrrole and 1,4-Dibromo-1,3-butadienes. Organic letters, 2015, 17, 5674-5677 |
| 1540599 | CIF | C23 H17 N O3 | P 21 21 21 | 7.2793; 12.9826; 18.8537 90; 90; 90 | 1781.8 | Banerjee, Arghya; Santra, Sourav Kumar; Mohanta, Prakash Ranjan; Patel, Bhisma K. Ruthenium(II) Catalyzed Regiospecific C-H/O-H Annulations of Directing Arenes via Weak Coordination. Organic letters, 2015, 17, 5678-5681 |
| 1540600 | CIF | C29 H18 Cl N O | P -1 | 9.6188; 10.5071; 11.1216 94.256; 104.939; 102.615 | 1049.6 | Banerjee, Arghya; Santra, Sourav Kumar; Mohanta, Prakash Ranjan; Patel, Bhisma K. Ruthenium(II) Catalyzed Regiospecific C-H/O-H Annulations of Directing Arenes via Weak Coordination. Organic letters, 2015, 17, 5678-5681 |
| 1540601 | CIF | C20 H21 N O2 | P n a 21 | 7.5747; 10.8659; 20.7341 90; 90; 90 | 1706.54 | Karmakar, Raju; Suneja, Arun; Bisai, Vishnumaya; Singh, Vinod K. Ni(II)-Catalyzed Highly Stereo- and Regioselective Syntheses of Isoindolinones and Isoquinolinones from in Situ Prepared Aldimines Triggered by Homoallylation/Lactamization Cascade. Organic letters, 2015, 17, 5650-5653 |
| 1540602 | CIF | C13 H12 O2 | P -1 | 8.1069; 8.3799; 8.9188 102.823; 100.864; 113.21 | 516.59 | Sekine, Kohei; Sadamitsu, Yuta; Yamada, Tohru SilverCatalyzed Cascade Carboxylation and Cyclization of Trimethyl(2-methylenebut-3-yn-1-yl)silane Derivatives. Organic letters, 2015, 17, 5706-5709 |
| 1540603 | CIF | C15 H12 B N3 O | P c a 21 | 7.6982; 5.5273; 29.041 90; 90; 90 | 1235.7 | Adachi, Shinya; Liew, Sean K.; Lee, C. Frank; Lough, Alan; He, Zhi; Denis, Jeffrey D St; Poda, Gennady; Yudin, Andrei K. Condensation-Driven Assembly of Boron-Containing Bis(Heteroaryl) Motifs Using a Linchpin Approach. Organic letters, 2015, 17, 5594-5597 |
| 1540604 | CIF | C15 H13 B N4 | P b c a | 10.6778; 8.9179; 27.039 90; 90; 90 | 2574.75 | Adachi, Shinya; Liew, Sean K.; Lee, C. Frank; Lough, Alan; He, Zhi; Denis, Jeffrey D St; Poda, Gennady; Yudin, Andrei K. Condensation-Driven Assembly of Boron-Containing Bis(Heteroaryl) Motifs Using a Linchpin Approach. Organic letters, 2015, 17, 5594-5597 |
| 1540605 | CIF | C38 H25 O P | P -1 | 10.332; 10.435; 13.632 67.996; 82.773; 76.624 | 1324.5 | Wu, Bin; Chopra, Rena; Yoshikai, Naohiko One-Pot Benzo[b]phosphole Synthesis through Sequential Alkyne Arylmagnesiation, Electrophilic Trapping, and Intramolecular Phospha-Friedel-Crafts Cyclization. Organic letters, 2015, 17, 5666-5669 |
| 1540606 | CIF | C12 H17 N O3 S2 | P 21 21 21 | 8.7469; 13.4624; 24.6866 90; 90; 90 | 2906.95 | Marsini, Maurice A.; Reeves, Jonathan T.; Desrosiers, Jean-Nicolas; Herbage, Melissa A.; Savoie, Jolaine; Li, Zhibin; Fandrick, Keith R.; Sader, C. Avery; McKibben, Bryan; Gao, Donghong A.; Cui, Jianwen; Gonnella, Nina C.; Lee, Heewon; Wei, Xudong; Roschangar, Frank; Lu, Bruce Z.; Senanayake, Chris H. Diastereoselective Synthesis of α-Quaternary Aziridine-2-carboxylates via Aza-Corey-Chaykovsky Aziridination of N-tert-Butanesulfinyl Ketimino Esters. Organic letters, 2015, 17, 5614-5617 |
| 1540607 | CIF | C15 H21 N O3 S | P 21 21 21 | 5.9251; 14.3949; 17.8151 90; 90; 90 | 1519.47 | Marsini, Maurice A.; Reeves, Jonathan T.; Desrosiers, Jean-Nicolas; Herbage, Melissa A.; Savoie, Jolaine; Li, Zhibin; Fandrick, Keith R.; Sader, C. Avery; McKibben, Bryan; Gao, Donghong A.; Cui, Jianwen; Gonnella, Nina C.; Lee, Heewon; Wei, Xudong; Roschangar, Frank; Lu, Bruce Z.; Senanayake, Chris H. Diastereoselective Synthesis of α-Quaternary Aziridine-2-carboxylates via Aza-Corey-Chaykovsky Aziridination of N-tert-Butanesulfinyl Ketimino Esters. Organic letters, 2015, 17, 5614-5617 |
| 1540608 | CIF | C32 H37 Br Cl N3 O6 S2 | P 1 | 9.9554; 13.0776; 14.9103 75.045; 78.893; 69.659 | 1747.12 | Marsini, Maurice A.; Reeves, Jonathan T.; Desrosiers, Jean-Nicolas; Herbage, Melissa A.; Savoie, Jolaine; Li, Zhibin; Fandrick, Keith R.; Sader, C. Avery; McKibben, Bryan; Gao, Donghong A.; Cui, Jianwen; Gonnella, Nina C.; Lee, Heewon; Wei, Xudong; Roschangar, Frank; Lu, Bruce Z.; Senanayake, Chris H. Diastereoselective Synthesis of α-Quaternary Aziridine-2-carboxylates via Aza-Corey-Chaykovsky Aziridination of N-tert-Butanesulfinyl Ketimino Esters. Organic letters, 2015, 17, 5614-5617 |
| 1540609 | CIF | C20 H20 N2 O S | P 1 21/n 1 | 10.5944; 5.6765; 27.958 90; 94.681; 90 | 1675.8 | Zhu, Longzhi; Qiu, Renhua; Cao, Xin; Xiao, Song; Xu, Xinhua; Au, Chak-Tong; Yin, Shuang-Feng Copper-Mediated Remote C-H Bond Chalcogenation of Quinolines on the C5 Position. Organic letters, 2015, 17, 5528-5531 |
| 1540610 | CIF | C23 H30 N2 O4 S | P 1 21/n 1 | 7.7796; 34.171; 8.2694 90; 93.715; 90 | 2193.7 | Shen, Mei-Hua; Xu, Ke; Sun, Chu-Han; Xua, Hua-Dong Stereoselective Construction of Bridged trans-aza-Bicyclo[7/6,3/2,1]alkenyl Imines through Ring Expansion aza-Cope Rearrangement. Organic letters, 2015, 17, 5598-5601 |
| 1540611 | CIF | C60 H56 Si4 | P b c a | 16.685; 16.536; 37.285 90; 90; 90 | 10287 | Fu, Xiangyu; Zhao, Dahui Cyclo-oligomerization of 6,12-Diethynyl Indeno[1,2-b]fluorenes via Diradical Intermediates. Organic letters, 2015, 17, 5694-5697 |
| 1540612 | CIF | C20 H22 O4 | P 1 21/n 1 | 8.1446; 8.8894; 22.8882 90; 97.4066; 90 | 1643.29 | Mackay, Emily G.; Nörret, Marck; Wong, Leon S.-M.; Louis, Ignace; Lawrence, Andrew L.; Willis, Anthony C.; Sherburn, Michael S. A Domino Diels-Alder Approach toward the Tetracyclic Nicandrenone Framework. Organic letters, 2015, 17, 5517-5519 |
| 1540613 | CIF | C20 H22 O4 | P 1 21/c 1 | 14.271; 7.3032; 15.87 90; 97.862; 90 | 1638.5 | Mackay, Emily G.; Nörret, Marck; Wong, Leon S.-M.; Louis, Ignace; Lawrence, Andrew L.; Willis, Anthony C.; Sherburn, Michael S. A Domino Diels-Alder Approach toward the Tetracyclic Nicandrenone Framework. Organic letters, 2015, 17, 5517-5519 |
| 1540614 | CIF | C15 H14 N2 O7 | P -1 | 6.8857; 7.8782; 14.23 73.669; 85.904; 80.621 | 730.62 | Wagner, Frederic; Harms, Klaus; Koert, Ulrich Hauser-Heck: Efficient Synthesis of γ-Aryl-β-ketoesters en Route to Substituted Naphthalenes. Organic letters, 2015, 17, 5670-5673 |
| 1540615 | CIF | C13 H10 N2 O7 | P -1 | 6.4851; 8.2205; 12.0587 92.463; 91.458; 99.303 | 633.47 | Wagner, Frederic; Harms, Klaus; Koert, Ulrich Hauser-Heck: Efficient Synthesis of γ-Aryl-β-ketoesters en Route to Substituted Naphthalenes. Organic letters, 2015, 17, 5670-5673 |
| 1540616 | CIF | C15 H16 O5 | P -1 | 7.9292; 8.4053; 10.7094 93.039; 104.73; 106.745 | 654.85 | Wagner, Frederic; Harms, Klaus; Koert, Ulrich Hauser-Heck: Efficient Synthesis of γ-Aryl-β-ketoesters en Route to Substituted Naphthalenes. Organic letters, 2015, 17, 5670-5673 |
| 1540617 | CIF | C30 H26 O3 S | P 1 n 1 | 14.188; 5.8892; 15.3276 90; 103.795; 90 | 1243.77 | Chang, Meng-Yang; Cheng, Yu-Chieh Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones. Organic letters, 2015, 17, 5702-5705 |
| 1540618 | CIF | C24 H20 O2 | P -1 | 7.1637; 11.4472; 11.9023 79.27; 77.811; 87.147 | 937.3 | Chang, Meng-Yang; Cheng, Yu-Chieh Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones. Organic letters, 2015, 17, 5702-5705 |
| 1540619 | CIF | C24 H21 F O3 S | P 1 21/n 1 | 15.3544; 5.9154; 21.8657 90; 90.554; 90 | 1985.91 | Chang, Meng-Yang; Cheng, Yu-Chieh Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones. Organic letters, 2015, 17, 5702-5705 |
| 1540620 | CIF | C30 H26 O3 S | P c a 21 | 16.1272; 8.2497; 17.782 90; 90; 90 | 2365.8 | Chang, Meng-Yang; Cheng, Yu-Chieh Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones. Organic letters, 2015, 17, 5702-5705 |
| 1540621 | CIF | C14 H11 Br N4 O | P 1 21/c 1 | 14.7522; 13.9738; 6.7673 90; 100.152; 90 | 1373.2 | Rajamanickam, Suresh; Majji, Ganesh; Santra, Sourav Kumar; Patel, Bhisma K. Bu4NI Catalyzed C-N Bond Formation via Cross-Dehydrogenative Coupling of Aryl Ethers (Csp3-H) and Tetrazoles (N-H). Organic letters, 2015, 17, 5586-5589 |
| 1540622 | CIF | C27 H20 Cl F3 N2 O3 | C 1 2 1 | 19.9301; 11.6169; 12.0116 90; 106.035; 90 | 2672.8 | Zhou, Ding; Huang, Zheng; Yu, Xueting; Wang, Youxin; Li, Jian; Wang, Wei; Xie, Hexin A Quinine-Squaramide Catalyzed Enantioselective Aza-Friedel-Crafts Reaction of Cyclic Trifluoromethyl Ketimines with Naphthols and Electron-Rich Phenols. Organic letters, 2015, 17, 5554-5557 |
| 1540623 | CIF | C17 H17 N O | P n m a | 17.598; 6.875; 10.631 90; 90; 90 | 1286.2 | Das, Sajal; Hong, Dongsub; Chen, Zhiwei; She, Zhigang; Hersh, William H.; Subramaniam, Gopal; Chen, Yu Auto-Tandem Palladium Catalysis: From Isoxazole to 2-Azafluorenone. Organic letters, 2015, 17, 5578-5581 |
| 1540624 | CIF | C17 H19 N O2 | P 1 21/c 1 | 9.5944; 19.75; 7.917 90; 90.554; 90 | 1500.1 | Das, Sajal; Hong, Dongsub; Chen, Zhiwei; She, Zhigang; Hersh, William H.; Subramaniam, Gopal; Chen, Yu Auto-Tandem Palladium Catalysis: From Isoxazole to 2-Azafluorenone. Organic letters, 2015, 17, 5578-5581 |
| 1540625 | CIF | C32 H21 O5 P W | P 1 21/c 1 | 11.521; 11.9824; 20.383 90; 98.02; 90 | 2786.34 | Zhou, Yang; Gan, Zhenjie; Su, Bo; Li, Jun; Duan, Zheng; Mathey, François Intramolecular, Pd/Cu-Co-catalyzed P-C Bond Cleavage and Addition onto an Alkyne: A Route to Benzophospholes. Organic letters, 2015, 17, 5722-5724 |
| 1540626 | CIF | C54 H78 Mo N2 O2 | P 1 | 10.0435; 10.3143; 12.8862 74.5019; 87.313; 78.6415 | 1261.15 | Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability Catalysts, 2015, 5, 1928 |
| 1540627 | CIF | C60 H82 Cl2 Mo N2 O2 | P -1 | 11.7691; 14.1045; 18.0657 83.543; 81.066; 74.829 | 2851.1 | Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability Catalysts, 2015, 5, 1928 |
| 1540628 | CIF | C80 H106 F10 Mo2 N4 O4 | P 1 21/n 1 | 14.2727; 15.4944; 18.0242 90; 98.4505; 90 | 3942.7 | Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability Catalysts, 2015, 5, 1928 |
| 1540629 | CIF | C114 H158 Mo2 N10 O8 | P -1 | 13.0178; 13.4853; 16.9177 106.113; 96.4972; 92.7062 | 2825.3 | Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability Catalysts, 2015, 5, 1928 |
| 1540630 | CIF | C124 H182 Mo2 N4 O4 | C 1 2/c 1 | 40.815; 17.0938; 16.3488 90; 94.82; 90 | 11365.9 | Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability Catalysts, 2015, 5, 1928 |
| 1540631 | CIF | C104 H140 F10 Mo2 N8 O8 | P -1 | 18.7522; 22.6704; 25.8469 79.933; 81.162; 81.434 | 10605.9 | Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability Catalysts, 2015, 5, 1928 |
| 1540632 | CIF | C28 H44 Cl2 Mo N2 O2 | P -1 | 10.0491; 10.6022; 15.6133 92.902; 90.577; 112.932 | 1529.2 | Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability Catalysts, 2015, 5, 1928 |
| 1540633 | CIF | C26 H31 Br N2 O7 S | P 1 21/n 1 | 10.418; 14.7052; 17.8673 90; 99.129; 90 | 2702.6 | Mizoguchi, Kenji; Sakamoto, Hirokazu Role ofWater Molecules to the Electronic States of M-DNA Crystals, 2015, 5, 475 |
| 1540634 | CIF | C26 H29 Br N2 O7 S | P -1 | 8.3812; 13.0305; 13.2656 64.054; 83.078; 86.643 | 1293.2 | Mizoguchi, Kenji; Sakamoto, Hirokazu Role ofWater Molecules to the Electronic States of M-DNA Crystals, 2015, 5, 475 |
| 1540635 | CIF | C48 H54 Br2 N4 O10 S2 | P 1 21/n 1 | 15.9728; 14.008; 22.8933 90; 109.716; 90 | 4822 | Mizoguchi, Kenji; Sakamoto, Hirokazu Role ofWater Molecules to the Electronic States of M-DNA Crystals, 2015, 5, 475 |
| 1540636 | CIF | C32 H34 Cu0 N4 O8 Zn | P 1 21 1 | 11.421; 9.2213; 15.188 90; 106.112; 90 | 1536.7 | Tai, Xi-Shi; You, Hai-Ying A New 1D Chained Coordination Polymer: Synthesis, Crystal Structure, Antitumor Activity and Luminescent Property Crystals, 2015, 5, 608 |
| 1540637 | CIF | C56 H92 Cl2 N8 Nd2 O2 | P -1 | 10.049; 11.337; 14.471 82.53; 83.02; 73.74 | 1563 | Sroor, Farid; Hrib, Cristian; Edelmann, Frank New Lanthanide Alkynylamidinates and Diiminophosphinates Inorganics, 2015, 3, 429 |
| 1540638 | CIF | C38 H54 Li2 N4 O2 | P -1 | 9.6687; 9.948; 19.611 93.77; 91.33; 90.96 | 1881.4 | Sroor, Farid; Hrib, Cristian; Edelmann, Frank New Lanthanide Alkynylamidinates and Diiminophosphinates Inorganics, 2015, 3, 429 |
| 1540639 | CIF | C50 H70 Li2 N4 O2 | P -1 | 9.8768; 10.2082; 11.6883 104.144; 90.248; 104.209 | 1105.18 | Sroor, Farid; Hrib, Cristian; Edelmann, Frank New Lanthanide Alkynylamidinates and Diiminophosphinates Inorganics, 2015, 3, 429 |
| 1540640 | CIF | C44 H72 Ce Cl2 Li N4 O2 P2 Si4 | P 1 21/n 1 | 11.117; 36.425; 13.538 90; 96.7; 90 | 5444.6 | Sroor, Farid; Hrib, Cristian; Edelmann, Frank New Lanthanide Alkynylamidinates and Diiminophosphinates Inorganics, 2015, 3, 429 |
| 1540641 | CIF | C16 H18.37 N4 O7.68 Y | P b c a | 14.6954; 14.3307; 18.2161 90; 90; 90 | 3836.2 | Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction Inorganics, 2015, 3, 448 |
| 1540642 | CIF | C42 H36 Cl3 Dy2 N9 O9 | P 1 21/n 1 | 14.2871; 19.9839; 20.0637 90; 101.857; 90 | 5606.2 | Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction Inorganics, 2015, 3, 448 |
| 1540643 | CIF | C42 H35 Cl3 Gd2 N9 O9 | P 1 21/n 1 | 14.218; 20.386; 20.455 90; 101.982; 90 | 5800 | Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction Inorganics, 2015, 3, 448 |
| 1540644 | CIF | C16 H20 Dy N5 O11 | P -1 | 10.3419; 14.585; 15.7309 95.672; 95.377; 109.768 | 2201.46 | Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction Inorganics, 2015, 3, 448 |
| 1540645 | CIF | C32 H35 Cl N7 O8 Y | P 1 21/c 1 | 12.2901; 15.4666; 18.778 90; 100.085; 90 | 3514.3 | Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction Inorganics, 2015, 3, 448 |
| 1540646 | CIF | C44 H82 Ga2 Ho2 N2 | P -1 | 10.1896; 11.5565; 11.5966 65.09; 83.184; 84.962 | 1228.69 | Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Törnroos, Karl; Anwander, Reiner Holmium(III) Supermesityl-Imide Complexes Bearing Methylaluminato/Gallato Ligands Inorganics, 2015, 3, 500 |
| 1540647 | CIF | C44 H82 Al2 Ho2 N2 | C 1 2/c 1 | 24.0888; 11.7687; 20.4327 90; 111.559; 90 | 5387.3 | Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Törnroos, Karl; Anwander, Reiner Holmium(III) Supermesityl-Imide Complexes Bearing Methylaluminato/Gallato Ligands Inorganics, 2015, 3, 500 |
| 1540648 | CIF | C81 H141 K2 La2 N4 O13 Si4 | P c c n | 20.3261; 54.668; 16.5827 90; 90; 90 | 18426.5 | Kotyk, Christopher M.; Fieser, Megan E.; Palumbo, Chad T.; Ziller, Joseph W.; Darago, Lucy E.; Long, Jeffrey R.; Furche, Filipp; Evans, William J. Isolation of +2 rare earth metal ions with three anionic carbocyclic rings: bimetallic bis(cyclopentadienyl) reduced arene complexes of La2+and Ce2+are four electron reductants Chem. Sci., 2015, 6, 7267 |
| 1540649 | CIF | C11 H10 Br N2 S | P 1 21/c 1 | 7.687; 5.6405; 26.624 90; 97.533; 90 | 1144.4 | Shen, Tao; Huang, Xiaoqiang; Liang, Yu-Feng; Jiao, Ning Cu-Catalyzed Transformation of Alkynes and Alkenes with Azide and Dimethyl Sulfoxide Reagents. Organic letters, 2015, 17, 6186-6189 |
| 1540650 | CIF | C16 H26 Br2 Fe N4 | P 1 21/c 1 | 7.7264; 17.285; 14.927 90; 94.081; 90 | 1988.5 | Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts Polym. Chem., 2016, 7, 1037 |
| 1540651 | CIF | C11 H24 Br2 Fe N4 | P n a 21 | 16.3535; 12.5257; 7.6117 90; 90; 90 | 1559.2 | Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts Polym. Chem., 2016, 7, 1037 |
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