Crystallography Open Database

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4038862 CIFC15 H16 O3P 6524.0111; 24.0111; 22.65
90; 90; 120
11309Kleiner, Yolanda; Hammann, Peter; Becker, Jonathan; Bauer, Armin; Pöverlein, Christoph; Schuler, Sören M M
Total Synthesis and Structure Revision of (-)-Avicennone C.
The Journal of organic chemistry, 2020
4060737 CIFC56 H51 I O P2 PdP 6529.934; 29.934; 11.858
90; 90; 120
9202Organometallics, 2003
4060744 CIFC51 H44 B F24 O P PdP 6513.0281; 13.0281; 56.9568
90; 90; 120
8372.2Organometallics, 2003
4061862 CIFC12 H5 N O12 Os4P 658.993; 8.993; 43.19
90; 90; 120
3025Organometallics, 2003
4064022 CIFC22 H27 N2 S TaP 6517.864; 17.864; 12.492
90; 90; 120
3452.4Fandos, Rosa; Fernández-Gallardo, Jacob; Otero, Antonio; Rodríguez, Ana; Ruiz, María José
Tantalum Complexes Containing a Tridentate [NSN]-Type Ligand: Unusual Reactivity of a Dihydride Complex with an Isocyanide to Give an Azatantallaziridine Moiety
Organometallics, 2011, 30, 1551
4065809 CIFC26 H48.667 Cl Ir P2P 6516.316; 16.316; 19.1731
90; 90; 120
4420.3Punji, Benudhar; Emge, Thomas J.; Goldman, Alan S.
A Highly Stable Adamantyl-Substituted Pincer-Ligated Iridium Catalyst for Alkane Dehydrogenation
Organometallics, 2010, 29, 2702
4067126 CIFC24 H27 Cl Fe I N2 O PP 6520.232; 20.232; 10.5999
90; 90; 120
3757.6Yu, Insun; Wallis, Christopher J.; Patrick, Brian O.; Diaconescu, Paula L.; Mehrkhodavandi, Parisa
Phosphine-Tethered Carbene Ligands: Template Synthesis and Reactivity of Cyclic and Acyclic Functionalized Carbenes
Organometallics, 2010, 29, 6065
4073224 CIFC17 H21 Cl N2P 6511.6131; 11.6131; 20.469
90; 90; 120
2390.7Bazinet, Patrick; Ong, Tiow-Gan; O'Brien, Julie S.; Lavoie, Nathalie; Bell, Eleanor; Yap, Glenn P. A.; Korobkov, Ilia; Richeson, Darrin S.
Design of Sterically Demanding, Electron-Rich Carbene Ligands with the Perimidine Scaffold
Organometallics, 2007, 26, 2885
4073409 CIFC32 H40 S2 ThP 6512.6647; 12.6647; 32.45
90; 90; 120
4507.5Evans, William J.; Miller, Kevin A.; Kozimor, Stosh A.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.
Actinide Hydride Complexes as Multielectron Reductants: Analogous Reduction Chemistry from [(C5Me5)2UH]2, [(C5Me5)2UH2]2, and [(C5Me5)2ThH2]2
Organometallics, 2007, 26, 3568
4077862 CIFC22 H16 As IP 6516.8728; 16.8728; 11.2567
90; 90; 120
2775.34Kilah, Nathan L.; Wild, S. Bruce
Phosphine Complexes of an Enantiomerically Pure, Atropisomeric Arsenium Ion
Organometallics, 2012, 31, 2658
4077863 CIFC22 H16 As ClP 6516.776; 16.776; 11.0926
90; 90; 120
2703.59Kilah, Nathan L.; Wild, S. Bruce
Phosphine Complexes of an Enantiomerically Pure, Atropisomeric Arsenium Ion
Organometallics, 2012, 31, 2658
4078236 CIFC47 H30 Au2 Ir4 O11 P2P 6513.3377; 13.3377; 48.755
90; 90; 120
7511.2Adams, Richard D.; Chen, Mingwei; Yang, Xinzheng
Iridium‒Gold Cluster Compounds: Syntheses, Structures, and an Unusual Ligand-Induced Skeletal Rearrangement
Organometallics, 2012, 31, 3588
4078930 CIFC65 H88 F6 O7 P4 Pd S2P 6513.446; 13.446; 66.635
90; 90; 120
10433.2Chapp, Timothy W.; Schoenfeld, Adam J.; Sanderson, Matthew D.; Chang, Cory L.; Glueck, David S.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.
Synthesis, Structure, Dynamics, and Selective Methylation of Platinum and Palladium Diphosphametallacyclobutane Complexes
Organometallics, 2012, 31, 5573
4079068 CIFC19 H28 Fe O3 Si2P 6523.4373; 23.4373; 7.65
90; 90; 120
3639.21Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard
(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents
Organometallics, 2012, 31, 6741
4081841 CIFC31 H32 Cl N2 RhP 6520.5199; 20.5199; 11.4954
90; 90; 120
4191.8Féghali, Elias; Barloy, Laurent; Issenhuth, Jean-Thomas; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel
Cyclometalation of (2R,5R)-2,5-Diphenylpyrrolidine and 2-Phenyl-2-imidazoline Ligands with Half-Sandwich Iridium(III) and Rhodium(III) Complexes
Organometallics, 2013, 32, 6186
4081846 CIFC31 H32 Cl N2 RhP 6520.5199; 20.5199; 11.4954
90; 90; 120
4191.8Barloy, Laurent; Féghali, Elias; Henry, Marc; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel
Serendipitous Self-Assembly of Cyclometalated Complexes through Hydrogen Bonds: Dimers or Chains within Compact or Porous Networks
Organometallics, 2013, 32, 6195
4082841 CIFC27 H38 Cl2 N2 O3 PdP 6517.8432; 17.8432; 16.0496
90; 90; 120
4425.3Bratko, Ielyzaveta; Mallet-Ladeira, Sonia; Teuma, Emmanuelle; Gómez, Montserrat
Heteropolymetallic Complexes Linked to a 9,10-Dihydroanthracenyl Frame. Ruthenium as Active Spectator for Palladium Reactivity
Organometallics, 2014, 33, 1812
4085909 CIFC27 H39.75 Cl0.75 F3.75 Fe0.75 N2.25 P1.5P 6520.6241; 20.6241; 17.184
90; 90; 120
6330Liu, Tianbiao; Liao, Qian; O’Hagan, Molly; Hulley, Elliott B.; DuBois, Daniel L.; Bullock, R. Morris
Iron Complexes Bearing Diphosphine Ligands with Positioned Pendant Amines as Electrocatalysts for the Oxidation of H2
Organometallics, 2015, 34, 2747
4087445 CIFC56 H59 I O4 P2 PdP 6513.4441; 13.4441; 49.8415
90; 90; 120
7801.6Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing
Versatile Syntheses of Optically Pure PCE Pincer Ligands: Facile Modifications of the Pendant Arms and Ligand Backbones
Organometallics, 2015, 34, 1582
4101211 CIFC18 H33 N O4P 6510.316; 10.316; 32.838
90; 90; 120
3026.4Journal of the American Chemical Society, 2006
4101259 CIFC9 H18 N2 O4P 6518.138; 18.138; 6.163
90; 90; 120
1755.9Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A
Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.
Journal of the American Chemical Society, 2006, 128, 6737-6744
4105169 CIFC30 H53 N5 O8P 6524.3673; 24.3673; 10.6844
90; 90; 120
5494.1Upadhyayula S. Raghavender; Subrayashastry Aravinda; Narayanaswamy Shamala; Rajkishor Rai; Padmanabhan Balaram
Characterization of Water Wires inside Hydrophobic Tubular Peptide Structures
Journal of the American Chemical Society, 2009, 131, 15130-15132
4105170 CIFC29 H51 N5 O9P 6524.292; 24.292; 10.4838
90; 90; 120
5357.7Upadhyayula S. Raghavender; Subrayashastry Aravinda; Narayanaswamy Shamala; Rajkishor Rai; Padmanabhan Balaram
Characterization of Water Wires inside Hydrophobic Tubular Peptide Structures
Journal of the American Chemical Society, 2009, 131, 15130-15132
4105171 CIFC29 H51 N5 O8.17P 6524.3161; 24.3161; 10.4805
90; 90; 120
5366.62Upadhyayula S. Raghavender; Subrayashastry Aravinda; Narayanaswamy Shamala; Rajkishor Rai; Padmanabhan Balaram
Characterization of Water Wires inside Hydrophobic Tubular Peptide Structures
Journal of the American Chemical Society, 2009, 131, 15130-15132
4105219 CIFC23 H23 Br N2 O PP 6519.943; 19.943; 10.142
90; 90; 120
3493Joshua P. Abell; Hisashi Yamamoto
Dual-Activation Asymmetric Strecker Reaction of Aldimines and Ketimines Catalyzed by a Tethered Bis(8-quinolinolato) Aluminum Complex
Journal of the American Chemical Society, 2009, 131, 15118-15119
4105512 CIFC29 H29 Cl N O5 P SP 6515.97; 15.97; 19.09
90; 90; 120
4216.44Shuichi Nakamura; Masashi Hayashi; Yuichi Hiramatsu; Norio Shibata; Yasuhiro Funahashi; Takeshi Toru
Catalytic Enantioselective Hydrophosphonylation of Ketimines Using Cinchona Alkaloids
Journal of the American Chemical Society, 2009, 131, 18240-18241
4106673 CIFC52 H78 N8 O2P 6510.7895; 10.7895; 72.85
90; 90; 120
7344.5Shunxi Dong; Xiaohua Liu; Xiaohong Chen; Fang Mei; Yulong Zhang; Bo Gao; Lili Lin; Xiaoming Feng
Chiral Bisguanidine-Catalyzed Inverse-Electron-Demand Hetero-Diels-Alder Reaction of Chalcones with Azlactones
Journal of the American Chemical Society, 2011, 133, 13761-13761
4107067 CIFC11 H15 Cl N2 O4 ZnP 6517.703; 17.703; 10.585
90; 90; 120
2872.9Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee
Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology
Journal of the American Chemical Society, 2011, 133, 17950-17958
4107068 CIFC11 H15 Br N2 O4 ZnP 6517.7786; 17.7786; 10.4868
90; 90; 120
2870.6Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee
Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology
Journal of the American Chemical Society, 2011, 133, 17950-17958
4107791 CIFC32 H48 N4 O7P 6511.1738; 11.1738; 46.6887
90; 90; 120
5048.3Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman
Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation
Journal of the American Chemical Society, 2008, 130, 6544-6550
4108018 CIFC9.33 H11 F2 N2 O4.17P 6523.159; 23.159; 7.016
90; 90; 120
3258.8Joseph J. Barchi; Rajeshri G. Karki; Marc C. Nicklaus; Maqbool A. Siddiqui; Clifford George; Igor A. Mikhailopulo; Victor E. Marquez
Comprehensive Structural Studies of 2',3'-Difluorinated Nucleosides: Comparison of Theory, Solution, and Solid State
Journal of the American Chemical Society, 2008, 130, 9048-9057
4110544 CIFC56 H72 Cl6 N6 O9P 6521.321; 21.321; 23.846
90; 90; 120
9388Margaret A. Schmitt; Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman
New Helical Foldamers: Heterogeneous Backbones with 1:2 and 2:1 α:β-Amino Acid Residue Patterns
Journal of the American Chemical Society, 2006, 128, 4538-4539
4114159 CIFC24 H23 F3 N2 O4P 6512.5069; 12.5069; 26.069
90; 90; 120
3531.5Mark S. Taylor; Eric N. Jacobsen
Enantioselective Michael Additions to α,β-Unsaturated Imides Catalyzed by a Salen-Al Complex
Journal of the American Chemical Society, 2003, 125, 11204-11205
4117474 CIFC17 H38 B10 SiP 6510.693; 10.693; 37.114
90; 90; 120
3675.1Shikuo Ren; Zaozao Qiu; Zuowei Xie
Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes
Journal of the American Chemical Society, 2012, 134, 3242-3254
4118207 CIFC41 H35 N O4 SP 6510.7247; 10.7247; 50.097
90; 90; 120
4990.1Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan
Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines
Journal of the American Chemical Society, 2012, 134, 10811-10814
4118239 CIFC177 H188 Cl3 F3 N32 O25P 6547.4778; 47.4778; 17.0113
90; 90; 120
33208.5Mee-Kyung Chung; Peter S. White; Stephen J. Lee; Marcey L. Waters; Michel R. Gagné
Self-Assembled Multi-Component Catenanes: Structural Insights into an Adaptable Class of Molecular Receptors and [2]-Catenanes
Journal of the American Chemical Society, 2012, 134, 11415-11429
4118493 CIFC41.59 H38.99 N1.9 O12.85 S4 Zn2P 6519.293; 19.293; 20.838
90; 90; 120
6717.2Tarun C. Narayan; Tomoyo Miyakai; Shu Seki; Mircea Dincă
High Charge Mobility in a Tetrathiafulvalene-Based Microporous Metal-Organic Framework
Journal of the American Chemical Society, 2012, 134, 12932-12935
4119174 CIFC25 H22 N2 O3P 6511.6957; 11.6957; 25.449
90; 90; 120
3014.8Gregory L. Adams; Patrick J. Carroll; Amos B. Smith
Access to the Akuammiline Family of Alkaloids: Total Synthesis of (+)-Scholarisine A
Journal of the American Chemical Society, 2013, 135, 519-528
4120437 CIFC44 H44 N20 O3P 6511.9083; 11.9083; 71.9218
90; 90; 120
8832.6Li, Peng; He, Yabing; Guang, Jie; Weng, Linghong; Zhao, John Cong-Gui; Xiang, Shengchang; Chen, Banglin
A homochiral microporous hydrogen-bonded organic framework for highly enantioselective separation of secondary alcohols.
Journal of the American Chemical Society, 2014, 136, 547-549
4120438 CIFC44 H44 N20 O3P 6511.8925; 11.8925; 71.857
90; 90; 120
8801.3Li, Peng; He, Yabing; Guang, Jie; Weng, Linghong; Zhao, John Cong-Gui; Xiang, Shengchang; Chen, Banglin
A homochiral microporous hydrogen-bonded organic framework for highly enantioselective separation of secondary alcohols.
Journal of the American Chemical Society, 2014, 136, 547-549
4120439 CIFC36 H34 N20 O2P 6511.8861; 11.8861; 71.796
90; 90; 120
8784.4Li, Peng; He, Yabing; Guang, Jie; Weng, Linghong; Zhao, John Cong-Gui; Xiang, Shengchang; Chen, Banglin
A homochiral microporous hydrogen-bonded organic framework for highly enantioselective separation of secondary alcohols.
Journal of the American Chemical Society, 2014, 136, 547-549
4122058 CIFC84 H100 F24 N4 O20P 6525.1348; 25.1348; 25.1011
90; 90; 120
13733.3Xu, Yingjie; Kaneko, Keiichi; Kanai, Motomu; Shibasaki, Masakatsu; Matsunaga, Shigeki
Regiodivergent Kinetic Resolution of Terminal and Internal rac-Aziridines with Malonates under Dinuclear Schiff Base Catalysis.
Journal of the American Chemical Society, 2014, 136, 9190-9194
4122510 CIFC12 H18 La O7P 6511.005; 11.005; 21.5849
90; 90; 120
2263.92Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui
Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.
Journal of the American Chemical Society, 2014, 136, 12572-12575
4122511 CIFC12 H18 Ce O7P 6510.9931; 10.9931; 21.518
90; 90; 120
2252.02Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui
Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.
Journal of the American Chemical Society, 2014, 136, 12572-12575
4122512 CIFC12 H18 O7 PrP 6510.9771; 10.9771; 21.421
90; 90; 120
2235.35Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui
Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.
Journal of the American Chemical Society, 2014, 136, 12572-12575
4122513 CIFC12 H18 Nd O7P 6510.982; 10.982; 21.3443
90; 90; 120
2229.34Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui
Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.
Journal of the American Chemical Society, 2014, 136, 12572-12575
4122514 CIFC12 H18 O7 SmP 6510.955; 10.955; 21.226
90; 90; 120
2206.09Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui
Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.
Journal of the American Chemical Society, 2014, 136, 12572-12575
4122516 CIFC12 H18 Eu O7P 6510.942; 10.942; 21.1487
90; 90; 120
2192.84Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui
Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.
Journal of the American Chemical Society, 2014, 136, 12572-12575
4122517 CIFC12 H18 Gd O7P 6510.9392; 10.9392; 21.0904
90; 90; 120
2185.68Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui
Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.
Journal of the American Chemical Society, 2014, 136, 12572-12575
4122518 CIFC12 H18 O7 TbP 6510.9244; 10.9244; 21.0072
90; 90; 120
2171.17Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui
Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.
Journal of the American Chemical Society, 2014, 136, 12572-12575

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