Crystallography Open Database

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1540552 CIFC198 H149 F48 N39 O64 Re4 S16 Zn9P 1 21/c 138.4811; 22.233; 33.8318
90; 115.636; 90
26095.5Wood, 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 CIFC18 H20 N2 O5 SP 1 21 16.7708; 15.0499; 18.2635
90; 98.942; 90
1838.43Oda, 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 CIFC40 H56 B PP -110.311; 18.895; 20.77
69.618; 85.946; 76.898
3694.3Takamizawa, Satoshi; Takasaki, Yuichi
Shape-memory effect in an organosuperelastic crystal
Chem. Sci., 2016, 7, 1527
1540555 CIFC40 H56 B PP -110.5582; 19.131; 20.915
68.892; 85.501; 77.175
3842.8Takamizawa, Satoshi; Takasaki, Yuichi
Shape-memory effect in an organosuperelastic crystal
Chem. Sci., 2016, 7, 1527
1540556 CIFC40 H56 B PP 1 21/n 112.1401; 36.975; 17.688
90; 102.611; 90
7748.2Takamizawa, Satoshi; Takasaki, Yuichi
Shape-memory effect in an organosuperelastic crystal
Chem. Sci., 2016, 7, 1527
1540557 CIFC40 H56 B PP -110.1868; 18.7141; 20.7566
70.748; 86.972; 76.006
3623.3Takamizawa, Satoshi; Takasaki, Yuichi
Shape-memory effect in an organosuperelastic crystal
Chem. Sci., 2016, 7, 1527
1540558 CIFC40.75 H30.5 Au Cl1.5 Cr N O9 P SP -113.4225; 14.2249; 24.728
74.619; 89.572; 62.126
3986.3Applegate, 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 CIFC15 H13 NP 21 21 216.8195; 8.3525; 20.053
90; 90; 90
1142.2Kanchupalli, Vinaykumar; Joseph, Desna; Katukojvala, Sreenivas
Pyridazine N-Oxides as Precursors of Metallocarbenes: Rhodium-Catalyzed Transannulation with Pyrroles.
Organic letters, 2015, 17, 5878-5881
1540560 CIFC64.5 H54 Cl8 I3 O2 Os P3P 1 21/c 112.9311; 22.2426; 23.2785
90; 102.771; 90
6529.8Luo, 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 CIFC64 H53 Br8 Cl2 O2 Os P3P 1 21/c 113.0217; 22.2992; 23.1406
90; 102.857; 90
6551Luo, 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 CIFC42 H53 Dy N2 O P2 Si2P 1 21/m 110.47242; 19.20658; 10.61743
90; 94.0778; 90
2130.18Gregson, 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 CIFC62 H77 N4 P4 Si4 YC 1 2/c 131.667; 25.7439; 20.938
90; 132.786; 90
12527Gregson, 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 CIFC62 H77 Dy N4 P4 Si4C 1 2/c 131.7145; 25.723; 20.9468
90; 132.69; 90
12560.4Gregson, 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 CIFC90 H132 K N4 O10 P4 Si4 YP -115.1169; 15.282; 21.1716
98.667; 94.975; 93.716
4801.8Gregson, 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 CIFC90 H132 Dy K N4 O10 P4 Si4P -115.1483; 15.3041; 21.1587
98.844; 95.182; 93.576
4812.6Gregson, 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 CIFC148 H170 Au25 O2 S36P -116.174; 17.746; 17.83
65; 64; 81
4166Tofanelli, 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 CIFC144 H180 Au25 F6 P S18P -116.8533; 17.775; 18.2364
93.765; 114.867; 112.147
4424.4Tofanelli, 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 CIFC17 H11 F3 N2 O3P 1 21/c 113.835; 14.066; 7.7299
90; 97.446; 90
1491.6Fugard, 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 CIFC36.42 H45.33 N8 O15.23 ZrP 1 21/c 119.6642; 12.5427; 16.2481
90; 91.706; 90
4005.7Deri, 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 CIFC11 H14 N2P n m a8.917; 7.6126; 15.0884
90; 90; 90
1024.22Druzhinin, 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 CIFC15 H22 N2P 1 21 18.4033; 8.2068; 10.092
90; 92.33; 90
695.4Druzhinin, 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 CIFC12 H12 N2P -16.575; 7.956; 9.875
90.42; 107.21; 101.99
481.4Druzhinin, 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 CIFC15 H11 N O3P 1 21/n 112.134; 7.418; 26.1516
90; 91.845; 90
2352.69Tomás-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 O16I 41/a :25.22344; 5.22344; 11.50019
90; 90; 90
313.77Chang 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 O16I 41/a :25.21601; 5.21601; 11.4875
90; 90; 90
312.54Chang 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 Yb0.2I 41/a :25.21412; 5.21412; 11.48095
90; 90; 90
312.13Chang 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 Yb0.45I 41/a :25.21103; 5.21103; 11.47435
90; 90; 90
311.58Chang 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 CIFC26 H29 F3 N2 O5P 21 21 217.9683; 12.0495; 25.4584
90; 90; 90
2444.36Ozawa, 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 CIFC34 H30 O2P 6526.2091; 26.2091; 6.7076
90; 90; 120
3990.3Kumar, 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 CIFC23 H34 N2 OP -16.1983; 9.7636; 17.0724
75.866; 84.107; 87.755
996.5Race, 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 CIFC26.75 H24 F3 N O2P -19.6325; 13.413; 18.8693
96.651; 91.573; 109.521
2276.6Boerth, 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 CIFC54 H31 B F20 N O RhP -111.854; 13.0781; 16.154
79.702; 80.128; 73.163
2339.2Boerth, 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 CIFC21 H29 N O7P -16.1386; 8.845; 20.0476
100.943; 95.193; 92.11
1062.7Cameron, 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 CIFC109.5 H36 N3 S5 Sc3P -110.9903; 17.558; 19.758
99.562; 105.779; 107.217
3376.1Chen, 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 CIFC11 H7 F3 I NP 1 21/c 17.7762; 19.2554; 7.6287
90; 98.728; 90
1129.05Jacquet, 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 CIFCo2.581 F6 Mn0.419 O6 Sb4I -4 3 m8.1809; 8.1809; 8.1809
90; 90; 90
547.524Svengren, 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 CIFC58 H72 Br4 N9 O10 YbP 1 21/n 116.2698; 15.1873; 25.1775
90; 96.682; 90
6179Decortes, 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 CIFC40 H47 N2 O5 YbP 21 21 2113.3478; 15.5479; 17.2278
90; 90; 90
3575.29Decortes, 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 CIFC15 H7 F O2P -17.2431; 9.1369; 9.4709
67.245; 89.096; 67.767
528.73Wu, 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 CIFC23 H31 N O2P 1 21/c 112.335; 13.08; 12.657
90; 102.79; 90
1991.4Wang, 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 CIFC12 H12 O2P 1 21/c 111.418; 10.794; 17.585
90; 102.207; 90
2118Mao, 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 CIFC33 H24 F3 N O4 SP -114.2696; 14.853; 14.948
67.375; 72.768; 89.623
2772.3Nayak, 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 CIFC21 H16 O4P b c a11.3289; 14.3997; 19.8404
90; 90; 90
3236.6Zheng, 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 CIFC15 H15 N O4 SP 21 21 218.1024; 11.3536; 14.828
90; 90; 90
1364Kong, 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 CIFC20 H16 Br N O4P 21 21 218.1709; 8.6771; 25.4706
90; 90; 90
1805.86Skrzyńska, Anna; Przydacz, Artur; Albrecht, Łukasz
Organocatalytic Nonclassical Trienamine Activation in the Remote Alkylation of Furan Derivatives.
Organic letters, 2015, 17, 5682-5685
1540597 CIFC22 H15 Cl F3 N O3 SP 1 21/n 110.3902; 11.1304; 17.5579
90; 95.9749; 90
2019.49Huang, 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 CIFC21 H21 N SiP -110.2204; 10.3756; 18.4485
95.235; 105.12; 108.782
1754.9Hao, 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 CIFC23 H17 N O3P 21 21 217.2793; 12.9826; 18.8537
90; 90; 90
1781.8Banerjee, 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 CIFC29 H18 Cl N OP -19.6188; 10.5071; 11.1216
94.256; 104.939; 102.615
1049.6Banerjee, 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 CIFC20 H21 N O2P n a 217.5747; 10.8659; 20.7341
90; 90; 90
1706.54Karmakar, 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

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