Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000179 | CIF | F3 Fe Na0.11 | R -3 c :R | 5.372; 5.372; 5.372 58.85; 58.85; 58.85 | 106.7 | de Pape, R; Tressaud, A; Portier, J Sur de nouvelles series de bronzes fluores de composition M~x~ Fe F~3~ (M = Na, Rb, Tl) Materials Research Bulletin, 1968, 3, 753-758 |
| 1001452 | CIF | Ba2 Cu3 O7 Y | P m m m | 3.8128; 3.8806; 11.6303 90; 90; 90 | 172.1 | Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction Europhysics Letters, 1987, 3, 1301-1307 |
| 1001453 | CIF | Ba2 Cu3 O7 Y | P m m m | 3.8124; 3.8807; 11.6303 90; 90; 90 | 172.1 | Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction Europhysics Letters, 1987, 3, 1301-1307 |
| 1001454 | CIF | Ba2 Cu3 O7 Y | P m m m | 3.8131; 3.8806; 11.6329 90; 90; 90 | 172.1 | Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction Europhysics Letters, 1987, 3, 1301-1307 |
| 1001455 | CIF | Ba2 Cu3 O7 Y | P m m m | 3.8141; 3.8812; 11.6395 90; 90; 90 | 172.3 | Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction Europhysics Letters, 1987, 3, 1301-1307 |
| 1001456 | CIF | Ba2 Cu3 O7 Y | P m m m | 3.8164; 3.8824; 11.6546 90; 90; 90 | 172.7 | Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction Europhysics Letters, 1987, 3, 1301-1307 |
| 1001457 | CIF | Ba2 Cu3 O7 Y | P m m m | 3.8206; 3.8851; 11.6757 90; 90; 90 | 173.3 | Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction Europhysics Letters, 1987, 3, 1301-1307 |
| 1004071 | CIF | Bi1.72 O3 Sr0.53 | R -3 m :H | 3.971; 3.971; 28.41 90; 90; 120 | 388 | Boivin, J C; Thomas, D J Structural investigations on bismuth-based oxides Solid State Ionics, 1981, 3, 457-462 |
| 1005034 | CIF | Ba6 Ni25 S27 | P m -3 m | 10.0565; 10.0565; 10.0565 90; 90; 90 | 1017 | Gelabert, M C; Ho, M H; Malik, A-S; DiSalvo, F J; Deniard, P; Brec, R Structure and properties of Ba6 Ni25 S27 Chemistry - A European Journal, 1997, 3, 1884-1889 |
| 1006040 | CIF | F4 H2 K Mn O | C 1 2/c 1 | 13.7546; 6.1406; 10.3343 90; 104.23; 90 | 846.1 | Palacio, F; Andres, M; Rodriguez-Carvajal, J; Pannetier, J Magnetic structures of the MnIII weak ferromagnets AMnF~4~.H~2~O (A=Rb and K) Journal of Physics: Condensed Matter, 1991, 3, 2379-2390 |
| 1006041 | CIF | F4 H2 Mn O Rb | C 1 2/c 1 | 13.8323; 6.4285; 10.4837 90; 103.98; 90 | 904.6 | Palacio, F; Andres, M; Rodriguez-Carvajal, J; Pannetier, J Magnetic structures of the MnIII weak ferromagnets AMnF~4~.H~2~O (A=Rb and K) Journal of Physics: Condensed Matter, 1991, 3, 2379-2390 |
| 1006042 | CIF | La2 Ni O4 | B m a b | 5.4618; 5.4967; 12.561 90; 90; 90 | 377.1 | Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~ Journal of Physics: Condensed Matter, 1991, 3, 3215-3234 |
| 1006043 | CIF | La2 Ni O4 | P 42/n c m :2 | 5.4995; 5.4995; 12.5052 90; 90; 90 | 378.2 | Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~ Journal of Physics: Condensed Matter, 1991, 3, 3215-3234 |
| 1006044 | CIF | La2 Ni O4 | B m a b | 5.4419; 5.5364; 12.4896 90; 90; 90 | 376.3 | Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~ Journal of Physics: Condensed Matter, 1991, 3, 3215-3234 |
| 1006045 | CIF | La2 Ni O4 | B m a b | 5.4499; 5.5275; 12.5118 90; 90; 90 | 376.9 | Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~ Journal of Physics: Condensed Matter, 1991, 3, 3215-3234 |
| 1006047 | CIF | La2 Ni O4.15 | I 4/m m m (a+b,-a+b,c) | 5.45514; 5.45514; 12.6461 90; 90; 90 | 376.3 | Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~ Journal of Physics: Condensed Matter, 1991, 3, 3215-3234 |
| 1006048 | CIF | La2 Ni O4.1 | I 4/m m m (a+b,-a+b,c) | 5.4897; 5.4897; 12.5708 90; 90; 90 | 378.8 | Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~ Journal of Physics: Condensed Matter, 1991, 3, 3215-3234 |
| 1006049 | CIF | Bi4 Cu5 O19.06 Sr7.86 | F m m m | 5.3671; 33.9719; 24.0722 90; 90; 90 | 4389.1 | Caldes, M T; Navarro, J M; Perez, F; Carrera, M; Fontcuberta, J; Casan-Pastor, N; Miravitlles, C; Obradors, X; Rodriguez-Carjaval, J; Gonzalez-Calbet, J M; Vallet-Regi, M; Garcia, A; Fuertes, A Electron microscopy, neutron diffraction and physical properties ofBi~4~Sr~8~Cu~5~O~19+y~ Chemistry of Materials (1,1989-, 1991, 3, 844-852 |
| 1006097 | CIF | Cu La2 O6 Ti | P n m a | 5.6262; 7.8396; 5.5702 90; 90; 90 | 245.7 | Palacin, M R; Bassas, J; Rodriguez-Carvajal, J; Gomez-Romero, P Syntheses of the perovskite La2 Cu Ti O6 by the ceramic, oxide precursors and sol-gel methods, and study of the structure and Cu-Ti distribution by X-ray and neutron diffraction Journal of Materials Chemistry, 1993, 3, 1171-1177 |
| 1008258 | CIF | Co La O4 Sr | I 4/m m m | 3.796; 3.796; 12.447 90; 90; 90 | 179.4 | Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie, 1979, 3, 171-174 |
| 1008259 | CIF | Co La O4 Sr | I 4/m m m | 3.799; 3.799; 12.454 90; 90; 90 | 179.7 | Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie, 1979, 3, 171-174 |
| 1008260 | CIF | Co La O4 Sr | I 4/m m m | 3.806; 3.806; 12.5 90; 90; 90 | 181.1 | Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie, 1979, 3, 171-174 |
| 1008261 | CIF | Co La O4 Sr | I 4/m m m | 3.807; 3.807; 12.52 90; 90; 90 | 181.5 | Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie, 1979, 3, 171-174 |
| 1008262 | CIF | Co La O4 Sr | I 4/m m m | 3.811; 3.811; 12.554 90; 90; 90 | 182.3 | Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie, 1979, 3, 171-174 |
| 1008263 | CIF | Co La O4 Sr | I 4/m m m | 3.817; 3.817; 12.6 90; 90; 90 | 183.6 | Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie, 1979, 3, 171-174 |
| 1008264 | CIF | Co La O4 Sr | I 4/m m m | 3.824; 3.824; 12.659 90; 90; 90 | 185.1 | Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie, 1979, 3, 171-174 |
| 1008481 | CIF | Cu La1.85 O4 Sr0.15 | I 4/m m m | 3.7793; 3.7793; 13.2 90; 90; 90 | 188.5 | Decroux, M; Junod, A; Bezinge, A; Cattani, D; Cors, J; Jorda, L; Stettler, A; Francois, M; Yvon, K; Fischer, O; Muller, J Structure, Resistivity, Critical Field, Specific-Heat Jump at T~c~, Meissner Effect, a.c. and d.c. Susceptibility of the High-Temperature Superconductor La~2-x~ Sr~x~ Cu O~4~. Europhysics Letters, 1987, 3, 1035-1040 |
| 1010325 | CIF | P | B m a b | 3.31; 4.38; 10.5 90; 90; 90 | 152.2 | Hultgren, R; Gingrich, N S; Warren, B E The Atomic Distribution in Red and Black Phosphorus and the Crystal Structure of Black Phosphorus Journal of Chemical Physics, 1935, 3, 351-355 |
| 1010328 | CIF | Cl2 | P 42/n c m :1 | 8.56; 8.56; 6.12 90; 90; 90 | 448.4 | Keesom, Willem Hendrik; Taconis, Krijn Wijbren On the crystal structure of chlorine Physica (The Hague) (1,1934-17,1951), 1936, 3, 237-242 |
| 1010517 | CIF | Cl6 H4 K3 O2 Tl | I 4/m m m | 15.841; 15.841; 18.005 90; 90; 90 | 4518.1 | Hoard, J L; Goldstein, L The Structure of Potassium Hexachlorothalliate Dihydrate Journal of Chemical Physics, 1935, 3, 645-649 |
| 1010518 | CIF | Br6 H2.286 O1.143 Rb3 Tl | I 4/m m m | 16.95; 16.95; 19.45 90; 90; 90 | 5588 | Hoard, J L; Goldstein, L The Structure of Potassium Hexachlorothalliate Dihydrate Journal of Chemical Physics, 1935, 3, 645-649 |
| 1010604 | CIF | Ag2 O | P n -3 :1 | 4.76; 4.76; 4.76 90; 90; 90 | 107.9 | Wyckoff, R W G The Crystal Structure of Silver Oxide (Ag~2~ O) American Journal of Science, Serie 5(1,1921-1938), 1922, 3, 184-188 |
| 1010844 | CIF | As2 Cl9 Cs3 | 7.37; 7.37; 8.91 90; 90; 120 | 419.1 | Hoard, J L; Goldstein, L The structure of Caesium Enneachlordiarsenite Journal of Chemical Physics, 1935, 3, 117-122 | |
| 1010847 | CIF | H16 O12 S Sm | C 1 2/c 1 | 20.3; 6.76; 13.53 90; 118.3; 90 | 1634.8 | Zachariasen, W H Note on the Crystal Lattice of Samarium Sulphate Octo-Hydrate Journal of Chemical Physics, 1935, 3, 197-198 |
| 1010869 | CIF | Cl9 Cs3 Tl2 | R -3 c RS | 9.58; 9.58; 9.58 83.8; 83.8; 83.8 | 864.8 | Hoard, J L; Goldstein, L The Crystal Structure of Cesium Enneachlordithalliate, Cs~3~ Tl~2~ Cl~9~ Journal of Chemical Physics, 1935, 3, 199-202 |
| 1010974 | CIF | Cr N | F m -3 m | 4.144; 4.144; 4.144 90; 90; 90 | 71.2 | Blix, R Roentgenanalyse des Chrom-Stickstoffsystems nebst einer orientierten Konstitutionsuntersuchung des stickstoffhaltigen Ferrochroms Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 3, 229-239 |
| 1010978 | CIF | F K | F m -3 m | 5.3437; 5.3437; 5.3437 90; 90; 90 | 152.6 | Broch, E; Oftedal, I; Pabst, A Neubestimmung der Gitterkonstanten von KF, CsCl und BaF2 Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 3, 209-214 |
| 1011025 | CIF | Ag I | P 63 m c S | 4.59; 4.59; 7.52 90; 90; 120 | 137.2 | Helmholz, L The Crystal Structure of Hexagonal Silver Iodide Journal of Chemical Physics, 1935, 3, 740-747 |
| 1011026 | CIF | Fe H O2 | A m a m | 3.87; 12.51; 3.06 90; 90; 90 | 148.1 | Ewing, F J The Crystal Structure of Lepidocrocite Journal of Chemical Physics, 1935, 3, 420-424 |
| 1011027 | CIF | Al H O2 | P b n m | 4.4; 9.39; 2.84 90; 90; 90 | 117.3 | Ewing, F J The Crystal Structure of Diaspore Journal of Chemical Physics, 1935, 3, 203-207 |
| 1011160 | CIF | S8 | F d d d :1 | 10.48; 12.92; 24.54999 90; 90; 90 | 3324.1 | Warren, B E; Burwell, J T The structure of rhombic sulphur Journal of Chemical Physics, 1935, 3, 6-8 |
| 1100249 | CIF | C21 H29 N O3 | P 21 21 21 | 7.2624; 8.541; 30.4681 90; 90; 90 | 1889.88 | Bach, Thorsten; Bergmann, Hermann; Harms, Klaus Enantioselective Photochemical Reactions of 2-Pyridones in Solution Organic Letters, 2001, 3, 601-603 |
| 1500045 | CIF | C14 H10 Br2 N2 O7 Ru | P 1 21/c 1 | 6.5744; 19.604; 13.4362 90; 92.7382; 90 | 1729.74 | Luukkanen, Saija; Haukka, Matti; Eskelinen, Esa; Pakkanen, Tapani A.; Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkiö, Pasi; Korppi-Tommola, Jouko Photochemical reactivity of halogen-containing ruthenium‒dcbpy (dcbpy = 4,4'-dicarboxylic acid-2,2'-bipyridine) compounds, trans(Br)-[Ru(dcbpy)(CO)2Br2] and trans(I)-[Ru(dcbpy)(CO)2I2] Physical Chemistry Chemical Physics, 2001, 3, 1992 |
| 1507245 | CIF | C14 H6 N2 O4 | P -1 | 7.6345; 8.1774; 8.9355 89.56; 71.295; 80.065 | 519.78 | Keeling, D. L.; Oxtoby, N. S.; Wilson, C.; Humphry, M. J.; Champness, N. R.; Beton, P. H. Assembly and Processing of Hydrogen Bond Induced Supramolecular Nanostructures Nano Letters, 2003, 3, 9 |
| 1507500 | CIF | C7 H9 N5 | P 1 21/c 1 | 8.712; 12.524; 8.438 90; 117.2; 90 | 818.9 | Pedireddi, V. R.; Ranganathan, Anupama; Ganesh, Krishna N. Cyanurate Mimics of Hydrogen-Bonding Patterns of Nucleic Bases: Crystal Structure of a 1:1 Molecular Complex of 9-Ethyladenine andN-Methylcyanuric Acid Organic Letters, 2001, 3, 99 |
| 1507501 | CIF | C20 H20 Cl N O2 S | P -1 | 6.15; 10.433; 14.725 74.73; 87.33; 86.8 | 909.5 | Greig, Ian R.; Tozer, Matthew J.; Wright, Paul T. Synthesis of Cyclic Sulfonamides through Intramolecular Diels−Alder Reactions Organic Letters, 2001, 3, 369 |
| 1507502 | CIF | C21 H22 Cl N O2 S | P 1 21 1 | 12.398; 9.766; 16.128 90; 95.65; 90 | 1943.3 | Greig, Ian R.; Tozer, Matthew J.; Wright, Paul T. Synthesis of Cyclic Sulfonamides through Intramolecular Diels−Alder Reactions Organic Letters, 2001, 3, 369 |
| 1507503 | CIF | C15 H13 N O2 | P 1 21/c 1 | 13.0629; 5.3745; 17.45 90; 99.449; 90 | 1208.5 | Mandel, Sarah M.; Krause Bauer, Jeanette A.; Gudmundsdottir, Anna D. Photolysis of α-Azidoacetophenones: Trapping of Triplet Alkyl Nitrenes in Solution Organic Letters, 2001, 3, 523 |
| 1507504 | CIF | C70 H81 Cl3 N6 O9 | P -1 | 15.8166; 15.9376; 16.5142 68.705; 66.989; 67.819 | 3432.7 | Ballester, Pablo; Capó, Magdalena; Costa, Antoni; Deyà, Pere M.; Gomila, Rosa; Decken, Andreas; Deslongchamps, Ghislain Selective Binding ofcis-1,3,5-Cyclohexane Tricarboxylic Acid vs Its EpimerictransIsomer by a Tripodal Amidopyridine Receptor; Crystal Structures of the 1:1 Complexes Organic Letters, 2001, 3, 267 |
| 1507505 | CIF | C71 H84 N6 O9 | C 1 2/c 1 | 17.264; 29.223; 28.645 90; 95.776; 90 | 14378 | Ballester, Pablo; Capó, Magdalena; Costa, Antoni; Deyà, Pere M.; Gomila, Rosa; Decken, Andreas; Deslongchamps, Ghislain Selective Binding ofcis-1,3,5-Cyclohexane Tricarboxylic Acid vs Its EpimerictransIsomer by a Tripodal Amidopyridine Receptor; Crystal Structures of the 1:1 Complexes Organic Letters, 2001, 3, 267 |
| 1507506 | CIF | C21 H26 N2 O2 | P 65 | 10.0689; 10.0689; 30.962 90; 90; 120 | 2718.5 | Myers, Andrew G.; Barbay, Joseph K. On the Inherent Instability of α-Amino α‘-Fluoro Ketones. Evidence for Their Transformation to Reactive Oxyvinyliminium Ion Intermediates Organic Letters, 2001, 3, 425 |
| 1507507 | CIF | C25 H15 F12 N O Se | P 1 21/n 1 | 9.701; 15.335; 16.841 90; 101.446; 90 | 2455.52 | Kano, Naokazu; Daicho, Yuya; Nakanishi, Nobuhito; Kawashima, Takayuki Synthesis, Crystal Structure, and Thermolysis of the First Tetracoordinate 1λ4,2-Selenazetidines: Aziridine Formation Reaction from a Four-Membered Heterocycle Bearing Highly Coordinate Selenium Organic Letters, 2001, 3, 691 |
| 1507508 | CIF | C15 H18 O4 | P -1 | 11.471; 14.158; 17.121 73.02; 89.26; 89.44 | 2659.1 | Ranganathan, Subramania; Muraleedharan, K. M.; Rao, CH. Chandrashekhar; Vairamani, M.; Karle, Isabella L. One-Step Transformation of Tricyclopentabenzene (Trindane, C15H18) to Bicyclo(10.3.0)pentadec-1(12)ene- 2,6,7,11-tetrone (C15H18O4) and Its Aldol Product, 12-Hydroxy-16-oxatetracyclo(10.3.1.0.1,507,11)hexadec-7(11)ene-2,6-dione (C15H18O4)⊥ Organic Letters, 2001, 3, 2447 |
| 1507509 | CIF | C12 H10 S2 | P 21 21 21 | 23.455; 8.073; 5.524 90; 90; 90 | 1046 | Shimizu, Toshio; Isono, Hiromi; Yasui, Masanori; Iwasaki, Fujiko; Kamigata, Nobumasa Solid State Optical Activity of Dichalcogenides: Isolation by Chiral Crystallization and Determination of Absolute Configuration Organic Letters, 2001, 3, 3639 |
| 1507510 | CIF | C13 H14 Br Cl O3 | P 1 21 1 | 9.0192; 4.9332; 15.1987 90; 106.981; 90 | 646.76 | Evans, David A.; Burch, Jason D. Asymmetric Synthesis of the Chlorocyclopropane-Containing Callipeltoside A Side Chain Organic Letters, 2001, 3, 503 |
| 1507511 | CIF | C28 H32 N2 O3 | P 1 21/c 1 | 9.3178; 26.18; 9.0683 90; 90.272; 90 | 2212.1 | Nelsen, Stephen F.; Li, Gaoquan; Konradsson, Asgeir Twist-Dependent Electronic Coupling in an Organic Intervalence Radical Cation Organic Letters, 2001, 3, 1583 |
| 1507512 | CIF | C24 H25 Br2 O6 | P 1 21 1 | 9.8354; 9.7459; 12.7953 90; 92.642; 90 | 1225.2 | Hu, Yongbo; Li, Chaomin; Kulkarni, Bheemashankar A.; Strobel, Gary; Lobkovsky, Emil; Torczynski, Richard M.; Porco, John A. Exploring Chemical Diversity of Epoxyquinoid Natural Products: Synthesis and Biological Activity of (−)-Jesterone and Related Molecules Organic Letters, 2001, 3, 1649 |
| 1507513 | CIF | C17 H30 O4 | P -1 | 8.653; 10.035; 12.381 102.262; 110.021; 103.18 | 932.6 | de Armas, Pedro; García-Tellado, Fernando; Marrero-Tellado, José J.; Tejedor, David; Maestro, Miguel A.; Gonzalez-Platas, Javier Alkynoates as a Source of Reactive Alkylinides for Aldehyde Addition Reactions Organic Letters, 2001, 3, 1905 |
| 1507514 | CIF | C15 H12 N2 S5 | P 1 21/c 1 | 19.646; 5.849; 29.643 90; 101.67; 90 | 3335.8 | Jia, Chunyang; Zhang, Deqing; Xu, Wei; Zhu, Daoben A New Approach to 4-Alkylthio-1,3-dithiole-2-thione: An Unusual Reaction of a Zinc Complex of 1,3-Dithole-2-thione-4,5-dithiolate Organic Letters, 2001, 3, 1941 |
| 1507515 | CIF | C9 H7 N S4 | C 1 2/c 1 | 12.996; 7.934; 22.205 90; 109.62; 90 | 2156.6 | Jia, Chunyang; Zhang, Deqing; Xu, Wei; Zhu, Daoben A New Approach to 4-Alkylthio-1,3-dithiole-2-thione: An Unusual Reaction of a Zinc Complex of 1,3-Dithole-2-thione-4,5-dithiolate Organic Letters, 2001, 3, 1941 |
| 1507516 | CIF | C70 H100 B4 O26 | P -1 | 12.105; 12.145; 13.547 74.72; 66.281; 81.38 | 1756.8 | Davis, Claude J.; Lewis, Patrick T.; Billodeaux, Damon R.; Fronczek, Frank R.; Escobedo, Jorge O.; Strongin, Robert M. Solid-State Supramolecular Structures of Resorcinol−Arylboronic Acid Compounds Organic Letters, 2001, 3, 2443 |
| 1507517 | CIF | C23 H37 N O5 S Si | P 1 21 1 | 10.6837; 6.2994; 18.8641 90; 102.031; 90 | 1241.68 | Fenster, Michaël D. B.; Patrick, Brian O.; Dake, Gregory R. Construction of Azaspirocyclic Ketones through α-Hydroxyiminium Ion or α-Siloxy Epoxide Semipinacol Rearrangements Organic Letters, 2001, 3, 2109 |
| 1507518 | CIF | C24 H26 N2 O7 S | P 1 21/n 1 | 21.9379; 13.6295; 23.4087 90; 95.352; 90 | 6968.7 | Fenster, Michaël D. B.; Patrick, Brian O.; Dake, Gregory R. Construction of Azaspirocyclic Ketones through α-Hydroxyiminium Ion or α-Siloxy Epoxide Semipinacol Rearrangements Organic Letters, 2001, 3, 2109 |
| 1507519 | CIF | C16 H11 Cl3 O S3 | A b a 2 | 24.646; 10.612; 13.602 90; 90; 90 | 3557.5 | Marsella, Michael J.; Yoon, Kunsang; Tham, Fook S. Synthesis and Crystal Structure of a Tubular Sexithiophene Organic Letters, 2001, 3, 2129 |
| 1507520 | CIF | C13 H12 O3 | P b c a | 8.1348; 12.0317; 20.4322 90; 90; 90 | 1999.81 | Harmata, Michael; Rashatasakhon, Paitoon A 4 + 3 Cycloaddition Approach to the Synthesis of Spatol. A Formal Total Synthesis of Racemic Spatol Organic Letters, 2001, 3, 2533 |
| 1507521 | CIF | C15 H20 O2 | P -1 | 8.9084; 10.0653; 14.7694 84.534; 84.355; 78.48 | 1287.45 | Loh, Teck-Peng; Hu, Qi-Ying; Tan, Kui-Thong; Cheng, Hin-Soon Diverse Cyclization Catalyzed by In(OTf)3for the Convergent Assembly of Substituted Tetrahydrofurans and Tetrahydropyrans Organic Letters, 2001, 3, 2669 |
| 1507522 | CIF | C16 H26 O5 S | P 21 21 21 | 6.4313; 11.6244; 22.4048 90; 90; 90 | 1674.98 | Yu, Ming; Lynch, Vincent; Pagenkopf, Brian L. Intramolecular Cyclopropanation of Glycals: Studies toward the Synthesis of Canadensolide, Sporothriolide, and Xylobovide Organic Letters, 2001, 3, 2563 |
| 1507523 | CIF | C42 H24 | P 1 21/n 1 | 15.01; 9.2219; 20.202 90; 101.725; 90 | 2738 | Neudorff, Wolf Dietrich; Schulte, Niels; Lentz, Dieter; Schlüter, A. Dieter 8,9-Didehydrofluoranthenes as Building Blocks for the Synthesis of Extended Polycyclic Aromatic Hydrocarbons (PAHs) Organic Letters, 2001, 3, 3115 |
| 1507524 | CIF | C17 H23 N3 O5 | P 1 21/n 1 | 7.926; 8.64; 26.257 90; 93.35; 90 | 1795 | Hughes, Freddie; Grossman, Robert B. A Heterocycle-Forming Double Michael Reaction. [5 + 1] Annulation Route to Highly Substituted and Functionalized Piperidines Organic Letters, 2001, 3, 2911 |
| 1507525 | CIF | C14 H21 N3 O5 | P 21 21 21 | 6.563; 10.748; 22.495 90; 90; 90 | 1586.78 | Hughes, Freddie; Grossman, Robert B. A Heterocycle-Forming Double Michael Reaction. [5 + 1] Annulation Route to Highly Substituted and Functionalized Piperidines Organic Letters, 2001, 3, 2911 |
| 1507526 | CIF | C20 H25 F3 N2 O8 | C 1 2/c 1 | 29.928; 9.445; 18.951 90; 120.43; 90 | 4619 | Hughes, Freddie; Grossman, Robert B. A Heterocycle-Forming Double Michael Reaction. [5 + 1] Annulation Route to Highly Substituted and Functionalized Piperidines Organic Letters, 2001, 3, 2911 |
| 1507527 | CIF | C11 H15 Br O4 | P 1 21/n 1 | 12.541; 8.7123; 12.566 90; 118.02; 90 | 1212 | Runcie, Karen A.; Taylor, Richard J. K. A Short and Efficient Route to Novel Scyphostatin Analogues Organic Letters, 2001, 3, 3237 |
| 1507528 | CIF | C18 H20 | P 1 21/n 1 | 7.069; 18.263; 5.618 90; 110.236; 90 | 680.5 | Tukada, Hideyuki; Mochizuki, Katsura Long-Range Magnetic Interactions intrans-1,4-Cyclohexylene- and 1,3-Adamantylene-bis(p-nitrenylbenzene) by π−σ−π Hyperconjugation Organic Letters, 2001, 3, 3305 |
| 1507529 | CIF | C22 H24 | P 3 1 c | 18.995; 18.995; 7.835 90; 90; 120 | 2448.2 | Tukada, Hideyuki; Mochizuki, Katsura Long-Range Magnetic Interactions intrans-1,4-Cyclohexylene- and 1,3-Adamantylene-bis(p-nitrenylbenzene) by π−σ−π Hyperconjugation Organic Letters, 2001, 3, 3305 |
| 1507530 | CIF | C30 H34 N2 O5 | P 1 21/n 1 | 12.5856; 9.9628; 20.218 90; 92.877; 90 | 2531.9 | Comins, Daniel L.; Williams, Alfred L. Model Studies toward the Total Synthesis of theLycopodiumAlkaloid Spirolucidine Organic Letters, 2001, 3, 3217 |
| 1507531 | CIF | C30 H34 N2 O5 | P -1 | 8.6581; 9.705; 16.1393 100.945; 94.908; 97.909 | 1310.08 | Comins, Daniel L.; Williams, Alfred L. Model Studies toward the Total Synthesis of theLycopodiumAlkaloid Spirolucidine Organic Letters, 2001, 3, 3217 |
| 1507532 | CIF | C18 H18 N2 O2 | P -1 | 7.7074; 9.146; 11.804 87.94; 86.55; 71.33 | 786.7 | Papaefstathiou, Giannis S.; MacGillivray, Leonard R. Discrete versus Infinite Molecular Self-Assembly: Control in Crystalline Hydrogen-Bonded Assemblies Based on Resorcinol Organic Letters, 2001, 3, 3835 |
| 1507533 | CIF | C18 H17 Cl N2 O2 | P 1 21/n 1 | 9.512; 10.731; 16.012 90; 99.919; 90 | 1610 | Papaefstathiou, Giannis S.; MacGillivray, Leonard R. Discrete versus Infinite Molecular Self-Assembly: Control in Crystalline Hydrogen-Bonded Assemblies Based on Resorcinol Organic Letters, 2001, 3, 3835 |
| 1507534 | CIF | C36 H32 Cl4 N4 O4 | P 1 21/n 1 | 9.254; 11.684; 15.949 90; 97.13; 90 | 1711.1 | Papaefstathiou, Giannis S.; MacGillivray, Leonard R. Discrete versus Infinite Molecular Self-Assembly: Control in Crystalline Hydrogen-Bonded Assemblies Based on Resorcinol Organic Letters, 2001, 3, 3835 |
| 1507535 | CIF | C26 H28 Cr O5 Si | P 1 21/n 1 | 6.5976; 28.7405; 13.254 90; 99.7669; 90 | 2476.78 | Moser, William H.; Sun, Liangdong; Huffman, John C. Synthesis and Reactivity of Silyl Vinylketenes: A Formal Interrupted Dötz Benzannulation with Unexpected Silyl Migration Organic Letters, 2001, 3, 3389 |
| 1507536 | CIF | C17 H21 N O4 S | P b c a | 43.138; 9.07; 8.544 90; 90; 90 | 3342.9 | Bommezijn, Sacha; Martin, Concepcion Gonzalez; Kennedy, Alan R.; Lizos, Dimitrios; Murphy, John A. 1,4-Pentadienyl-3-sulfonamides: Frameworks for “Disfavored” Radical Cascade Cyclizations Organic Letters, 2001, 3, 3405 |
| 1507537 | CIF | C10 H6 O S3 | P 21 21 21 | 4.752; 13.15; 15.353 90; 90; 90 | 959.39 | Grainger, Richard S.; Procopio, Alberto; Steed, Jonathan W. A Novel Recyclable Sulfur Monoxide Transfer Reagent Organic Letters, 2001, 3, 3565 |
| 1507538 | CIF | C62 H72 O Se | P -1 | 15.356; 18.983; 19.335 87.445; 78.993; 66.908 | 5086.4 | Goto, Kei; Nagahama, Michiko; Mizushima, Tadashi; Shimada, Keiichi; Kawashima, Takayuki; Okazaki, Renji The First Direct Oxidative Conversion of a Selenol to a Stable Selenenic Acid: Experimental Demonstration of Three Processes Included in the Catalytic Cycle of Glutathione Peroxidase Organic Letters, 2001, 3, 3569 |
| 1507539 | CIF | C11 H10 O4 | P 1 21/n 1 | 7.0591; 7.3739; 18.791 90; 97.983; 90 | 968.7 | Parker, Kathlyn A.; Mindt, Thomas L. Electrocyclic Ring Closure of the Enols of Vinyl Quinones. A2H-Chromene Synthesis Organic Letters, 2001, 3, 3875 |
| 1507540 | CIF | C26 H36 N2 O2 | P 1 21/n 1 | 13.5; 14.009; 25.886 90; 94.64; 90 | 4879.56 | Clayden, Jonathan; Lund, Andrew; Youssef, Latifa H. Conformational Preference and Remote (1,10) Stereocontrol in Biphenyl-2,2‘-dicarboxamides Organic Letters, 2001, 3, 4133 |
| 1507541 | CIF | C18 H24 N2 O5 | P 1 21/n 1 | 11.758; 12.186; 13.172 90; 91.495; 90 | 1886.7 | Grossman, Robert B.; Rasne, Ravindra M. Short Total Syntheses of Both the Putative and Actual Structures of the Clerodane Diterpenoid (±)-Sacacarin by Double Annulation Organic Letters, 2001, 3, 4027 |
| 1507542 | CIF | C11 H13 N5 O | P -1 | 7.636; 11.124; 14.903 71.179; 79.323; 78.471 | 1164 | Söntjens, Serge H. M; Meijer, Joris T.; Kooijman, Huub; Spek, Anthony L.; van Genderen, Marcel H. P.; Sijbesma, Rint P.; Meijer, E. W. A Multiple Hydrogen-Bond Scaffold Based on Dipyrimidin-2-ylamine Organic Letters, 2001, 3, 3887 |
| 1507543 | CIF | C12 H14 N2 O6 S | C 1 2/c 1 | 14.8775; 8.8583; 11.1192 90; 111.004; 90 | 1368.02 | Hof, Fraser; Iovine, Peter M.; Johnson, Darren W.; Rebek, Julius Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides Organic Letters, 2001, 3, 4247 |
| 1507544 | CIF | C25 H45 N3 O4 S | P 1 21 1 | 8.3003; 13.8825; 11.6167 90; 97.16; 90 | 1328.14 | Hof, Fraser; Iovine, Peter M.; Johnson, Darren W.; Rebek, Julius Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides Organic Letters, 2001, 3, 4247 |
| 1507545 | CIF | C16 H22 N2 O6 S | P 1 21/a 1 | 14.1; 11.223; 11.773 90; 93.343; 90 | 1859.8 | Hof, Fraser; Iovine, Peter M.; Johnson, Darren W.; Rebek, Julius Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides Organic Letters, 2001, 3, 4247 |
| 1507928 | CIF | C44 H35 Cl Fe Ir N O4 P2 | P n a 21 | 17.8247; 11.4245; 35.8766 90; 90; 90 | 7305.8 | Moran, Joseph; Preetz, Angelika; Mesch, Ryan A.; Krische, Michael J. Iridium-catalysed direct C-C coupling of methanol and allenes. Nature chemistry, 2011, 3, 287-290 |
| 1507929 | CIF | C33 H26 Cl2 O6 S2 | C 1 c 1 | 14.755; 14.831; 7.1877 90; 95.469; 90 | 1565.7 | Seyedsayamdost, Mohammad R.; Case, Rebecca J.; Kolter, Roberto; Clardy, Jon The Jekyll-and-Hyde chemistry of Phaeobacter gallaeciensis. Nature chemistry, 2011, 3, 331-335 |
| 1507930 | CIF | C60 H68 Cu6 O52 | P -3 m 1 | 18.65; 18.65; 6.8329 90; 90; 120 | 2058.2 | Mohideen, M Infas H; Xiao, Bo; Wheatley, Paul S.; McKinlay, Alistair C.; Li, Yang; Slawin, Alexandra M. Z.; Aldous, David W.; Cessford, Naomi F.; Düren, Tina; Zhao, Xuebo; Gill, Rachel; Thomas, K. Mark; Griffin, John M.; Ashbrook, Sharon E.; Morris, Russell E. Protecting group and switchable pore-discriminating adsorption properties of a hydrophilic-hydrophobic metal-organic framework. Nature chemistry, 2011, 3, 304-310 |
| 1507931 | CIF | C69 H86 Cl6 N4 P4 Si4 U2 | P -1 | 12.3462; 13.0526; 13.5703 106.254; 101.926; 105.292 | 1930 | Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. A delocalized arene-bridged diuranium single-molecule magnet. Nature chemistry, 2011, 3, 454-460 |
| 1507932 | CIF | C77 H100 Cl4 N4 O2 P4 Si4 U2 | P -1 | 10.8234; 11.895; 16.7711 91.171; 94.744; 101.546 | 2106.7 | Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. A delocalized arene-bridged diuranium single-molecule magnet. Nature chemistry, 2011, 3, 454-460 |
| 1507933 | CIF | C83 H100 I4 N4 P4 Si4 U2 | C 1 2/c 1 | 35.693; 12.776; 21.448 90; 121.351; 90 | 8353 | Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. A delocalized arene-bridged diuranium single-molecule magnet. Nature chemistry, 2011, 3, 454-460 |
| 1507934 | CIF | C87.63 H110 Cl1.2 I0.8 N4 P4 Si4 U2 | F d d 2 | 17.3132; 27.8758; 36.903 90; 90; 90 | 17810 | Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. A delocalized arene-bridged diuranium single-molecule magnet. Nature chemistry, 2011, 3, 454-460 |
| 1507935 | CIF | C56 H71 I2 N2 O P2 Si2 U | P -1 | 9.836; 12.37; 22.185 74.697; 78.713; 81.039 | 2537.7 | Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. A delocalized arene-bridged diuranium single-molecule magnet. Nature chemistry, 2011, 3, 454-460 |
| 1507936 | CIF | C39 H55 Cl3 N2 O2 P2 Si2 U | P -1 | 10.399; 12.5771; 17.9435 85.865; 84.843; 66.167 | 2136.4 | Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. A delocalized arene-bridged diuranium single-molecule magnet. Nature chemistry, 2011, 3, 454-460 |
| 1507937 | CIF | C16 H36 Au Cl4 N | P 1 21/n 1 | 14.7634; 8.8165; 18.114 90; 107.073; 90 | 2253.84 | Serpell, Christopher J.; Cookson, James; Ozkaya, Dogan; Beer, Paul D. Core@shell bimetallic nanoparticle synthesis via anion coordination. Nature chemistry, 2011, 3, 478-483 |
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