Crystallography Open Database

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4107290 CIFC26 H29 Cl2 F2 I2 P2 PtP -19.2719; 12.7773; 12.8114
97.5703; 98.9282; 92.0227
1483.9Anette Yahav-Levi; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov
Competitive Aryl-Iodide vs Aryl-Aryl Reductive Elimination Reactions in Pt(IV) Complexes: Experimental and Theoretical Studies
Journal of the American Chemical Society, 2008, 130, 724-731
4107291 CIFC16 H20 F I P2 PtP 1 21/n 18.6665; 18.8864; 11.6524
90; 93.018; 90
1904.61Anette Yahav-Levi; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov
Competitive Aryl-Iodide vs Aryl-Aryl Reductive Elimination Reactions in Pt(IV) Complexes: Experimental and Theoretical Studies
Journal of the American Chemical Society, 2008, 130, 724-731
4107292 CIFC16 H16 O3P 21 21 217.6822; 8.574; 19.742
90; 90; 90
1300.35Ngoc T. Vo; Robert D. M. Pace; Fionn O'Har; Matthew J. Gaunt
An Enantioselective Organocatalytic Oxidative Dearomatization Strategy
Journal of the American Chemical Society, 2008, 130, 404-405
4107293 CIFC22 H22 N2 O4 SP 21 21 218.37; 8.8878; 27.3366
90; 90; 90
2033.59Ngoc T. Vo; Robert D. M. Pace; Fionn O'Har; Matthew J. Gaunt
An Enantioselective Organocatalytic Oxidative Dearomatization Strategy
Journal of the American Chemical Society, 2008, 130, 404-405
4107294 CIFC11 H12 Br2 N2C 1 2/c 116.7608; 8.7196; 15.6479
90; 103.459; 90
2224.1Chen Zhang; Chandra Kanta De; Rudrajit Mal; Daniel Seidel
α-Amination of Nitrogen Heterocycles: Ring-Fused Aminals
Journal of the American Chemical Society, 2008, 130, 416-417
4107295 CIFC12 H14 Br2 N2P 1 21/n 118.333; 7.6856; 18.386
90; 108.073; 90
2462.8Chen Zhang; Chandra Kanta De; Rudrajit Mal; Daniel Seidel
α-Amination of Nitrogen Heterocycles: Ring-Fused Aminals
Journal of the American Chemical Society, 2008, 130, 416-417
4107296 CIFC57 H94 N10 O16P 1 21/c 114.0594; 17.0448; 27.588
90; 102.559; 90
6453Naoki Ousaka; Tomohiro Sato; Reiko Kuroda
Intramolecular Crosslinking of an Optically Inactive 310-Helical Peptide: Stabilization of Structure and Helix Sense
Journal of the American Chemical Society, 2008, 130, 463-465
4107297 CIFC117 H168.5 N23.5 O27P b a 224.3532; 29.3664; 17.4082
90; 90; 90
12449.7Naoki Ousaka; Tomohiro Sato; Reiko Kuroda
Intramolecular Crosslinking of an Optically Inactive 310-Helical Peptide: Stabilization of Structure and Helix Sense
Journal of the American Chemical Society, 2008, 130, 463-465
4107298 CIFC26 H25 N O4 SP 21 21 2110.549; 11.907; 36.842
90; 90; 90
4627.6Ming He; Jeffrey W. Bode
Enantioselective, NHC-Catalyzed Bicyclo-β-Lactam Formation via Direct Annulations of Enals and Unsaturated N-Sulfonyl Ketimines
Journal of the American Chemical Society, 2008, 130, 418-419
4107299 CIFC61 H81 B N3 O4P -113.985; 14.281; 17.057
94.387; 113.318; 112.094
2795.1Eiji Tsurumaki; Shohei Saito; Kil Suk Kim; Jong Min Lim; Yasuhide Inokuma; Dongho Kim; Atsuhiro Osuka
Synthesis and Characterization of meso-Aryl-Substituted Subchlorins
Journal of the American Chemical Society, 2008, 130, 438-439
4107300 CIFC61 H78 B N3 O4P -114.0272; 14.2782; 17.054
94.453; 113.348; 112.079
2801Eiji Tsurumaki; Shohei Saito; Kil Suk Kim; Jong Min Lim; Yasuhide Inokuma; Dongho Kim; Atsuhiro Osuka
Synthesis and Characterization of meso-Aryl-Substituted Subchlorins
Journal of the American Chemical Society, 2008, 130, 438-439
4107301 CIFC18 H34 Hf N2P n m a8.1023; 15.3441; 15.9356
90; 90; 90
1981.2Wei Zhang; Lawrence R. Sita
Highly Efficient, Living Coordinative Chain-Transfer Polymerization of Propene with ZnEt2: Practical Production of Ultrahigh to Very Low Molecular Weight Amorphous Atactic Polypropenes of Extremely Narrow Polydispersity
Journal of the American Chemical Society, 2008, 130, 442-443
4107302 CIFC30 H40 B4 Br4 N4 O17P -111.427; 13.496; 15.46
64.761; 80.814; 84.864
2128.3Suk Joong Lee; Kaitlyn C. Gray; James S. Paek; Martin D. Burke
Simple, Efficient, and Modular Syntheses of Polyene Natural Products via Iterative Cross-Coupling
Journal of the American Chemical Society, 2008, 130, 466-468
4107303 CIFC13.5 H22 B2 N O6.25P -16.9032; 16.06; 16.51
87.714; 84.74; 80.831
1798.8Suk Joong Lee; Kaitlyn C. Gray; James S. Paek; Martin D. Burke
Simple, Efficient, and Modular Syntheses of Polyene Natural Products via Iterative Cross-Coupling
Journal of the American Chemical Society, 2008, 130, 466-468
4107304 CIFC27 H40 O3 S2 SiP 21 21 218.3828; 14.6251; 23.336
90; 90; 90
2861Amos B. Smith; Matthew O. Duffey; Kallol Basu; Shawn P. Walsh; Hans W. Suennemann; Michael Frohn
Total Syntheses of the Assigned Structures of Lituarines B and C
Journal of the American Chemical Society, 2008, 130, 422-423
4107305 CIFC34 H59 Cl2 I O8 SiP 1 21 19.719; 10.141; 21.25
90; 98.578; 90
2071Amos B. Smith; Matthew O. Duffey; Kallol Basu; Shawn P. Walsh; Hans W. Suennemann; Michael Frohn
Total Syntheses of the Assigned Structures of Lituarines B and C
Journal of the American Chemical Society, 2008, 130, 422-423
4107306 CIFC10 H12 Ag2 N4I -4 3 d27.2326; 27.2326; 27.2326
90; 90; 90
20196.1Jie-Peng Zhang; Susumu Kitagawa
Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate
Journal of the American Chemical Society, 2008, 130, 907-917
4107307 CIFC60 H72 Cu12 N24C c c a :218.537; 46.211; 34.925
90; 90; 90
29917Jie-Peng Zhang; Susumu Kitagawa
Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate
Journal of the American Chemical Society, 2008, 130, 907-917
4107308 CIFC60 H72 Ag12 N24C c c a :219.2056; 47.9669; 36.2063
90; 90; 90
33354.4Jie-Peng Zhang; Susumu Kitagawa
Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate
Journal of the American Chemical Society, 2008, 130, 907-917
4107309 CIFC10 H12 Cu2 N4I -4 3 d26.407; 26.407; 26.407
90; 90; 90
18414Jie-Peng Zhang; Susumu Kitagawa
Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate
Journal of the American Chemical Society, 2008, 130, 907-917
4107310 CIFC222 H276 Ag30 N60I 41/a :261.7239; 61.7239; 26.9189
90; 90; 90
102557Jie-Peng Zhang; Susumu Kitagawa
Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate
Journal of the American Chemical Society, 2008, 130, 907-917
4107311 CIFC90 H108 Ag18 N36I -4 2 d27.1756; 27.1756; 81.019
90; 90; 90
59834Jie-Peng Zhang; Susumu Kitagawa
Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate
Journal of the American Chemical Society, 2008, 130, 907-917
4107312 CIFC24 H48 As2 K2 O12 Te2P 1 21/n 110.307; 9.951; 18.585
90; 98.394; 90
1885.8Angel Ugrinov; Ayusman Sen; Arthur C. Reber; Meichun Qian; Shiv N. Khanna
[Te2As2]2-: A Planar Motif with "Conflicting" Aromaticity
Journal of the American Chemical Society, 2008, 130, 782-783
4107313 CIFC90 H18.67 La2P 63/m26.564; 26.564; 10.8869
90; 90; 120
6653.1Baopeng Cao; Hidefumi Nikawa; Tsukasa Nakahodo; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Hiroshi Sawa; Zdenek Slanina; Naomi Mizorogi; Shigeru Nagase
Addition of Adamantylidene to La2@C78: Isolation and Single-Crystal X-ray Structural Determination of the Monoadducts
Journal of the American Chemical Society, 2008, 130, 983-989
4107314 CIFC46.5 H45 Cl2 N3 O1.5 P RhP -19.546; 10.848; 18.803
93.51; 91.168; 94.964
1935.6Yoshihiro Matano; Tooru Miyajima; Noriaki Ochi; Takashi Nakabuchi; Motoo Shiro; Yoshihide Nakao; Shigeyoshi Sakaki; Hiroshi Imahori
Syntheses, Structures, and Coordination Chemistry of Phosphole-Containing Hybrid Calixphyrins: Promising Macrocyclic P,N2,X-Mixed Donor Ligands for Designing Reactive Transition-Metal Complexes
Journal of the American Chemical Society, 2008, 130, 990-1002
4107315 CIFC46 H43 Cl2 N2 O PP -111.4831; 13.406; 13.519
80.666; 86.396; 66.557
1884.1Yoshihiro Matano; Tooru Miyajima; Noriaki Ochi; Takashi Nakabuchi; Motoo Shiro; Yoshihide Nakao; Shigeyoshi Sakaki; Hiroshi Imahori
Syntheses, Structures, and Coordination Chemistry of Phosphole-Containing Hybrid Calixphyrins: Promising Macrocyclic P,N2,X-Mixed Donor Ligands for Designing Reactive Transition-Metal Complexes
Journal of the American Chemical Society, 2008, 130, 990-1002
4107316 CIFC50 H51 Cl2 N3 O P RhP 1 21/n 19.57301; 10.8775; 40.2774
90; 90.5195; 90
4193.93Yoshihiro Matano; Tooru Miyajima; Noriaki Ochi; Takashi Nakabuchi; Motoo Shiro; Yoshihide Nakao; Shigeyoshi Sakaki; Hiroshi Imahori
Syntheses, Structures, and Coordination Chemistry of Phosphole-Containing Hybrid Calixphyrins: Promising Macrocyclic P,N2,X-Mixed Donor Ligands for Designing Reactive Transition-Metal Complexes
Journal of the American Chemical Society, 2008, 130, 990-1002
4107317 CIFC45 H39 Au Cl N2 P SP 1 21/c 114.7171; 12.7237; 20.121
90; 96.749; 90
3741.7Yoshihiro Matano; Tooru Miyajima; Noriaki Ochi; Takashi Nakabuchi; Motoo Shiro; Yoshihide Nakao; Shigeyoshi Sakaki; Hiroshi Imahori
Syntheses, Structures, and Coordination Chemistry of Phosphole-Containing Hybrid Calixphyrins: Promising Macrocyclic P,N2,X-Mixed Donor Ligands for Designing Reactive Transition-Metal Complexes
Journal of the American Chemical Society, 2008, 130, 990-1002
4107318 CIFC51 H53 N2 O P PdP -111.056; 13.536; 14.851
108.605; 93.413; 100.105
2057.7Yoshihiro Matano; Tooru Miyajima; Noriaki Ochi; Takashi Nakabuchi; Motoo Shiro; Yoshihide Nakao; Shigeyoshi Sakaki; Hiroshi Imahori
Syntheses, Structures, and Coordination Chemistry of Phosphole-Containing Hybrid Calixphyrins: Promising Macrocyclic P,N2,X-Mixed Donor Ligands for Designing Reactive Transition-Metal Complexes
Journal of the American Chemical Society, 2008, 130, 990-1002
4107319 CIFC46 H42 Cl2 N3 PP 1 21/n 125.9707; 10.16657; 31.7731
90; 113.403; 90
7699Yoshihiro Matano; Tooru Miyajima; Noriaki Ochi; Takashi Nakabuchi; Motoo Shiro; Yoshihide Nakao; Shigeyoshi Sakaki; Hiroshi Imahori
Syntheses, Structures, and Coordination Chemistry of Phosphole-Containing Hybrid Calixphyrins: Promising Macrocyclic P,N2,X-Mixed Donor Ligands for Designing Reactive Transition-Metal Complexes
Journal of the American Chemical Society, 2008, 130, 990-1002
4107320 CIFC31 H39 F3 Ir N OP 1 21/c 110.9623; 22.194; 12.8804
90; 112.154; 90
2902.41Mark R. Ringenberg; Swarna Latha Kokatam; Zachariah M. Heiden; Thomas B. Rauchfuss
Redox-Switched Oxidation of Dihydrogen Using a Non-Innocent Ligand
Journal of the American Chemical Society, 2008, 130, 788-789
4107321 CIFC65 H55 B Cl4 F27 Ir N OP -112.7251; 16.5921; 18.5918
102.098; 102.096; 100.019
3654.24Mark R. Ringenberg; Swarna Latha Kokatam; Zachariah M. Heiden; Thomas B. Rauchfuss
Redox-Switched Oxidation of Dihydrogen Using a Non-Innocent Ligand
Journal of the American Chemical Society, 2008, 130, 788-789
4107322 CIFC74 H208 Co13 N18 O62P 63/m m c21.4287; 21.4287; 23.3492
90; 90; 120
9285.3Graham N. Newton; Geoffrey J. T. Cooper; Paul Kögerler; De-Liang Long; Leroy Cronin
Trading Templates: Supramolecular Transformations between {CoII13} and {CoII12} Nanoclusters
Journal of the American Chemical Society, 2008, 130, 790-791
4107323 CIFC73 H119.5 Cl2 N12.5 O34 ZnP 21 21 2115.19; 16.496; 43.489
90; 90; 90
10897Hiroyuki Miyake; Hiroshi Kamon; Ikuko Miyahara; Hideki Sugimoto; Hiroshi Tsukube
Time-Programmed Peptide Helix Inversion of a Synthetic Metal Complex Triggered by an Achiral NO3- Anion
Journal of the American Chemical Society, 2008, 130, 792-793
4107324 CIFC79 H102 Cl15 N15 O20 ZnP 31 2 115.6682; 15.6682; 37.154
90; 90; 120
7899Hiroyuki Miyake; Hiroshi Kamon; Ikuko Miyahara; Hideki Sugimoto; Hiroshi Tsukube
Time-Programmed Peptide Helix Inversion of a Synthetic Metal Complex Triggered by an Achiral NO3- Anion
Journal of the American Chemical Society, 2008, 130, 792-793
4107325 CIFC19 H22 O7P 1 21/c 110.1639; 12.297; 14.944
90; 109.881; 90
1756.5Wei He; Ildiko R. Herrick; Tulay A. Atesin; Patrick A. Caruana; Colleen A. Kellenberger; Alison J. Frontier
Polarizing the Nazarov Cyclization: The Impact of Dienone Substitution Pattern on Reactivity and Selectivity
Journal of the American Chemical Society, 2008, 130, 1003-1011
4107326 CIFC270 H162 Cu18 O90R -3 c :H18.453; 18.453; 76.976
90; 90; 120
22699.7Shengqian Ma; Daofeng Sun; Jason M. Simmons; Christopher D. Collier; Daqiang Yuan; Hong-Cai Zhou
Metal-Organic Framework from an Anthracene Derivative Containing Nanoscopic Cages Exhibiting High Methane Uptake
Journal of the American Chemical Society, 2008, 130, 1012-1016
4107327 CIFC89 H100 Cl3 Eu N17 O13.5 S3P 1 21/c 114.4595; 15.5595; 43.521
90; 96.035; 90
9737.2Gabriel Canard; Sylvain Koeller; Gérald Bernardinelli; Claude Piguet
Effective Concentration as a Tool for Quantitatively Addressing Preorganization in Multicomponent Assemblies: Application to the Selective Complexation of Lanthanide Cations
Journal of the American Chemical Society, 2008, 130, 1025-1040
4107328 CIFC65 H96 B2 Cl8 F8 N4 Ni O P4P 21 21 2112.5244; 18.3649; 32.6093
90; 90; 90
7500.4Aaron D. Wilson; Kendra Fraze; Brendan Twamley; Susie M. Miller; Daniel L. DuBois; M. Rakowski DuBois
The Role of the Second Coordination Sphere of [Ni(PCy2NBz2)2](BF4)2 in Reversible Carbon Monoxide Binding
Journal of the American Chemical Society, 2008, 130, 1061-1068
4107329 CIFC73 H112 B2 F8 N6 Ni O P4P 21 21 2112.5357; 17.9197; 33.6355
90; 90; 90
7555.7Aaron D. Wilson; Kendra Fraze; Brendan Twamley; Susie M. Miller; Daniel L. DuBois; M. Rakowski DuBois
The Role of the Second Coordination Sphere of [Ni(PCy2NBz2)2](BF4)2 in Reversible Carbon Monoxide Binding
Journal of the American Chemical Society, 2008, 130, 1061-1068
4107330 CIFC42 H40 N2 O18 Zn4F m -3 m39.938; 39.938; 39.938
90; 90; 90
63703Hyungphil Chun
Low-Level Self-Assembly of Open Framework Based on Three Different Polyhedra: Metal-Organic Analogue of Face-Centered Cubic Dodecaboride
Journal of the American Chemical Society, 2008, 130, 800-801
4107331 CIFC28 H36 N2 O5 S SiP 1 21/c 110.51; 25.71; 11.552
90; 114.11; 90
2849Yuji Onizawa; Hiroyuki Kusama; Nobuharu Iwasawa
Efficient Control of π-Alkyne and Vinylidene Complex Pathways for the W(CO)5(L)-Catalyzed Synthesis of Two Types of Nitrogen-Containing Bicyclic Compounds
Journal of the American Chemical Society, 2008, 130, 802-803
4107332 CIFC15 H19 N O4 SP 1 21/c 17.9221; 30.679; 6.319
90; 100.367; 90
1510.71Yuji Onizawa; Hiroyuki Kusama; Nobuharu Iwasawa
Efficient Control of π-Alkyne and Vinylidene Complex Pathways for the W(CO)5(L)-Catalyzed Synthesis of Two Types of Nitrogen-Containing Bicyclic Compounds
Journal of the American Chemical Society, 2008, 130, 802-803
4107333 CIFC96 H18 Cl2 La2P b c a21.944; 22.017; 20.452
90; 90; 90
9881.2Michio Yamada; Chika Someya; Takatsugu Wakahara; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Michael T. H. Liu; Naomi Mizorogi; Shigeru Nagase
Metal Atoms Collinear with the Spiro Carbon of 6,6-Open Adducts, M2@C80(Ad) (M = La and Ce, Ad = Adamantylidene)
Journal of the American Chemical Society, 2008, 130, 1171-1176
4107334 CIFC96 H18 Cl2 La2P b c a22.031; 22.122; 20.498
90; 90; 90
9990Michio Yamada; Chika Someya; Takatsugu Wakahara; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Michael T. H. Liu; Naomi Mizorogi; Shigeru Nagase
Metal Atoms Collinear with the Spiro Carbon of 6,6-Open Adducts, M2@C80(Ad) (M = La and Ce, Ad = Adamantylidene)
Journal of the American Chemical Society, 2008, 130, 1171-1176
4107335 CIFC96 H18 Cl2 La2P b c a21.966; 22.066; 20.473
90; 90; 90
9923Michio Yamada; Chika Someya; Takatsugu Wakahara; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Michael T. H. Liu; Naomi Mizorogi; Shigeru Nagase
Metal Atoms Collinear with the Spiro Carbon of 6,6-Open Adducts, M2@C80(Ad) (M = La and Ce, Ad = Adamantylidene)
Journal of the American Chemical Society, 2008, 130, 1171-1176
4107336 CIFC96 H18 Cl2 La2P b c a21.958; 22.035; 20.4625
90; 90; 90
9900.7Michio Yamada; Chika Someya; Takatsugu Wakahara; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Michael T. H. Liu; Naomi Mizorogi; Shigeru Nagase
Metal Atoms Collinear with the Spiro Carbon of 6,6-Open Adducts, M2@C80(Ad) (M = La and Ce, Ad = Adamantylidene)
Journal of the American Chemical Society, 2008, 130, 1171-1176
4107337 CIFC42 H53 Cl Mo N2 O2P b c n10.4875; 17.2088; 21.1554
90; 90; 90
3818.1Soumya Sarkar; Adam R. Carlson; Melanie K. Veige; Joseph M. Falkowski; Khalil A. Abboud; Adam S. Veige
Synthesis, Characterization, and Reactivity of a d2, Mo(IV) Complex Supported by a New OCO-Trianionic Pincer Ligand
Journal of the American Chemical Society, 2008, 130, 1116-1117
4107338 CIFC36 H57 Mo N3 O4P -18.5921; 11.8394; 18.796
87.278; 89.349; 69.916
1793.7Soumya Sarkar; Adam R. Carlson; Melanie K. Veige; Joseph M. Falkowski; Khalil A. Abboud; Adam S. Veige
Synthesis, Characterization, and Reactivity of a d2, Mo(IV) Complex Supported by a New OCO-Trianionic Pincer Ligand
Journal of the American Chemical Society, 2008, 130, 1116-1117
4107339 CIFC31 H41 Br0 Mo N3 O3P 1 21/c 111.3721; 18.4744; 14.49
90; 102; 90
2977.7Soumya Sarkar; Adam R. Carlson; Melanie K. Veige; Joseph M. Falkowski; Khalil A. Abboud; Adam S. Veige
Synthesis, Characterization, and Reactivity of a d2, Mo(IV) Complex Supported by a New OCO-Trianionic Pincer Ligand
Journal of the American Chemical Society, 2008, 130, 1116-1117

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