Crystallography Open Database
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Searching journal of publication like 'Journal of the American Chemical Society' volume of publication is 129
COD ID  |
Links | Formula |
Space group |
Cell parameters | Cell volume  |
Bibliography |
|---|---|---|---|---|---|---|
| 4121515 | CIF | Li2 O | F m -3 m | 4.6124; 4.6124; 4.6124 90; 90; 90 | 98.125 | David, W. I. F.; Jones, M. O.; Gregory, D. H.; Jewell, C. M.; Johnson, S. R.; Walton, A.; Edwards, P. P. A mechanism for non-stoichiometry in the lithium amide/lithium imide hydrogen storage reaction Journal of the American Chemical Society, 2007, 129, 1594-1601 |
| 4121514 | CIF | Li2 O | F m -3 m | 4.614; 4.614; 4.614 90; 90; 90 | 98.23 | David, William I. F.; Jones, Martin O.; Gregory, Duncan H.; Jewell, Catherine M.; Johnson, Simon R.; Walton, Allan; Edwards, Peter P. A mechanism for non-stoichiometry in the lithium amide/lithium imide hydrogen storage reaction Journal of the American Chemical Society, 2007, 129, 1594-1601 |
| 4124011 | CIF | H1.3 Li1.7 N | F m -3 m | 4.9996; 4.9996; 4.9996 90; 90; 90 | 124.97 | David, W.I.F.; Gregory, D.H.; Jones, M.O.; Jewell, C.M.; Johnson, S.R.; Edwards, P.P.; Walton, A. A mechanism for non-stoichiometry in the lithium amide/lithium imide hydrogen storage reaction Journal of the American Chemical Society, 2007, 129, 1594-1601 |
| 4124010 | CIF | H1.46 Li1.54 N | F m -3 m | 5.0207; 5.0207; 5.0207 90; 90; 90 | 126.559 | David, W.I.F.; Jones, M.O.; Gregory, D.H.; Johnson, S.R.; Jewell, C.M.; Walton, A.; Edwards, P.P. A mechanism for non-stoichiometry in the lithium amide/lithium imide hydrogen storage reaction Journal of the American Chemical Society, 2007, 129, 1594-1601 |
| 4109804 | CIF HKL | O7.9 Tc4 | P 1 21/c 1 | 5.68908; 4.75461; 5.51948 90; 121.453; 90 | 127.361 | Efrain E. Rodriguez; Frederic Poineau; Anna Llobet; Alfred P. Sattelberger; Joydeep Bhattacharjee; Umesh V. Waghmare; Thomas Hartmann; Anthony K. Cheetham Structural Studies of TcO2 by Neutron Powder Diffraction and First-Principles Calculations Journal of the American Chemical Society, 2007, 129, 10244-10248 |
| 4124108 | CIF | O2 Tc | P 1 21/c 1 | 5.68908; 4.75461; 5.51948 90; 121.453; 90 | 127.361 | Rodriguez, E.E.; Poineau, F.; Llobet, A.; Sattelberger, A.P.; Bhattacharjee, J.; Waghmare, U.V.; Hartmann, T.; Cheetham, A.K. Structural studies of Tc O2 by neutron powder diffraction and first-principles calculation Journal of the American Chemical Society, 2007, 129, 10244-10248 |
| 4124009 | CIF | H1.61 Li1.39 N | F m -3 m | 5.0418; 5.0418; 5.0418 90; 90; 90 | 128.161 | David, W.I.F.; Jones, M.O.; Jewell, C.M.; Gregory, D.H.; Johnson, S.R.; Walton, A.; Edwards, P.P. A mechanism for non-stoichiometry in the lithium amide/lithium imide hydrogen storage reaction Journal of the American Chemical Society, 2007, 129, 1594-1601 |
| 4124008 | CIF | H1.77 Li1.23 N | F m -3 m | 5.0628; 5.0628; 5.0628 90; 90; 90 | 129.769 | David, W.I.F.; Jewell, C.M.; Gregory, D.H.; Jones, M.O.; Johnson, S.R.; Walton, A.; Edwards, P.P. A mechanism for non-stoichiometry in the lithium amide/lithium imide hydrogen storage reaction Journal of the American Chemical Society, 2007, 129, 1594-1601 |
| 4124006 | CIF | H1.92 Li1.08 N | F m -3 m | 5.0713; 5.0713; 5.0713 90; 90; 90 | 130.424 | David, W.I.F.; Jones, M.O.; Johnson, S.R.; Gregory, D.H.; Jewell, C.M.; Edwards, P.P.; Walton, A. A mechanism for non-stoichiometry in the lithium amide/lithium imide hydrogen storage reaction Journal of the American Chemical Society, 2007, 129, 1594-1601 |
| 4109372 | CIF | Co0.012 H2 Ni0.988 O2 | C 1 2/m 1 | 4.8834; 2.9197; 9.243 90; 88.82; 90 | 131.76 | Montse Casas-Cabanas; Jesús Canales-Vázquez; Juan Rodríguez-Carvajal; M. Rosa Palacín Deciphering the Structural Transformations during Nickel Oxyhydroxide Electrode Operation Journal of the American Chemical Society, 2007, 129, 5840-5842 |
| 4124007 | CIF | H1.6 Li1.4 N | F m -3 m | 5.318; 5.318; 5.318 90; 90; 90 | 150.399 | David, W.I.F.; Gregory, D.H.; Jones, M.O.; Jewell, C.M.; Walton, A.; Johnson, S.R.; Edwards, P.P. A mechanism for non-stoichiometry in the lithium amide/lithium imide hydrogen storage reaction Journal of the American Chemical Society, 2007, 129, 1594-1601 |
| 4109719 | CIF | C4 Co Sc3 | I m m m | 3.3935; 4.3687; 11.9851 90; 90; 90 | 177.68 | Benjamin Rohrmoser; Georg Eickerling; Manuel Presnitz; Wolfgang Scherer; Volker Eyert; Rolf-Dieter Hoffmann; Ute Ch. Rodewald; Christian Vogt; Rainer Pöttgen Experimental Electron Density of the Complex Carbides Sc3[Fe(C2)2] and Sc3[Co(C2)2] Journal of the American Chemical Society, 2007, 129, 9356-9365 |
| 4109720 | CIF | C4 Fe Sc3 | I m m m | 3.3689; 4.3818; 12.0959 90; 90; 90 | 178.56 | Benjamin Rohrmoser; Georg Eickerling; Manuel Presnitz; Wolfgang Scherer; Volker Eyert; Rolf-Dieter Hoffmann; Ute Ch. Rodewald; Christian Vogt; Rainer Pöttgen Experimental Electron Density of the Complex Carbides Sc3[Fe(C2)2] and Sc3[Co(C2)2] Journal of the American Chemical Society, 2007, 129, 9356-9365 |
| 4124005 | CIF | H2 Li N | I -4 | 5.04309; 5.04309; 10.2262 90; 90; 90 | 260.08 | David, W.I.F.; Jones, M.O.; Gregory, D.H.; Jewell, C.M.; Edwards, P.P.; Johnson, S.R.; Walton, A. A mechanism for non-stoichiometry in the lithium amide/lithium imide hydrogen storage reaction Journal of the American Chemical Society, 2007, 129, 1594-1601 |
| 4110083 | CIF | C4 H12 B10 O4 | P -1 | 6.6388; 7.1089; 7.1799 78.937; 74.844; 62.838 | 289.96 | Omar K. Farha; Alexander M. Spokoyny; Karen L. Mulfort; M. Frederick Hawthorne; Chad A. Mirkin; Joseph T. Hupp Synthesis and Hydrogen Sorption Properties of Carborane Based Metal-Organic Framework Materials Journal of the American Chemical Society, 2007, 129, 12680-12681 |
| 4109972 | CIF | C4 H5 F3 O3 | P -1 | 5.8633; 5.9866; 9.609 94.583; 91.888; 116.698 | 299.47 | Vadim A. Soloshonok; Hisanori Ueki; Manabu Yasumoto; Shekar Mekala; Jennifer S. Hirschi; Daniel A. Singleton Phenomenon of Optical Self-Purification of Chiral Non-Racemic Compounds Journal of the American Chemical Society, 2007, 129, 12112-12113 |
| 4124087 | CIF | N O4 Ti2.85 | C m c m | 3.804; 9.6486; 9.8688 90; 90; 90 | 362.217 | Hyett, G.; Green, M.A.; Parkin, I.P. The use of combinatorial chemical vapor deposition in the synthesis of Ti(3-delta) O4 N with 0.06 < delta < 0.25: a titanium oxynitride phase isostructural to anosovite Journal of the American Chemical Society, 2007, 129, 15541-15548 |
| 4110139 | CIF | C7 H2 Br F4 N O | P -1 | 4.2896; 5.9991; 15.3706 80.976; 84.419; 88.344 | 388.76 | Christer B. Aakeröy; Meg Fasulo; Nate Schultheiss; John Desper; Curtis Moore Structural Competition between Hydrogen Bonds and Halogen Bonds Journal of the American Chemical Society, 2007, 129, 13772-13773 |
| 4108981 | CIF | C12 H18 N4 O6 U | P -1 | 7.4534; 7.9041; 7.9896 106.47; 93.962; 113.016 | 406.72 | Keith E. Gutowski; Violina A. Cocalia; Scott T. Griffin; Nicholas J. Bridges; David A. Dixon; Robin D. Rogers Interactions of 1-Methylimidazole with UO2(CH3CO2)2 and UO2(NO3)2: Structural, Spectroscopic, and Theoretical Evidence for Imidazole Binding to the Uranyl Ion Journal of the American Chemical Society, 2007, 129, 526-536 |
| 4109157 | CIF | Np2 O5 | P 1 2/c 1 | 8.168; 6.5842; 9.3127 90; 116.089; 90 | 449.81 | Tori Z. Forbes; Peter C. Burns; S. Skanthakumar; L. Soderholm Synthesis, Structure, and Magnetism of Np2O5 Journal of the American Chemical Society, 2007, 129, 2760-2761 |
| 4109036 | CIF | C20 H25 N O4 | P 1 | 6.325; 6.363; 11.963 99.621; 97.89; 93.099 | 468.7 | Javier Adrio; Juan C. Carretero Butenolide Synthesis by Molybdenum-Mediated Hetero-Pauson-Khand Reaction of Alkynyl Aldehydes Journal of the American Chemical Society, 2007, 129, 778-779 |
| 4110146 | CIF | C4 H8 N8 O8 | P 1 21/n 1 | 6.5209; 10.761; 7.3062 90; 102.058; 90 | 501.37 | Elizabeth A. Zhurova; Vladimir V. Zhurov; A. Alan Pinkerton Structure and Bonding in β-HMX-Characterization of a Trans-Annular N...N Interaction Journal of the American Chemical Society, 2007, 129, 13887-13893 |
| 4109988 | CIF | C13 H11 N | P 1 a 1 | 11.261; 7.6685; 5.8855 90; 92.597; 90 | 507.72 | Shinji Yamada; Naoko Uematsu; Kaori Yamashita Role of Cation-π Interactions in the Photodimerization of trans-4-Styrylpyridines Journal of the American Chemical Society, 2007, 129, 12100-12101 |
| 4110212 | CIF | C7 H10 F N3 O3 S | P -1 | 7.169; 7.304; 11.532 72.377; 85.075; 62.944 | 511.6 | Matthew J. Horner; K. Travis Holman; Michael D. Ward Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders Journal of the American Chemical Society, 2007, 129, 14640-14660 |
| 4109897 | CIF | Cu2 Mn2.94 O7.42 S2 Sr4 | I 4/m m m | 3.9046; 3.9046; 34.4682 90; 90; 90 | 525.5 | Geoffrey Hyett; Nicolas Barrier; Simon J. Clarke; Joke Hadermann Topotactic Oxidative and Reductive Control of the Structures and Properties of Layered Manganese Oxychalcogenides Journal of the American Chemical Society, 2007, 129, 11192-11201 |
| 4109397 | CIF | C7 H12 Cu O11 | P -1 | 7.729; 8.805; 9.393 62.493; 81.809; 68.261 | 526.3 | Jarrod F. Eubank; Victor Ch. Kravtsov; Mohamed Eddaoudi Synthesis of Organic Photodimeric Cage Molecules Based on Cycloaddition via Metal-Ligand Directed Assembly Journal of the American Chemical Society, 2007, 129, 5820-5821 |
| 4110206 | CIF | C7 H10 Cl N3 O3 S | P -1 | 7.121; 7.347; 11.661 80.198; 83.673; 63.966 | 539.7 | Matthew J. Horner; K. Travis Holman; Michael D. Ward Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders Journal of the American Chemical Society, 2007, 129, 14640-14660 |
| 4110211 | CIF | C7 H10 Cl N3 O3 S | P -1 | 7.3158; 7.3242; 12.272 73.749; 72.979; 62.076 | 547.6 | Matthew J. Horner; K. Travis Holman; Michael D. Ward Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders Journal of the American Chemical Society, 2007, 129, 14640-14660 |
| 4109513 | CIF | C27 H27 N O4 | P 1 | 6.345; 8.183; 11.894 72.862; 84.838; 68.755 | 549.9 | Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions Journal of the American Chemical Society, 2007, 129, 7407-7420 |
| 4110148 | CIF | F5 K Na Nb O | P n a 21 | 11.8653; 5.8826; 8.1258 90; 90; 90 | 567.17 | Michael R. Marvel; Julien Lesage; Jaewook Baek; P. Shiv Halasyamani; Charlotte L. Stern; Kenneth R. Poeppelmeier Cation-Anion Interactions and Polar Structures in the Solid State Journal of the American Chemical Society, 2007, 129, 13963-13969 |
| 4109270 | CIF | Cd Sb2 Yb2 | C m c 21 | 4.6184; 17.418; 7.178 90; 90; 90 | 577.4 | Sheng-qing Xia; Svilen Bobev Cation-Anion Interactions as Structure Directing Factors: Structure and Bonding of Ca2CdSb2 and Yb2CdSb2 Journal of the American Chemical Society, 2007, 129, 4049-4057 |
| 4109502 | CIF | C11 H14 N2 O3 | P 1 21 1 | 6.433; 5.4926; 16.535 90; 97.711; 90 | 579 | Dushyant Mukkamala; Yong Zhang; Eric Oldfield A Solid State 13C NMR, Crystallographic, and Quantum Chemical Investigation of Phenylalanine and Tyrosine Residues in Dipeptides and Proteins Journal of the American Chemical Society, 2007, 129, 7385-7392 |
| 4109271 | CIF | Ca2 Cd Sb2 | P n m a | 7.2536; 4.603; 17.521 90; 90; 90 | 585 | Sheng-qing Xia; Svilen Bobev Cation-Anion Interactions as Structure Directing Factors: Structure and Bonding of Ca2CdSb2 and Yb2CdSb2 Journal of the American Chemical Society, 2007, 129, 4049-4057 |
| 4101760 | CIF | C4 H17 B11 | P 1 21/m 1 | 7.0551; 11.6875; 8.0262 90; 115.576; 90 | 596.96 | Zhang, Jian; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei Role of c,c'-linkage in the formation and stabilization of supercarboranes. Synthesis and structure of carbon-atoms-apart 13-vertex carborane and 14-vertex metallacarborane. Journal of the American Chemical Society, 2007, 129, 18-19 |
| 4109971 | CIF | C4 H5 F3 O3 | C 1 2 1 | 10.726; 5.892; 10.546 90; 113.55; 90 | 611 | Vadim A. Soloshonok; Hisanori Ueki; Manabu Yasumoto; Shekar Mekala; Jennifer S. Hirschi; Daniel A. Singleton Phenomenon of Optical Self-Purification of Chiral Non-Racemic Compounds Journal of the American Chemical Society, 2007, 129, 12112-12113 |
| 4108996 | CIF | C13 H14 Br N O | P 1 21 1 | 8.44; 7.1595; 10.6031 90; 100.891; 90 | 629.16 | Andre J. B. Lapierre; Steven J. Geib; Dennis P. Curran Low-Temperature Heck Reactions of Axially Chiral o-Iodoacrylanilides Occur with Chirality Transfer: Implications for Catalytic Asymmetric Heck Reactions Journal of the American Chemical Society, 2007, 129, 494-495 |
| 4110093 | CIF | C11 H20 Cu P | P 1 21/m 1 | 7.5926; 10.815; 8.5288 90; 115.828; 90 | 630.37 | Joel A. Tang; Bobby D. Ellis; Timothy H. Warren; John V. Hanna; Charles L. B. Macdonald; Robert W. Schurko Solid-State 63Cu and 65Cu NMR Spectroscopy of Inorganic and Organometallic Copper(I) Complexes Journal of the American Chemical Society, 2007, 129, 13049-13065 |
| 4108987 | CIF | C22 H46 N2 O2 Zn2 | P -1 | 8.1668; 8.1758; 10.7877 67.755; 77.755; 75.47 | 639.83 | Abdessamad Grirrane; Irene Resa; Amor Rodriguez; Ernesto Carmona; Eleuterio Alvarez; Enrique Gutierrez-Puebla; Angeles Monge; Agustín Galindo; Diego del Río; Richard A. Andersen Zinc-Zinc Bonded Zincocene Structures. Synthesis and Characterization of Zn2(η5-C5Me5)2 and Zn2(η5-C5Me4Et)2 Journal of the American Chemical Society, 2007, 129, 693-703 |
| 4110099 | CIF | C8 H3 B O2 | P -6 m 2 | 14.974; 14.974; 3.3986 90; 90; 120 | 659.9 | Adrien P. Côté; Hani M. El-Kaderi; Hiroyasu Furukawa; Joseph R. Hunt; Omar M. Yaghi Reticular Synthesis of Microporous and Mesoporous 2D Covalent Organic Frameworks Journal of the American Chemical Society, 2007, 129, 12914-12915 |
| 4124117 | CIF | O2.33333 Si | P 1 | 9.115429; 9.115429; 8.8639 81.3651; 98.6349; 69.0757 | 663.38 | Zicovich-Wilson, C.M.; Durand-Niconoff, J.S.; San-Roman, M.L.; Camblor, M.A.; Pascale, F. Structure, vibrational analysis, and insights into host-guest interactions in as-synthesized pure silica ITQ-12 zeolite by periodic B3LYP calculations Journal of the American Chemical Society, 2007, 129, 11512-11523 |
| 4109539 | CIF | C13 H15 N O6 | P -1 | 5.499; 11.661; 11.909 64.67; 78; 84.17 | 675.1 | Martin Klussmann; Toshiko Izumi; Andrew J. P. White; Alan Armstrong; Donna G. Blackmond Emergence of Solution-Phase Homochirality via Crystal Engineering of Amino Acids Journal of the American Chemical Society, 2007, 129, 7657-7660 |
| 4110268 | CIF | C16 H18 O4 | P -1 | 7.328; 8.183; 12.226 72.48; 88.5; 76.67 | 679.5 | Ryo Shintani; Soyoung Park; Tamio Hayashi Palladium-Catalyzed Synthesis of Spiro[2.4]heptanes: Ligand-Dependent Position Control in the Nucleophilic Attack to a π-Allylpalladium Intermediate Journal of the American Chemical Society, 2007, 129, 14866-14867 |
| 4109269 | CIF | C24 H41 N3 O7 | P 1 | 6.813; 7.416; 14.072 81.121; 76.345; 83.5 | 680.4 | Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin Journal of the American Chemical Society, 2007, 129, 4039-4048 |
| 4124118 | CIF | O2 Si | P 1 | 9.208837; 9.174551; 8.984374 81.0227; 98.2014; 68.4861 | 680.826 | Zicovich-Wilson, C.M.; San-Roman, M.L.; Camblor, M.A.; Pascale, F.; Durand-Niconoff, J.S. Structure, vibrational analysis, and insights into host-guest interactions in as-synthesized pure silica ITQ-12 zeolite by periodic B3LYP calculations Journal of the American Chemical Society, 2007, 129, 11512-11523 |
| 4110201 | CIF | C15 H21 Br O2 | P 1 21 1 | 5.5792; 9.1278; 13.4765 90; 95.89; 90 | 682.68 | Guang Y. Fang; Olov A. Wallner; Nadia Di Blasio; Xavier Ginesta; Jeremy N. Harvey; Varinder K. Aggarwal Asymmetric Sulfur Ylide Reactions with Boranes: Scope and Limitations, Mechanism and Understanding Journal of the American Chemical Society, 2007, 129, 14632-14639 |
| 4109414 | CIF | C12 H20 N2 O6 | P -1 | 6.1608; 8.56; 13.163 89.066; 79.916; 89.669 | 683.4 | Maria J. Comin; Riad Agbaria; Tsipi Ben-Kasus; Mahmoud Huleihel; Chenzhong Liao; Guangyu Sun; Marc C. Nicklaus; Jeffrey R. Deschamps; Damon A. Parrish; Victor E. Marquez Sculpting the Bicyclo[3.1.0]hexane Template of Carbocyclic Nucleosides to Improve Recognition by Herpes Thymidine Kinase Journal of the American Chemical Society, 2007, 129, 6216-6222 |
| 4109581 | CIF | C17 H15 N O4 | P -1 | 8.0265; 9.2144; 10.8224 104.461; 103.518; 108.685 | 689.92 | Shun Su; John A. Porco Synthesis of Pyrrolo-isoquinolines Related to the Lamellarins Using Silver-Catalyzed Cycloisomerization/Dipolar Cycloaddition Journal of the American Chemical Society, 2007, 129, 7744-7745 |
| 4109822 | CIF | C22 H14 | P -1 | 5.958; 7.596; 15.6096 81.25; 86.56; 89.8 | 696.952 | Stefan Schiefer; Martin Huth; Alexander Dobrinevski; Bert Nickel Determination of the Crystal Structure of Substrate-Induced Pentacene Polymorphs in Fiber Structured Thin Films Journal of the American Chemical Society, 2007, 129, 10316-10317 |
| 4109833 | CIF | C22 H14 | P -1 | 5.958; 7.596; 15.6096 81.25; 86.56; 89.8 | 696.952 | Stefan Schiefer; Martin Huth; Alexander Dobrinevski; Bert Nickel Determination of the Crystal Structure of Substrate-Induced Pentacene Polymorphs in Fiber Structured Thin Films Journal of the American Chemical Society, 2007, 129, 10316-10317 |
| 4109834 | CIF | C22 H14 | P -1 | 5.959; 7.596; 15.6096 81.25; 86.56; 89.8 | 697.069 | Stefan Schiefer; Martin Huth; Alexander Dobrinevski; Bert Nickel Determination of the Crystal Structure of Substrate-Induced Pentacene Polymorphs in Fiber Structured Thin Films Journal of the American Chemical Society, 2007, 129, 10316-10317 |
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