Crystallography Open Database
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Searching year of publication is 2005
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1100974 | CIF | C8 H12 Cl4 N4 Zn | C 1 2/c 1 | 15.816; 8.9899; 11.474 90; 117.899; 90 | 1441.8 | Ruili Sang; Li Xu A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties Inorganic Chemistry, 2005, 44, 3731-3737 |
| 1100975 | CIF | C16 H20 Cl4 N8 Zn2 | P b c n | 11.747; 13.566; 14.367 90; 90; 90 | 2289.5 | Ruili Sang; Li Xu A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties Inorganic Chemistry, 2005, 44, 3731-3737 |
| 1100976 | CIF | C8 H10 Cd Cl2 N4 | P 1 n 1 | 8.5217; 5.1528; 13.719 90; 97.24; 90 | 597.61 | Ruili Sang; Li Xu A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties Inorganic Chemistry, 2005, 44, 3731-3737 |
| 1100977 | CIF | C8 H10 Br2 Cd N4 O0 | F d d 2 | 30.503; 4.8598; 16.322 90; 90; 90 | 2419.5 | Ruili Sang; Li Xu A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties Inorganic Chemistry, 2005, 44, 3731-3737 |
| 1100978 | CIF | C8 H10 Cd I2 N4 | C 1 c 1 | 5.3546; 15.7642; 15.773 90; 96.989; 90 | 1321.5 | Ruili Sang; Li Xu A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties Inorganic Chemistry, 2005, 44, 3731-3737 |
| 1100979 | CIF | C24 H36 N16 O15 Zn2 | P -1 | 9.857; 12.1339; 16.911 82.535; 86.419; 68.443 | 1864.96 | Ruili Sang; Li Xu A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties Inorganic Chemistry, 2005, 44, 3731-3737 |
| 1100980 | CIF | C64 H86 Cd3 Cl6 N32 O27 | P -1 | 13.681; 15.381; 21.74 77.647; 79.185; 86.666 | 4388.6 | Ruili Sang; Li Xu A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties Inorganic Chemistry, 2005, 44, 3731-3737 |
| 1100981 | CIF | C42 H48 B F10 N2 O2 Pd | C 1 2/c 1 | 21.5769; 13.2251; 30.9126 90; 95.586; 90 | 8779.2 | Swarnalatha Kokatam; Thomas Weyhermüller; Eberhard Bothe; Phalguni Chaudhuri; Karl Wieghardt Structural Characterization of Four Members of the Electron-Transfer Series [PdII(L)2)2]n (L = o-Iminophenolate Derivative; n= 2-, 1-, 0, 1+, 2+). Ligand Mixed Valency in the Monocation and Monoanion with S=1/2 Ground States Inorganic Chemistry, 2005, 44, 3709-3717 |
| 1100982 | CIF | C52 H58 Co F6 N2 O2 Pd | P 1 | 10.1173; 10.4874; 12.6206 67.012; 73.738; 88.769 | 1177.57 | Swarnalatha Kokatam; Thomas Weyhermüller; Eberhard Bothe; Phalguni Chaudhuri; Karl Wieghardt Structural Characterization of Four Members of the Electron-Transfer Series [PdII(L)2)2]n (L = o-Iminophenolate Derivative; n= 2-, 1-, 0, 1+, 2+). Ligand Mixed Valency in the Monocation and Monoanion with S=1/2 Ground States Inorganic Chemistry, 2005, 44, 3709-3717 |
| 1100983 | CIF | C43.33 H51.33 B2.67 Cl2.67 F16.67 N2 O2 Pd | P -1 | 13.5833; 16.8101; 18.3743 78.548; 72.946; 78.209 | 3883.1 | Swarnalatha Kokatam; Thomas Weyhermüller; Eberhard Bothe; Phalguni Chaudhuri; Karl Wieghardt Structural Characterization of Four Members of the Electron-Transfer Series [PdII(L)2)2]n (L = o-Iminophenolate Derivative; n= 2-, 1-, 0, 1+, 2+). Ligand Mixed Valency in the Monocation and Monoanion with S=1/2 Ground States Inorganic Chemistry, 2005, 44, 3709-3717 |
| 1100984 | CIF | C44 H52 Cl6 F6 N2 Ni O10 | P 1 21/n 1 | 12.8217; 15.1119; 13.2926 90; 98.21; 90 | 2549.18 | Swarnalatha Kokatam; Thomas Weyhermüller; Eberhard Bothe; Phalguni Chaudhuri; Karl Wieghardt Structural Characterization of Four Members of the Electron-Transfer Series [PdII(L)2)2]n (L = o-Iminophenolate Derivative; n= 2-, 1-, 0, 1+, 2+). Ligand Mixed Valency in the Monocation and Monoanion with S=1/2 Ground States Inorganic Chemistry, 2005, 44, 3709-3717 |
| 1100985 | CIF | C20 H12.4 O2 | P n m a | 13.984; 12.722; 8.024 90; 90; 90 | 1427.5 | Yamamura, Kimiaki; Kawashima Taiga; Eda, Kazuo; Tajima, Fukue; Hashimoto, Masao Solid solution of triptycenequinone and triptycenehydroquinone as a non-stoichiometric quinhydrone. Bathochromic changes in color caused by local intermolecular interaction between p-benzoquinone and hydroquinone moieties Journal of Molecular Structure, 2005, 737, 1-6 |
| 1100989 | CIF | C3 H8 N2 O | P 1 21/c 1 | 8.315; 7.046; 9.099 90; 107.483; 90 | 508.4 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1100991 | CIF | C6 H14 N4 O2 | C 1 2/c 1 | 13.092; 7.247; 9.288 90; 103.348; 90 | 857.4 | Eda, Kazuo; Okazaki, Tadashi; Yamamura, Kimiaki; Hashimoto, Masao Three-dimensional supramolecular assembly having infinite two-dimensional interlocking networks built up only from simple and non-rigid organic molecules via hydrogen bonds. Crystal structures of α,ω-diureidoalkanes H~2~N(CO)NH‒(CH~2~)n‒NH(CO)NH~2~ with n=4 and 5 Journal of Molecular Structure, 2005, 752, 93-97 |
| 1100992 | CIF | C5 H12 N2 O | P 1 21/c 1 | 4.6629; 5.7364; 25.863 90; 94.627; 90 | 689.5 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1100994 | CIF | C7 H16 N4 O2 | P c c n | 8.2002; 13.084; 9.2354 90; 90; 90 | 990.8 | Eda, Kazuo; Okazaki, Tadashi; Yamamura, Kimiaki; Hashimoto, Masao Three-dimensional supramolecular assembly having infinite two-dimensional interlocking networks built up only from simple and non-rigid organic molecules via hydrogen bonds. Crystal structures of α,ω-diureidoalkanes H~2~N(CO)NH–(CH~2~)n–NH(CO)NH~2~ with n=4 and 5 Journal of Molecular Structure, 2005, 752, 93-97 |
| 1100995 | CIF | C6 H14 N2 O | P 1 21/c 1 | 13.026; 7.2083; 9.277 90; 110.861; 90 | 813.9 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1100996 | CIF | C7 H16 N2 O | P 1 21/c 1 | 12.976; 7.4298; 9.287 90; 92.73; 90 | 894.4 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1100998 | CIF | C8 H18 N2 O | P 1 21/c 1 | 14.407; 7.529; 9.318 90; 102.426; 90 | 987.1 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101000 | CIF | C9 H20 N2 O | P 1 21/c 1 | 16.407; 7.558; 9.321 90; 93.17; 90 | 1154 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101001 | CIF | C9 H20 N2 O | C 1 2/c 1 | 32.02; 7.4123; 9.3147 90; 97.939; 90 | 2189.6 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101002 | CIF | C10 H22 N2 O | P 1 21/c 1 | 17.774; 7.4623; 9.264 90; 103.726; 90 | 1193.7 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101004 | CIF | C11 H24 N2 O | P 1 21/c 1 | 18.336; 7.5383; 9.2943 90; 94.584; 90 | 1280.5 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101005 | CIF | C11 H24 N2 O | P 1 21/c 1 | 18.007; 7.5233; 9.2731 90; 96.371; 90 | 1248.5 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101007 | CIF | C12 H26 N2 O | P 1 21/c 1 | 19.617; 7.5941; 9.3394 90; 97.54; 90 | 1379.3 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101008 | CIF | C13 H28 N2 O | C 1 2/c 1 | 42.43; 7.5982; 9.295 90; 95.624; 90 | 2982.3 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101009 | CIF | C13 H28 N2 O | P 1 21/c 1 | 21.1; 7.364; 9.2 90; 95.085; 90 | 1423.8 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101010 | CIF | C14 H30 N2 O | P 1 21/c 1 | 23.124; 7.542; 9.299 90; 99.751; 90 | 1598.3 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101011 | CIF | C14 H30 N2 O | P 1 21/c 1 | 22.936; 7.4127; 9.314 90; 99.29; 90 | 1562.8 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101012 | CIF | C14 H30 N2 O | P 1 21/c 1 | 21.986; 7.405; 9.313 90; 93.909; 90 | 1512.7 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101013 | CIF | C15 H32 N2 O | P 1 21/c 1 | 23.601; 7.639; 9.326 90; 94.882; 90 | 1675.4 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101014 | CIF | C15 H32 N2 O | P 1 21/c 1 | 23.257; 7.4723; 9.269 90; 90.332; 90 | 1610.8 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101015 | CIF | Co4 H6 Mo4 O19 | P -1 | 6.844; 6.933; 9.339 76.617; 84.188; 74.51 | 415.1 | Eda, Kazuo; Uno, Yuichi; Nagai, Noriko; Sotani, Noriyuki; Whittingham, M. Stanley Crystal structure of cobalt molybdate hydrate CoMoO~4~·nH2O Journal of Solid State Chemistry, 2005, 178, 2791-2797 |
| 1101017 | CIF | C8 H32 Cl2 Co2 N8 O6 S4 | P -1 | 6.3067; 7.782; 12.7658 100.043; 91.562; 107.339 | 586.8 | Raj Pal Sharma; Rajni Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas Journal of Coordination Chemistry, 2005, 58, 1099-1104 |
| 1101052 | CIF | C40 H72 N40 Ni9 O42 | P -1 | 11.0481; 18.27; 21.386 65.966; 83.287; 86.043 | 3914.4 | Sawsan Salameh; Mohammad Abul-Haj; Miguel Quirós; Juan M. Salas European Journal of Inorganic Chemistry, 2005, 2779-2782 |
| 1101055 | CIF | C20 H14 O2 | P 63 | 27.864; 27.864; 12.983 90; 90; 120 | 8729.7 | Yamamura, Kimiaki; Kawashima Taiga; Eda, Kazuo; Tajima, Fukue; Hashimoto, Masao Solid solution of triptycenequinone and triptycenehydroquinone as a non-stoichiometric quinhydrone. Bathochromic changes in color caused by local intermolecular interaction between p-benzoquinone and hydroquinone moieties Journal of Molecular Structure, 2005, 737, 1-6 |
| 1101062 | CIF Paper | Ca2 Fe2 O5 | Imma(00\g)s00 | 5.4931; 15.038; 5.6511 90; 90; 90 | 466.81 | Krüger, Hannes; Kahlenberg, Volker Incommensurately modulated ordering of tetrahedral chains in Ca~2~Fe~2~O~5~ at elevated temperatures Acta Crystallographica Section B, 2005, 61, 656-662 |
| 1101077 | CIF Paper | Li O4 V2 | F d -3 m :2 | 8.2437; 8.2437; 8.2437 90; 90; 90 | 560.23 | Matsushita, Yoshitaka; Yamaura, Jun-Ichi; Ueda, Yutaka Lithium divanadate spinel, LiV~2~O~4~ Acta Crystallographica, Section E, 2005, 61, i137-i139 |
| 1101079 | CIF | Na6 O19 Si8 | P 1 21/c 1 | 4.9038; 23.481; 15.392 90; 90.14; 90 | 1772.3 | Kruger, Hannes; Kahlenberg, Volker; Kaindl, R. Structural studies on Na6Si8O19 - a monophyllosilicate with a new type of layered silicate anion Solid State Sciences, 2005, 7, 1390-1396 |
| 1101094 | CIF | B Cl2 Co F4 H18 N6 | P 1 21/c 1 | 13.4973; 7.4289; 12.1669 90; 109.511; 90 | 1149.92 | Raj Pal Sharma; Ritu Bala; Rajni Sharma; Paloth Venugopalan; Juan M. Salas; Miguel Quirós Second sphere coordination in anion binding: Synthesis, spectroscopic characterization and single crystal X-ray structure determination of hexaamminecobalt(III) dichloride tetrafluoroborate Journal of Fluorine Chemistry, 2005, 126, 1543-1548 |
| 1101098 | CIF | C65 H85 N15 O35 | C 1 2 1 | 39.54; 8.72; 22.89 90; 95.26; 90 | 7859 | Jarmula, Adam; Rypniewski, Wojciech R.; Felczak, Krzysztof; Rode, Wojciech Struct. Chem., 2005, 541-549 |
| 1101099 | CIF | C13 H16 F N3 O7 | C 1 2 1 | 21.72; 8.72; 8.61 90; 90.42; 90 | 1631 | Jarmula, Adam; Rypniewski, Wojciech R.; Felczak, Krzysztof; Rode, Wojciech Struct. Chem., 2005, 541-549 |
| 1101116 | CIF | Al Ca F5 | P 1 21/c 1 | 5.3361; 9.8298; 7.3271 90; 109.911; 90 | 361.4 | Body, M.; Silly, G.; Legein, C.; Buzaré, J.-Y.; Calvayrac, F.; Blaha, P. Structural investigations of β-CaAlF5 by coupling powder XRD, NMR, EPR and spectroscopic parameter calculations Journal of Solid State Chemistry, 2005, 178, 3655-3643 |
| 1101118 | CIF | C42 H55 Cd Cl2 N18 O18.5 | P 1 21/n 1 | 14.4479; 22.195; 17.12 90; 97.126; 90 | 5447.5 | Nuria A. Illán-Cabeza; Rosario A. Vilaplana; Ysmael Álvarez; Khalid Akdi; Sanae Kamah; Francisco Hueso-Ureña; Miguel Quirós; Francisco González-Vílchez; Miguel N. Moreno-Carretero Synthesis, structure and biological activity of a new and efficient Cd(II)-uracil derivative complex system for cleavage of DNA JBIC Journal of Biological Inorganic Chemistry, 2005, 10, 924-934 |
| 1101145 | CIF | C36 H74 Ga N27 O40 | P 1 21/c 1 | 12.8081; 22.7793; 21.5383 90; 93.278; 90 | 6273.7 | Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.; Sokolov, Maxim N.; Fedin, Vladimir P. Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged Polynuclear Gallium(III) Aqua Complexes Inorganic Chemistry, 2005, 44, 4133-4135 |
| 1101146 | CIF | Ga13 H96 N15 O105 | R -3 :H | 19.9915; 19.9915; 18.5028 90; 90; 120 | 6404.1 | Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.; Sokolov, Maxim N.; Fedin, Vladimir P. Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged Polynuclear Gallium(III) Aqua Complexes Inorganic Chemistry, 2005, 44, 4133-4135 |
| 1101147 | CIF | C123 H311 Ga32 N81 O193 | P -1 | 18.3313; 21.136; 23.2894 109.424; 101.987; 109.635 | 7478.8 | Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.; Sokolov, Maxim N.; Fedin, Vladimir P. Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged Polynuclear Gallium(III) Aqua Complexes Inorganic Chemistry, 2005, 44, 4133-4135 |
| 1101226 | CIF | C48 H33 N12 O1.5 Zn | F d d 2 | 61.594; 15.968; 16.59 90; 90; 90 | 16317 | Qiong Ye; Yong-Hua Li; Yu-Mei Song; Xue-Feng Huang; Ren-Gen Xiong; Ziling Xue A Second-Order Nonlinear Optical Material Prepared through In Situ Hydrothermal Ligand Synthesis Inorganic Chemistry, 2005, 44, 3618-3625 |
| 1500012 | CIF | C8 H32 Co2 Cr2 N12 O15 | F d d 2 | 24.778; 30.457; 6.5364 90; 90; 90 | 4932.8 | Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós Synthesis, spectroscopic characterisation and X-ray structure of [trans-Co(en)~2~(NO~2~)~2~]~2~(Cr~2~O~7~) Journal of Chemical Crystallography, 2005, 35, 769-775 |
| 1501596 | CIF | C24 H30 N3 O10 P | P -3 | 17.1474; 17.1474; 5.3885 90; 90; 120 | 1372.13 | Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets Angew. Chem. Int. Ed., 2005, 44, 4021-4025 |
| 1501597 | CIF | C21 H24 N3 O10 P | P -3 | 16.9535; 16.9535; 5.2396 90; 90; 120 | 1304.21 | Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets Angew. Chem. Int. Ed., 2005, 44, 4021-4025 |
| 1501598 | CIF | C24 H24 N3 O10 P | P -3 | 17.4823; 17.4823; 5.0683 90; 90; 120 | 1341.5 | Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets Angew. Chem. Int. Ed., 2005, 44, 4021-4025 |
| 1501607 | CIF | C14 H16 Cl N5 | P 1 21/n 1 | 9.627; 4.9751; 35.2533 90; 95.79; 90 | 1679.9 | Olivier LeBel; Thierry Maris; Hugues Duval; James D. Wuest A practical guide to arylbiguanides — Synthesis and structural characterization Can. J. Chem., 2005, 83, 615-625 |
| 1501608 | CIF | C14 H15 N5 | P 1 c 1 | 9.0317; 6.3945; 22.5874 90; 99.588; 90 | 1286.27 | Olivier LeBel; Thierry Maris; Hugues Duval; James D. Wuest A practical guide to arylbiguanides — Synthesis and structural characterization Can. J. Chem., 2005, 83, 615-625 |
| 1506325 | CIF | C9 H17 Cl N2 | P 1 21/n 1 | 8.4032; 11.7073; 10.7526 90; 90.529; 90 | 1057.78 | Andre, M.; Loidl, J.; Laus, G.; Schottenberger, H.; Bentivoglio, G.; Wurst, K.; Ongania, K.-H. Ionic liquids as advantageous solvents for headspace gas chromatography of compounds with low vapor pressure. Analytical chemistry, 2005, 77, 702-705 |
| 1506326 | CIF | C9 H17 Cl N2 | R -3 :H | 28.3013; 28.3013; 7.1646 90; 90; 120 | 4969.8 | Andre, M.; Loidl, J.; Laus, G.; Schottenberger, H.; Bentivoglio, G.; Wurst, K.; Ongania, K.-H. Ionic liquids as advantageous solvents for headspace gas chromatography of compounds with low vapor pressure. Analytical chemistry, 2005, 77, 702-705 |
| 1506327 | CIF | C22 H27 N2 O11 Re | P 21 21 21 | 7.2693; 9.9472; 34.2689 90; 90; 90 | 2477.96 | Dumas, Cécile; Petrig, Jeannine; Frei, Luzia; Spingler, Bernhard; Schibli, Roger Functionalization of Glucose at Position C-3 for Transition Metal Coordination: Organo-Rhenium Complexes with Carbohydrate Skeletons Bioconjugate Chemistry, 2005, 16, 421 |
| 1506328 | CIF | C15 H20 N7 Re S2 | P 1 21/c 1 | 8.0008; 20.5058; 11.6366 90; 90.958; 90 | 1908.87 | Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides Bioconjugate Chemistry, 2005, 16, 885 |
| 1506329 | CIF | C18.5 H15.5 Cl2 N7 O Re S2 | P 1 c 1 | 8.1375; 15.0204; 19.429 90; 95.29; 90 | 2364.66 | Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides Bioconjugate Chemistry, 2005, 16, 885 |
| 1506330 | CIF | C14 H18 Cl N6 Re S3 | P -1 | 8.1062; 14.6072; 17.0107 82.086; 82.556; 83.238 | 1967.96 | Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides Bioconjugate Chemistry, 2005, 16, 885 |
| 1506331 | CIF | C16 H15 Cl N7 Re S | P 1 21/c 1 | 14.7905; 14.7131; 8.4637 90; 91.068; 90 | 1841.5 | Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides Bioconjugate Chemistry, 2005, 16, 885 |
| 1506332 | CIF | C28 H26 Cl N16 O Re2 S2 | P 1 21/c 1 | 10.7229; 15.3323; 20.6857 90; 91.622; 90 | 3399.5 | Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides Bioconjugate Chemistry, 2005, 16, 885 |
| 1506333 | CIF | C12.5 H14 Cl4 N6 O5 Re | P 1 21/c 1 | 14.024; 13.1938; 13.2801 90; 112.906; 90 | 2263.5 | Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides Bioconjugate Chemistry, 2005, 16, 885 |
| 1506334 | CIF | C24 H21 N8 O4 Re S2 | P -1 | 9.3544; 9.7712; 15.1811 104.631; 100.939; 99.008 | 1287.3 | Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides Bioconjugate Chemistry, 2005, 16, 885 |
| 1506335 | CIF | C7 H15 Cu N O6 | P c a 21 | 19.837; 7.084; 14.896 90; 90; 90 | 2093.3 | Skorik, Yury A.; Gomes, Carlos A. R.; Podberezskaya, Nina V.; Romanenko, Galina V.; Pinto, Luiz F.; Yatluk, Yury G. Complexation Models ofN-(2-Carboxyethyl)chitosans with Copper(II) Ions Biomacromolecules, 2005, 6, 189 |
| 1506336 | CIF | C25 H26 N2 O | P -1 | 9.9752; 10.434; 11.2679 90.172; 109.741; 109.322 | 1032.9 | Li, Weiwei; Lam, Yulin A Facile Solid-Phase Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using Sodium Benzenesulfinate as a Traceless Linker Journal of Combinatorial Chemistry, 2005, 7, 644 |
| 1506337 | CIF | C16 H15 N3 O | P -1 | 8.7569; 12.5075; 12.7422 74.569; 86.623; 81.9 | 1331.55 | Li, Weiwei; Lam, Yulin A Facile Solid-Phase Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using Sodium Benzenesulfinate as a Traceless Linker Journal of Combinatorial Chemistry, 2005, 7, 644 |
| 1506338 | CIF | C20 H20 N2 O | P -1 | 8.8589; 9.5619; 11.5289 111.301; 90.111; 115.935 | 803.03 | Li, Weiwei; Lam, Yulin A Facile Solid-Phase Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using Sodium Benzenesulfinate as a Traceless Linker Journal of Combinatorial Chemistry, 2005, 7, 644 |
| 1506339 | CIF | C19 H16 N2 O2 S | P -1 | 7.706; 10.338; 12.191 109.742; 95.779; 111.614 | 821.2 | Le Bas, Marie-Delphine H.; McKinley, Neola F.; Hogan, Anne-Marie L.; O'Shea, Donal F. Imidazo[5,1-b]thiazol-3-ones/thiazin-4-ones: Synthesis and Reactivity Investigation for Library Generation Journal of Combinatorial Chemistry, 2005, 7, 503 |
| 1506340 | CIF | C19 H26 N4 O2 | P 1 21/c 1 | 17.164; 8.4372; 13.333 90; 99.752; 90 | 1902.9 | Fu, Han; Lam, Yulin Traceless Solid-Phase Synthesis of N1,N7-Disubstituted Purines Journal of Combinatorial Chemistry, 2005, 7, 734 |
| 1506341 | CIF | C17 H27 Br N4 O3 | P -1 | 11.841; 13.069; 13.905 74.71; 78.79; 86.66 | 2036 | Fu, Han; Lam, Yulin Traceless Solid-Phase Synthesis of N1,N7-Disubstituted Purines Journal of Combinatorial Chemistry, 2005, 7, 734 |
| 1506342 | CIF | C22 H17 F6 N3 O3 P Re | P 1 21/n 1 | 8.9203; 12.925; 21.104 90; 90.521; 90 | 2433.1 | Stoyanov, Stanislav R.; Villegas, John M.; Cruz, Arvin J.; Lockyear, Loranelle L.; Reibenspies, Joseph H.; Rillema, D. Paul Computational and Spectroscopic Studies of Re(I) Bipyridyl Complexes Containing 2,6-Dimethylphenylisocyanide (CNx) Ligand Journal of Chemical Theory and Computation, 2005, 1, 95 |
| 1506343 | CIF | C3 H1.5 Cl1.5 O1.5 | P 1 21/m 1 | 7.88; 6.795; 8.835 90; 115.02; 90 | 428.67 | Gong, Huijuan; You, Zhen; Xian, Qiming; Shen, Xing; Zou, Huixian; Huan, Fei; Xu, X. Study on the Structure and Mutagenicity of a New Disinfection Byproduct in Chlorinated Drinking Water Environmental Science & Technology, 2005, 39, 7499 |
| 1506344 | CIF | C19 H29 N O5 | P 1 21 1 | 6.866; 19.559; 7.04 90; 97.132; 90 | 938.1 | Simoni, Daniele; Rossi, Marcello; Bertolasi, Valerio; Roberti, Marinella; Pizzirani, Daniela; Rondanin, Riccardo; Baruchello, Riccardo; Invidiata, Francesco Paolo; Tolomeo, Manlio; Grimaudo, Stefania; Merighi, Stefania; Varani, Katia; Gessi, Stefania; Borea, Pier Andrea; Marino, Silvia; Cavallini, Sabrina; Bianchi, Clementina; Siniscalchi, Anna Synthesis and pharmacology of 6-substituted benztropines: discovery of novel dopamine uptake inhibitors possessing low binding affinity to the dopamine transporter. Journal of medicinal chemistry, 2005, 48, 3337-3343 |
| 1506345 | CIF | C30 H32 Cl3 N8 O2 Ru | C 1 c 1 | 17.681; 11.082; 16.738 90; 102.46; 90 | 3202.4 | Jakupec, Michael A.; Reisner, Erwin; Eichinger, Anna; Pongratz, Martina; Arion, Vladimir B.; Galanski, Markus; Hartinger, Christian G.; Keppler, Bernhard K. Redox-active antineoplastic ruthenium complexes with indazole: correlation of in vitro potency and reduction potential. Journal of medicinal chemistry, 2005, 48, 2831-2837 |
| 1506346 | CIF | C34 H36 Cl2 N8 O2 Ru | P -1 | 10.891; 13.279; 14.399 65.66; 69.04; 68.36 | 1710.8 | Jakupec, Michael A.; Reisner, Erwin; Eichinger, Anna; Pongratz, Martina; Arion, Vladimir B.; Galanski, Markus; Hartinger, Christian G.; Keppler, Bernhard K. Redox-active antineoplastic ruthenium complexes with indazole: correlation of in vitro potency and reduction potential. Journal of medicinal chemistry, 2005, 48, 2831-2837 |
| 1506347 | CIF | C21 H28 O3 | P 21 21 21 | 10.405; 16.508; 20.85 90; 90; 90 | 3581.3 | Veleiro, Adriana S.; Pecci, Adali; Monteserín, María C; Baggio, Ricardo; Garland, María T; Lantos, Carlos P.; Burton, Gerardo 6,19-Sulfur-bridged progesterone analogues with antiimmunosuppressive activity. Journal of medicinal chemistry, 2005, 48, 5675-5683 |
| 1506348 | CIF | C21 H28 O2 S | P 21 21 21 | 11.153; 12.65; 12.94 90; 90; 90 | 1825.6 | Veleiro, Adriana S.; Pecci, Adali; Monteserín, María C; Baggio, Ricardo; Garland, María T; Lantos, Carlos P.; Burton, Gerardo 6,19-Sulfur-bridged progesterone analogues with antiimmunosuppressive activity. Journal of medicinal chemistry, 2005, 48, 5675-5683 |
| 1506349 | CIF | C14 H16 Cu Fe N10 O5 S | P 1 21/n 1 | 13.157; 13.641; 14.205 90; 115.98; 90 | 2291.8 | Belicchi-Ferrari, Marisa; Bisceglie, Franco; Casoli, Claudio; Durot, Stéphanie; Morgenstern-Badarau, Irène; Pelosi, Giorgio; Pilotti, Elisabetta; Pinelli, Silvana; Tarasconi, Pieralberto Copper(II) and cobalt(III) pyridoxal thiosemicarbazone complexes with nitroprusside as counterion: syntheses, electronic properties, and antileukemic activity. Journal of medicinal chemistry, 2005, 48, 1671-1675 |
| 1506350 | CIF | C23 H34 Cu2 Fe N14 O11 S2 | P 1 21/n 1 | 13.946; 7.163; 18.389 90; 93.37; 90 | 1833.8 | Belicchi-Ferrari, Marisa; Bisceglie, Franco; Casoli, Claudio; Durot, Stéphanie; Morgenstern-Badarau, Irène; Pelosi, Giorgio; Pilotti, Elisabetta; Pinelli, Silvana; Tarasconi, Pieralberto Copper(II) and cobalt(III) pyridoxal thiosemicarbazone complexes with nitroprusside as counterion: syntheses, electronic properties, and antileukemic activity. Journal of medicinal chemistry, 2005, 48, 1671-1675 |
| 1506351 | CIF | C41 H60 Co2 Fe N22 O17 S4 | P -1 | 15.278; 13.533; 7.977 84.4; 76.78; 77.22 | 1563.9 | Belicchi-Ferrari, Marisa; Bisceglie, Franco; Casoli, Claudio; Durot, Stéphanie; Morgenstern-Badarau, Irène; Pelosi, Giorgio; Pilotti, Elisabetta; Pinelli, Silvana; Tarasconi, Pieralberto Copper(II) and cobalt(III) pyridoxal thiosemicarbazone complexes with nitroprusside as counterion: syntheses, electronic properties, and antileukemic activity. Journal of medicinal chemistry, 2005, 48, 1671-1675 |
| 1506352 | CIF | C28 H38 N O6 P | P 1 | 6.413; 13.141; 17.092 82.02; 86.3; 76.29 | 1385.1 | Albert, Rainer; Hinterding, Klaus; Brinkmann, Volker; Guerini, Danilo; Müller-Hartwieg, Constanze; Knecht, Helmut; Simeon, Corinne; Streiff, Markus; Wagner, Trixie; Welzenbach, Karl; Zécri, Frédéric; Zollinger, Markus; Cooke, Nigel; Francotte, Eric Novel immunomodulator FTY720 is phosphorylated in rats and humans to form a single stereoisomer. Identification, chemical proof, and biological characterization of the biologically active species and its enantiomer. Journal of medicinal chemistry, 2005, 48, 5373-5377 |
| 1506353 | CIF | C23 H21 F4 N O4 | P -1 | 8.8822; 9.7444; 12.9675 76.306; 72.48; 89.873 | 1036.98 | Deng, Bo-Liang; Hartman, Tracy L.; Buckheit, Jr, Robert W; Pannecouque, Christophe; De Clercq, Erik; Fanwick, Phillip E.; Cushman, Mark Synthesis, anti-HIV activity, and metabolic stability of new alkenyldiarylmethane HIV-1 non-nucleoside reverse transcriptase inhibitors. Journal of medicinal chemistry, 2005, 48, 6140-6155 |
| 1506354 | CIF | C9 H8 I N O2 | P 1 21/c 1 | 4.1515; 16.0162; 14.1406 90; 97.411; 90 | 932.37 | Deng, Bo-Liang; Hartman, Tracy L.; Buckheit, Jr, Robert W; Pannecouque, Christophe; De Clercq, Erik; Fanwick, Phillip E.; Cushman, Mark Synthesis, anti-HIV activity, and metabolic stability of new alkenyldiarylmethane HIV-1 non-nucleoside reverse transcriptase inhibitors. Journal of medicinal chemistry, 2005, 48, 6140-6155 |
| 1506355 | CIF | C22 H32 Cl2 N2 O6 Pt | P 1 21/c 1 | 7.7485; 18.294; 18.356 90; 92.129; 90 | 2600.2 | Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J. Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake. Journal of medicinal chemistry, 2005, 48, 8060-8069 |
| 1506356 | CIF | C26 H36 Cl2 N2 O6 Pt | I 1 2/a 1 | 23.951; 7.8455; 32.732 90; 110.353; 90 | 5766.6 | Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J. Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake. Journal of medicinal chemistry, 2005, 48, 8060-8069 |
| 1506357 | CIF | C24 H30 Cl2 N4 O6 Pt | P -1 | 7.8196; 12.2969; 16.4366 81.492; 77.063; 88.498 | 1523.4 | Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J. Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake. Journal of medicinal chemistry, 2005, 48, 8060-8069 |
| 1506358 | CIF | C20 H24 Cl2 N2 O9 Pt | P -1 | 8.9038; 12.4327; 12.8543 62.59; 82.906; 72.039 | 1201.4 | Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J. Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake. Journal of medicinal chemistry, 2005, 48, 8060-8069 |
| 1506359 | CIF | C57 H58 N2 O22 | P 31 | 15.6681; 15.6681; 17.4559 90; 90; 120 | 3711.12 | Post, Glen C.; Barthel, Benjamin L.; Burkhart, David J.; Hagadorn, John R.; Koch, Tad H. Doxazolidine, a proposed active metabolite of doxorubicin that cross-links DNA. Journal of medicinal chemistry, 2005, 48, 7648-7657 |
| 1506360 | CIF | C24 H19 N | P -1 | 9.204; 9.325; 11.096 72.871; 80.424; 71.413 | 859.86 | Ho, Tong-Ing; Elangovan, Arumugasamy; Hsu, Hsien-Yi; Yang, Shu-Wen Highly fluorescent N,N-dimethylaminophenylethynylarenes: synthesis, photophysical properties, and electrochemiluminescence. The journal of physical chemistry. B, 2005, 109, 8626-8633 |
| 1506361 | CIF | C28 H28 N2 O2 | P 1 21/n 1 | 7.4962; 14.7065; 19.2131 90; 93.091; 90 | 2115.03 | Ye, Kaiqi; Wang, Jia; Sun, Hui; Liu, Yu; Mu, Zhongcheng; Li, Fei; Jiang, Shimei; Zhang, Jingying; Zhang, Hongxing; Wang, Yue; Che, Chi-Ming Supramolecular structures and assembly and luminescent properties of quinacridone derivatives. The journal of physical chemistry. B, 2005, 109, 8008-8016 |
| 1506362 | CIF | C32 H36 N2 O2 | P 1 21/c 1 | 5.0894; 16.0916; 15.8959 90; 98.732; 90 | 1286.73 | Ye, Kaiqi; Wang, Jia; Sun, Hui; Liu, Yu; Mu, Zhongcheng; Li, Fei; Jiang, Shimei; Zhang, Jingying; Zhang, Hongxing; Wang, Yue; Che, Chi-Ming Supramolecular structures and assembly and luminescent properties of quinacridone derivatives. The journal of physical chemistry. B, 2005, 109, 8008-8016 |
| 1506363 | CIF | C58 H44 N2 Nd O6.5 | P -1 | 12.5701; 13.0988; 16.2767 93.17; 96.448; 109.387 | 2499.8 | Sun, Li-Ning; Zhang, Hong-Jie; Meng, Qing-Guo; Liu, Feng-Yi; Fu, Lian-She; Peng, Chun-Yun; Yu, Jiang-Bo; Zheng, Guo-Li; Wang, Shu-Bin Near-infrared luminescent hybrid materials doped with lanthanide (Ln) complexes (Ln = Nd, Yb) and their possible laser application. The journal of physical chemistry. B, 2005, 109, 6174-6182 |
| 1506364 | CIF | C57 H41 N2 O6 Yb | P 1 21/n 1 | 15.5804; 17.0282; 17.6621 90; 91.779; 90 | 4683.6 | Sun, Li-Ning; Zhang, Hong-Jie; Meng, Qing-Guo; Liu, Feng-Yi; Fu, Lian-She; Peng, Chun-Yun; Yu, Jiang-Bo; Zheng, Guo-Li; Wang, Shu-Bin Near-infrared luminescent hybrid materials doped with lanthanide (Ln) complexes (Ln = Nd, Yb) and their possible laser application. The journal of physical chemistry. B, 2005, 109, 6174-6182 |
| 1506365 | CIF | C8 H8 N3 O6 | P -1 | 6.7331; 7.8045; 10.4466 94.764; 108.278; 97.433 | 512.4 | Jones, H. P.; Davey, R. J.; Cox, B. G. Crystallization of a salt of a weak organic acid and base: solubility relations, supersaturation control and polymorphic behavior. The journal of physical chemistry. B, 2005, 109, 5273-5278 |
| 1506366 | CIF | C19 H21 F6 N2 P | P 21 21 21 | 10.2149; 12.5025; 15.0057 90; 90; 90 | 1916.4 | Consorti, Crestina S.; Suarez, Paulo A. Z.; de Souza, Roberto F.; Burrow, Robert A.; Farrar, David H.; Lough, Alan J.; Loh, Watson; da Silva, Luis H. M.; Dupont, Jairton Identification of 1,3-dialkylimidazolium salt supramolecular aggregates in solution. The journal of physical chemistry. B, 2005, 109, 4341-4349 |
| 1506367 | CIF | C43 H41 B N2 | P 1 21 1 | 8.484; 19.347; 19.586 90; 90.506; 90 | 3215 | Consorti, Crestina S.; Suarez, Paulo A. Z.; de Souza, Roberto F.; Burrow, Robert A.; Farrar, David H.; Lough, Alan J.; Loh, Watson; da Silva, Luis H. M.; Dupont, Jairton Identification of 1,3-dialkylimidazolium salt supramolecular aggregates in solution. The journal of physical chemistry. B, 2005, 109, 4341-4349 |
| 1506368 | CIF | C19 H21 B F4 N2 | P 21 21 21 | 10.7207; 10.8545; 15.4841 90; 90; 90 | 1801.85 | Consorti, Crestina S.; Suarez, Paulo A. Z.; de Souza, Roberto F.; Burrow, Robert A.; Farrar, David H.; Lough, Alan J.; Loh, Watson; da Silva, Luis H. M.; Dupont, Jairton Identification of 1,3-dialkylimidazolium salt supramolecular aggregates in solution. The journal of physical chemistry. B, 2005, 109, 4341-4349 |
| 1506369 | CIF | C64 H80 N8 Ni O8 | P -1 | 14.107; 14.121; 16.871 86.52; 72.52; 73.3 | 3069.2 | Gunaratne, Tissa C.; Gusev, Alexey V.; Peng, Xinzhan; Rosa, Angela; Ricciardi, Giampaolo; Baerends, Evert Jan; Rizzoli, Corrado; Kenney, Malcolm E.; Rodgers, Michael A. J. Photophysics of octabutoxy phthalocyaninato-Ni(II) in toluene: ultrafast experiments and DFT/TDDFT studies. The journal of physical chemistry. A, 2005, 109, 2078-2089 |
| 1506370 | CIF | C37 H49 N6 O9 | P c a 21 | 14.77; 20.689; 12.699 90; 90; 90 | 3881 | Maekawa, Kensuke; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji Exchange interaction in covalently bonded biradical-monoradical composite molecules. The journal of physical chemistry. B, 2005, 109, 3303-3309 |
| 1506371 | CIF | C44 H64 N4 O4 P2 Pt | P -1 | 10.9367; 11.2973; 11.4492 110.738; 109.796; 104.578 | 1128.32 | Cooper, Thomas M.; Hall, Benjamin C.; McLean, Daniel G.; Rogers, Joy E.; Burke, Aaron R.; Turnbull, Kenneth; Weisner, Andrew; Fratini, Albert; Liu, Yao; Schanze, Kirk S. Structure-optical property relationships in organometallic sydnones. The journal of physical chemistry. A, 2005, 109, 999-1007 |
| 1506372 | CIF | C7 H14 N4 O3 | P 1 21/n 1 | 6.744; 6.79; 19.472 90; 95.159; 90 | 888 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A, 2005, 109, 1911-1919 |
| 1506373 | CIF | C7 H14 N4 O3 | P 1 21/n 1 | 6.7679; 6.779; 19.487 90; 95.446; 90 | 890 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A, 2005, 109, 1911-1919 |
| 1506374 | CIF | C7 H14 N4 O3 | P 1 21/n 1 | 6.774; 6.803; 19.441 90; 95.329; 90 | 892 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A, 2005, 109, 1911-1919 |
| 1506375 | CIF | C7 H14 N4 O3 | P 1 21/n 1 | 6.787; 6.802; 19.532 90; 95.266; 90 | 897.9 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A, 2005, 109, 1911-1919 |
| 1506376 | CIF | C7 H14 N4 O3 | P 1 21/n 1 | 6.831; 6.838; 19.525 90; 95.482; 90 | 907.8 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A, 2005, 109, 1911-1919 |
| 1506377 | CIF | C7 H14 N4 O3 | P 1 21/n 1 | 6.7989; 6.8226; 19.4639 90; 95.102; 90 | 899.28 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A, 2005, 109, 1911-1919 |
| 1506378 | CIF | C7 H14 N4 O3 | P 1 21/n 1 | 6.8272; 6.8456; 19.484 90; 94.983; 90 | 907.2 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A, 2005, 109, 1911-1919 |
| 1506379 | CIF | C7 H14 N4 O3 | P 1 21/n 1 | 6.726; 6.732; 19.418 90; 95.391; 90 | 875.347 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A, 2005, 109, 1911-1919 |
| 1506380 | CIF | C7 H5 I O2 | P 1 21/n 1 | 4.0567; 5.9409; 30.223 90; 91.019; 90 | 728.3 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. On the solid state structure of 4-iodobenzoic acid. The journal of physical chemistry. A, 2005, 109, 2586-2593 |
| 1506381 | CIF | C7 H5 I O2 | P 1 21/n 1 | 4.0688; 5.9466; 30.253 90; 90.982; 90 | 731.9 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. On the solid state structure of 4-iodobenzoic acid. The journal of physical chemistry. A, 2005, 109, 2586-2593 |
| 1506382 | CIF | C7 H5 I O2 | P 1 21/n 1 | 4.0778; 5.9724; 30.243 90; 90.893; 90 | 736.5 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. On the solid state structure of 4-iodobenzoic acid. The journal of physical chemistry. A, 2005, 109, 2586-2593 |
| 1506383 | CIF | C7 H5 I O2 | P 1 21/n 1 | 4.096; 5.9745; 30.157 90; 90.852; 90 | 737.9 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. On the solid state structure of 4-iodobenzoic acid. The journal of physical chemistry. A, 2005, 109, 2586-2593 |
| 1506384 | CIF | C7 H5 I O2 | P 1 21/n 1 | 4.1049; 5.9933; 30.179 90; 90.878; 90 | 742.4 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. On the solid state structure of 4-iodobenzoic acid. The journal of physical chemistry. A, 2005, 109, 2586-2593 |
| 1506385 | CIF | C7 H5 I O2 | P 1 21/n 1 | 4.1049; 5.9933; 30.179 90; 90.878; 90 | 742.4 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. On the solid state structure of 4-iodobenzoic acid. The journal of physical chemistry. A, 2005, 109, 2586-2593 |
| 1506386 | CIF | C7 H5 I O2 | P 1 21/n 1 | 4.1049; 5.9933; 30.179 90; 90.878; 90 | 742.4 | Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. On the solid state structure of 4-iodobenzoic acid. The journal of physical chemistry. A, 2005, 109, 2586-2593 |
| 1506387 | CIF | C6 H6 Au3 N6 O3 Tb | P 63/m c m | 6.622; 6.622; 18.147 90; 90; 120 | 689.15 | Tanner, Peter A.; Zhou, Xianju; Wong, Wing-Tak; Kratzer, Cornelius; Yersin, Hartmut Structure and spectroscopy of Tb[Au(CN)2]3.3H2O. The journal of physical chemistry. B, 2005, 109, 13083-13090 |
| 1506388 | CIF | C24 H22 | P 21 21 21 | 36.813; 6.2947; 7.5555 90; 90; 90 | 1750.8 | Bhongale, Chetan Jagdish; Chang, Chih-Wei; Lee, Chi-Shen; Diau, Eric Wei-Guang; Hsu, Chain-Shu Relaxation dynamics and structural characterization of organic nanoparticles with enhanced emission. The journal of physical chemistry. B, 2005, 109, 13472-13482 |
| 1506389 | CIF | C3 H7 Al3 N O13 P3 | C 1 c 1 | 12.8203; 12.18269; 26.99238 90; 91.843; 90 | 4213.64 | Paillaud, Jean-Louis; Marichal, Claire; Roux, Mélanie; Baerlocher, Christian; Chézeau, Jean Michel Tripling of the unit cell volume of the non-centrosymmetric AlPO4-SOD after dehydration: a structural study of a reversible process. The journal of physical chemistry. B, 2005, 109, 11893-11899 |
| 1506390 | CIF | C2 H8 Al2 F N O8 P2 | P 1 21/c 1 | 9.4049; 12.7739; 8.5805 90; 112.796; 90 | 950.32 | Paillaud, Jean-Louis; Marichal, Claire; Roux, Mélanie; Baerlocher, Christian; Chézeau, Jean Michel Tripling of the unit cell volume of the non-centrosymmetric AlPO4-SOD after dehydration: a structural study of a reversible process. The journal of physical chemistry. B, 2005, 109, 11893-11899 |
| 1506391 | CIF | C33 H44 N7 O8 | P -1 | 11.839; 12.637; 12.977 96.936; 100.902; 114.716 | 1687.8 | Hayakawa, Kenichi; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji Magnetic phase transition in a heteromolecular hydrogen-bonded complex of nitronylnitroxide radicals. The journal of physical chemistry. B, 2005, 109, 9195-9197 |
| 1506392 | CIF | C36 H26 S2 Si | P 1 21 1 | 9.878; 9.84; 29.591 90; 90.29; 90 | 2876.2 | Chen, Junwu; Xu, Bin; Yang, Kaixia; Cao, Yong; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong Photoluminescence spectral reliance on aggregation order of 1,1-Bis(2'-thienyl)-2,3,4,5-tetraphenylsilole. The journal of physical chemistry. B, 2005, 109, 17086-17093 |
| 1506393 | CIF | C20 H11 I N5 Ni S4 | P 1 21/a 1 | 7.565; 26.64; 12 90; 102.64; 90 | 2360 | Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K. Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2]. The journal of physical chemistry. B, 2005, 109, 16610-16615 |
| 1506394 | CIF | C20 H11 I N5 Ni S4 | P -1 | 7.3869; 11.886; 26.181 88.57; 87.29; 77.27 | 2239.4 | Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K. Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2]. The journal of physical chemistry. B, 2005, 109, 16610-16615 |
| 1506395 | CIF | C20 H11 Cu I N5 S4 | P 1 21/c 1 | 11.984; 26.524; 7.6252 90; 102.61; 90 | 2365.3 | Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K. Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2]. The journal of physical chemistry. B, 2005, 109, 16610-16615 |
| 1506396 | CIF | C20 H11 Cu I N5 S4 | P 1 21/c 1 | 11.883; 26.373; 7.473 90; 102.34; 90 | 2287.9 | Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K. Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2]. The journal of physical chemistry. B, 2005, 109, 16610-16615 |
| 1506397 | CIF | C12 H10 Cl N3 O4 | P 1 21/c 1 | 9.9583; 5.7946; 23.2137 90; 101.697; 90 | 1311.71 | Naumov, Pance; Sakurai, Kenji; Ishikawa, Tadahiko; Takahashi, Junichi; Koshihara, Shin-ya; Ohashi, Yuji Intramolecular nitro-assisted proton transfer in photoirradiated 2-(2',4'-dinitrobenzyl)pyridine: polarized optical spectroscopic study and electronic structure calculations. The journal of physical chemistry. A, 2005, 109, 7264-7275 |
| 1506398 | CIF | C9 H13 Cl4 Nb O | P -1 | 7.0665; 7.1523; 13.3112 76.813; 86.607; 69.37 | 612.86 | Lo, Andy Y. H.; Bitterwolf, Thomas E.; Macdonald, Charles L. B.; Schurko, Robert W. Solid-state 93Nb and 13C NMR investigations of half-sandwich niobium(I) and niobium(V) cyclopentadienyl complexes. The journal of physical chemistry. A, 2005, 109, 7073-7087 |
| 1506399 | CIF | C7 H5 B F3 N | P n m a | 17.404; 8.678; 4.856 90; 90; 90 | 733.4 | Phillips, J. A.; Giesen, D. J.; Wells, N. P.; Halfen, J. A.; Knutson, C. C.; Wrass, J. P. Condensed-phase effects on the structural properties of C6H5CN-BF3 and (CH3)3CCN-BF3: IR spectra, crystallography, and computations. The journal of physical chemistry. A, 2005, 109, 8199-8208 |
| 1506400 | CIF | C15 H11 B F2 N2 | C 1 2/c 1 | 6.2841; 20.7345; 9.9453 90; 103.559; 90 | 1259.73 | Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey Structural control of the photodynamics of boron-dipyrrin complexes. The journal of physical chemistry. B, 2005, 109, 20433-20443 |
| 1506401 | CIF | C19 H19 B F2 N2 | P 21 21 21 | 9.123; 11.4591; 15.5695 90; 90; 90 | 1627.7 | Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey Structural control of the photodynamics of boron-dipyrrin complexes. The journal of physical chemistry. B, 2005, 109, 20433-20443 |
| 1506402 | CIF | C16 H13 B F2 N2 | P 1 21/c 1 | 7.4173; 16.0251; 11.7943 90; 102.881; 90 | 1366.63 | Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey Structural control of the photodynamics of boron-dipyrrin complexes. The journal of physical chemistry. B, 2005, 109, 20433-20443 |
| 1506403 | CIF | C18 H17 B F2 N2 | P b c a | 16.7533; 10.6616; 17.2351 90; 90; 90 | 3078.48 | Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey Structural control of the photodynamics of boron-dipyrrin complexes. The journal of physical chemistry. B, 2005, 109, 20433-20443 |
| 1506404 | CIF | C20 H23 B N2 | P n a 21 | 16.8983; 13.5687; 7.4844 90; 90; 90 | 1716.08 | Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey Structural control of the photodynamics of boron-dipyrrin complexes. The journal of physical chemistry. B, 2005, 109, 20433-20443 |
| 1506405 | CIF | C49 H39 B Cu F4 N3 P2 | P -1 | 10.764; 12.387; 16.56 87.73; 76.22; 80.64 | 2115.9 | Waterland, Mark R.; Howell, Sarah L.; Gordon, Keith C.; Burrell, Anthony K. Structural changes upon photoexcitation into the metal-to-ligand charge-transfer state of [Cu(pqx)(PPh3)2]+ probed by resonance Raman spectroscopy and density functional theory. The journal of physical chemistry. A, 2005, 109, 8826-8833 |
| 1506406 | CIF | C7 H15 F3 Li N O3 S | P 1 21/c 1 | 5.1842; 15.379; 15.8877 90; 98.11; 90 | 1254.02 | Rocher, Nathalie M.; Frech, Roger; Khan, Masood Hydrogen bonding and the inductive effect in crystalline and solution phases of hexylamine:LiCF3SO3 and Dipropylamine:LiCF3SO3: application to branched poly(ethylenimine). The journal of physical chemistry. B, 2005, 109, 20697-20706 |
| 1506407 | CIF | C14 H30 F6 Li2 N2 O6 S2 | P b c a | 8.6035; 10.008; 28.521 90; 90; 90 | 2455.8 | Rocher, Nathalie M.; Frech, Roger; Khan, Masood Hydrogen bonding and the inductive effect in crystalline and solution phases of hexylamine:LiCF3SO3 and Dipropylamine:LiCF3SO3: application to branched poly(ethylenimine). The journal of physical chemistry. B, 2005, 109, 20697-20706 |
| 1506408 | CIF | C10 H14 N2 O2 S | F d d 2 | 24.37; 31.908; 5.941 90; 90; 90 | 4620 | Zhang, Wei; Cozzolino, Anthony F.; Mahmoudkhani, Amir H.; Tulumello, Mark; Mansour, Sarah; Vargas-Baca, Ignacio Influence of pi-stacking on the resonant enhancement of the second-order nonlinear optical response of dipolar chromophores. The journal of physical chemistry. B, 2005, 109, 18378-18384 |
| 1506409 | CIF | C10 H10 N4 | P 1 21/c 1 | 6.67; 11.506; 12.975 90; 114.56; 90 | 905.7 | Otsuki, Joe; Suwa, Kazuya; Narutaki, Koichi; Sinha, Chittaranjan; Yoshikawa, Isao; Araki, Koji Photochromism of 2-(phenylazo)imidazoles. The journal of physical chemistry. A, 2005, 109, 8064-8069 |
| 1506410 | CIF | Al2 D3.26 Na2 O12 Si3 | F d d 2 | 18.2933; 18.6282; 6.5839 90; 90; 90 | 2243.6 | Colligan, Marek; Lee, Yongjae; Vogt, Thomas; Celestian, Aaron J.; Parise, John B.; Marshall, William G.; Hriljac, Joseph A. High-pressure neutron diffraction study of superhydrated natrolite. The journal of physical chemistry. B, 2005, 109, 18223-18225 |
| 1506411 | CIF | V | I m -3 m | 3.0273; 3.0273; 3.0273 90; 90; 90 | 27.744 | Colligan, Marek; Lee, Yongjae; Vogt, Thomas; Celestian, Aaron J.; Parise, John B.; Marshall, William G.; Hriljac, Joseph A. High-pressure neutron diffraction study of superhydrated natrolite. The journal of physical chemistry. B, 2005, 109, 18223-18225 |
| 1506412 | CIF | C37 H32 | P -1 | 11.272; 14.504; 17.102 84.537; 86.253; 81.33 | 2747.8 | Barr, James W.; Bell, Thomas W.; Catalano, Vincent J.; Cline, Joseph I.; Phillips, Daniel J.; Procupez, Rolando Syntheses, structures, and photoisomerization of (E)- and (Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene. The journal of physical chemistry. A, 2005, 109, 11650-11654 |
| 1506413 | CIF | C37 H32 | P 1 21 1 | 12.221; 17.921; 13.524 90; 107.82; 90 | 2819.8 | Barr, James W.; Bell, Thomas W.; Catalano, Vincent J.; Cline, Joseph I.; Phillips, Daniel J.; Procupez, Rolando Syntheses, structures, and photoisomerization of (E)- and (Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene. The journal of physical chemistry. A, 2005, 109, 11650-11654 |
| 1506414 | CIF | C12 H7 Br N2 O2 | P 21 21 21 | 7.483; 7.636; 18.212 90; 90; 90 | 1040.6 | Kaletas, Basak Kükrer; Joshi, Hem C.; van der Zwan, Gert; Fanti, Marianna; Zerbetto, Francesco; Goubitz, Kees; De Cola, Luisa; König, Burkhard; Williams, René M Asymmetric indolylmaleimide derivatives and their complexation with zinc(II)-cyclen. The journal of physical chemistry. A, 2005, 109, 9443-9455 |
| 1506415 | CIF | C36 H51 N7 | P 1 21/a 1 | 9.2709; 32.431; 11.698 90; 110.714; 90 | 3289.8 | Moore, Evan G.; Bernhardt, Paul V.; Fürstenberg, Alexandre; Riley, Mark J.; Vauthey, Eric Intra- vs intermolecular photoinduced electron transfer reactions of a macrocyclic donor-acceptor dyad. The journal of physical chemistry. A, 2005, 109, 11715-11723 |
| 1506416 | CIF | C30 H34 Cl2 Co P2 | P 1 21/n 1 | 11.082; 16.191; 17.047 90; 99.607; 90 | 3015.8 | Ricci, Giovanni; Forni, Alessandra; Boglia, Aldo; Motta, Tiziano; Zannoni, Giulio; Canetti, Maurizio; Bertini, Fabio Synthesis and X-ray Structure of CoCl2(PiPrPh2)2. A New Highly Active and Stereospecific Catalyst for 1,2 Polymerization of Conjugated Dienes When Used in Association with MAO Macromolecules, 2005, 38, 1064 |
| 1506417 | CIF | C20 H16 Fe | P 1 21/c 1 | 8.968; 5.734; 28.003 90; 91.61; 90 | 1439.4 | Heo, Richard W.; Park, Joon-Seo; Lee, T. Randall Synthesis and Ring-Opening Metathesis Polymerization of Aryl-Substituted 1,1‘-(1,3-Butadienylene)ferrocenes Macromolecules, 2005, 38, 2564 |
| 1506418 | CIF | C23 H22 Fe | P 1 21/c 1 | 14.1201; 15.719; 8.0672 90; 105.144; 90 | 1728.36 | Heo, Richard W.; Park, Joon-Seo; Lee, T. Randall Synthesis and Ring-Opening Metathesis Polymerization of Aryl-Substituted 1,1‘-(1,3-Butadienylene)ferrocenes Macromolecules, 2005, 38, 2564 |
| 1506419 | CIF | C18 H10 N2 S | P 1 21/n 1 | 9.5; 8.508; 17.267 90; 99.991; 90 | 1374.5 | Yasuda, Takuma; Imase, Tatsuya; Nakamura, Yoshiyuki; Yamamoto, Takakazu New Alternative Donor−Acceptor Arranged Poly(Aryleneethynylene)s and Their Related Compounds Composed of Five-Membered Electron-Accepting 1,3,4-Thiadiazole, 1,2,4-Triazole, or 3,4-Dinitrothiophene Units: Synthesis, Packing Structure, and Optical Properties Macromolecules, 2005, 38, 4687 |
| 1506420 | CIF | C20 H10 N2 O4 S | P 1 21/n 1 | 10.337; 13.479; 12.811 90; 105.307; 90 | 1721.7 | Yasuda, Takuma; Imase, Tatsuya; Nakamura, Yoshiyuki; Yamamoto, Takakazu New Alternative Donor−Acceptor Arranged Poly(Aryleneethynylene)s and Their Related Compounds Composed of Five-Membered Electron-Accepting 1,3,4-Thiadiazole, 1,2,4-Triazole, or 3,4-Dinitrothiophene Units: Synthesis, Packing Structure, and Optical Properties Macromolecules, 2005, 38, 4687 |
| 1506421 | CIF | C34 H38 Cl2 Zr | C 1 2/c 1 | 18.901; 6.512; 23.87 90; 94.54; 90 | 2928.8 | Losio, Simona; Zecchi, Gaetano; Bertini, Fabio; Sacchi, Maria Carmela; Bertolasi, Valerio; Polo, Eleonora Unbridged Zirconium and Titanium Metallocenes with Seven- or Eight-Saturated Fused-Ring Ligands: a Route for the Synthesis of Stereoblock Polypropene Macromolecules, 2005, 38, 7231 |
| 1506422 | CIF | C42 H69 Li O5 | P 1 21 1 | 10.2275; 18.585; 11.7291 90; 106.401; 90 | 2138.7 | Hsueh, Mao-Lin; Huang, Bor-Hunn; Wu, Jincai; Lin, Chu-Chieh Synthesis, Characterization, and Catalytic Studies of Lithium Complexes: Efficient Initiators for Ring-Opening Polymerization ofl-Lactide Macromolecules, 2005, 38, 9482 |
| 1506423 | CIF | C37 H44 Li O3 | P 1 21/n 1 | 13.1173; 17.4528; 15.436 90; 92.546; 90 | 3530.3 | Hsueh, Mao-Lin; Huang, Bor-Hunn; Wu, Jincai; Lin, Chu-Chieh Synthesis, Characterization, and Catalytic Studies of Lithium Complexes: Efficient Initiators for Ring-Opening Polymerization ofl-Lactide Macromolecules, 2005, 38, 9482 |
| 1506424 | CIF | C45 H69 Li O5 | P 21 21 21 | 11.9852; 18.9242; 19.5947 90; 90; 90 | 4444.3 | Hsueh, Mao-Lin; Huang, Bor-Hunn; Wu, Jincai; Lin, Chu-Chieh Synthesis, Characterization, and Catalytic Studies of Lithium Complexes: Efficient Initiators for Ring-Opening Polymerization ofl-Lactide Macromolecules, 2005, 38, 9482 |
| 1506425 | CIF | C24 H26 Cl6 N2 O4 Sn | P 21 21 21 | 12.901; 13.359; 16.323 90; 90; 90 | 2813 | Darensbourg, Donald. J.; Ganguly, Poulomi; Billodeaux, Damon Ring-Opening Polymerization of Trimethylene Carbonate Using Aluminum(III) and Tin(IV) Salen Chloride Catalysts Macromolecules, 2005, 38, 5406 |
| 1506426 | CIF | C28 H26 Cl6 N2 O3.79 Sn | P 1 21/n 1 | 13.713; 14.784; 15.649 90; 107.852; 90 | 3019.8 | Darensbourg, Donald. J.; Ganguly, Poulomi; Billodeaux, Damon Ring-Opening Polymerization of Trimethylene Carbonate Using Aluminum(III) and Tin(IV) Salen Chloride Catalysts Macromolecules, 2005, 38, 5406 |
| 1506427 | CIF | C24 H23 Cl N2 O2 Sn | P 1 21/c 1 | 14.276; 13.93; 10.985 90; 94.388; 90 | 2178.1 | Darensbourg, Donald. J.; Ganguly, Poulomi; Billodeaux, Damon Ring-Opening Polymerization of Trimethylene Carbonate Using Aluminum(III) and Tin(IV) Salen Chloride Catalysts Macromolecules, 2005, 38, 5406 |
| 1506428 | CIF | C66 H70 N4 O8 Zn3 | P -1 | 11.2879; 11.5445; 25.113 89.141; 84.148; 76.224 | 3161.7 | Chen, Hsuan-Ying; Huang, Bor-Hunn; Lin, Chu-Chieh A Highly Efficient Initiator for the Ring-Opening Polymerization of Lactides and ε-Caprolactone: A Kinetic Study Macromolecules, 2005, 38, 5400 |
| 1506429 | CIF | C39 H66 N6 Si2 Zr2 | P -1 | 8.9759; 15.427; 17.37 67.867; 77.698; 85.178 | 2176.8 | Li, Hongbo; Stern, Charlotte L.; Marks, Tobin J. Significant Proximity and Cocatalyst Effects in Binuclear Catalysis for Olefin Polymerization Macromolecules, 2005, 38, 9015 |
| 1506430 | CIF | C32 H35 Cl2 N Si Zr | P -1 | 8.5953; 12.7328; 13.3145 71.863; 76.856; 87.035 | 1348.2 | Li, Hongbo; Stern, Charlotte L.; Marks, Tobin J. Significant Proximity and Cocatalyst Effects in Binuclear Catalysis for Olefin Polymerization Macromolecules, 2005, 38, 9015 |
| 1506431 | CIF | C27 H31 N O Zr | P 1 21/c 1 | 16.3387; 7.565; 36.764 90; 94.242; 90 | 4531.7 | Mariott, Wesley R.; Chen, Eugene Y.-X. Mechanism and Scope of Stereospecific, Coordinative-Anionic Polymerization of Acrylamides by Chiral Zirconocenium Ester and Amide Enolates Macromolecules, 2005, 38, 6822 |
| 1506432 | CIF | C41 H24 Cl2 F6 O4 | C 1 2/n 1 | 28.15; 7.284; 18.04 90; 113.028; 90 | 3404 | Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B. Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization Macromolecules, 2005, 38, 10413 |
| 1506433 | CIF | C45 H32 O6 S | P 1 21/n 1 | 11.403; 18.815; 17.273 90; 106.63; 90 | 3550.9 | Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B. Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization Macromolecules, 2005, 38, 10413 |
| 1506434 | CIF | C39 H22 O6 | P -1 | 10.567; 15.223; 20.307 99.62; 103.81; 107.69 | 2919 | Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B. Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization Macromolecules, 2005, 38, 10413 |
| 1506435 | CIF | C37 H25 Cl3 O8 S3 | P -1 | 11.205; 12.963; 13.453 106.622; 95.431; 99.434 | 1826 | Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B. Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization Macromolecules, 2005, 38, 10413 |
| 1506436 | CIF | C39 H30 O8 S3 | P 1 21/c 1 | 11.092; 23.35; 13.887 90; 107.061; 90 | 3438 | Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B. Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization Macromolecules, 2005, 38, 10413 |
| 1506437 | CIF | C39 H24 Cl6 O8 S2 | P 1 21/n 1 | 15; 11.01; 24.89 90; 106.735; 90 | 3936 | Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B. Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization Macromolecules, 2005, 38, 10413 |
| 1506438 | CIF | C41 H46 Br2 O3 | P -1 | 8.3399; 10.5004; 20.9724 86.567; 83.373; 74.01 | 1752.99 | Tseng, Ya-Hsien; Shih, Ping-I; Chien, Chen-Han; Dixit, Ajay Kumar; Shu, Ching-Fong; Liu, Yi-Hung; Lee, Gene-Hsiang Stable Organic Blue-Light-Emitting Devices Prepared from Poly[spiro(fluorene-9,9‘-xanthene)] Macromolecules, 2005, 38, 10055 |
| 1506439 | CIF | C20 H30 O6 | P 21 21 21 | 9.5032; 11.2533; 19.2625 90; 90; 90 | 2059.98 | Triana, Jorge; López, Mariana; Pérez, Francisco J; González-Platas, Javier; Quintana, José; Estévez, Francisco; León, Francisco; Bermejo, Jaime Sesquiterpenoids from Pulicaria canariensis and their cytotoxic activities. Journal of natural products, 2005, 68, 523-531 |
| 1506440 | CIF | C19 H28 O6 | P 21 21 21 | 9.039; 14.621; 14.866 90; 90; 90 | 1964.7 | Triana, Jorge; López, Mariana; Pérez, Francisco J; González-Platas, Javier; Quintana, José; Estévez, Francisco; León, Francisco; Bermejo, Jaime Sesquiterpenoids from Pulicaria canariensis and their cytotoxic activities. Journal of natural products, 2005, 68, 523-531 |
| 1506441 | CIF | C19 H28 O7 | P 21 21 21 | 9.698; 13.617; 14.946 90; 90; 90 | 1973.7 | Triana, Jorge; López, Mariana; Pérez, Francisco J; González-Platas, Javier; Quintana, José; Estévez, Francisco; León, Francisco; Bermejo, Jaime Sesquiterpenoids from Pulicaria canariensis and their cytotoxic activities. Journal of natural products, 2005, 68, 523-531 |
| 1506442 | CIF | C15 H24 O2 | P 21 21 21 | 5.441; 14.886; 17.243 90; 90; 90 | 1396.6 | Triana, Jorge; López, Mariana; Pérez, Francisco J; González-Platas, Javier; Quintana, José; Estévez, Francisco; León, Francisco; Bermejo, Jaime Sesquiterpenoids from Pulicaria canariensis and their cytotoxic activities. Journal of natural products, 2005, 68, 523-531 |
| 1506443 | CIF | C16 H16 O7 | P 1 21/n 1 | 16.525; 7.74; 12.559 90; 110.18; 90 | 1507.7 | Angawi, Rihab F.; Swenson, Dale C.; Gloer, James B.; Wicklow, Donald T. Malettinins B-D: new polyketide metabolites from an unidentified fungal colonist of Hypoxylon Stromata (NRRL 29110). Journal of natural products, 2005, 68, 212-216 |
| 1506444 | CIF | C28 H49 N O4 | P 21 21 21 | 11.213; 14.543; 16.498 90; 90; 90 | 2690.3 | Jiang, Yan; Li, Huijun; Li, Ping; Cai, Zhaohui; Ye, Wencai Steroidal alkaloids from the bulbs of Fritillaria puqiensis. Journal of natural products, 2005, 68, 264-267 |
| 1506445 | CIF | C24 H40 Br4 O2 | P 1 21/c 1 | 10.5953; 11.4554; 11.5796 90; 108.903; 90 | 1329.66 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506446 | CIF | C24 H36 O2 | P 1 21/c 1 | 40.0257; 7.4849; 15.0438 90; 100.68; 90 | 4428.88 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506447 | CIF | C24 H36 O2 | P n a 21 | 15.0286; 7.485; 39.3182 90; 90; 90 | 4422.87 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506448 | CIF | C16 H20 S6 | P 1 21/n 1 | 9.0844; 11.8406; 9.8502 90; 113.063; 90 | 974.85 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506449 | CIF | C16 H20 S6 | P -1 | 9.4288; 10.8171; 11.4266 107.53; 113.144; 98.332 | 974.7 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506450 | CIF | C5 H6 S3 | P n m a | 10.2496; 6.7971; 10.6545 90; 90; 90 | 742.27 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506451 | CIF | C7 H11 Cl2 I S3 | P n m a | 17.2213; 7.005; 11.4894 90; 90; 90 | 1386.03 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506452 | CIF | C6 H9 I S3 | P -1 | 6.5122; 7.7517; 11.2286 74.596; 83.282; 74.962 | 527.05 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506453 | CIF | C6 H9 I3 S3 | P 1 21/n 1 | 9.6693; 14.1562; 10.6917 90; 104.057; 90 | 1419.66 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506454 | CIF | C16 H19 F6 N2 P Ru | P 21 21 21 | 9.2385; 12.0517; 16.415 90; 90; 90 | 1827.64 | Sortais, Jean-Baptiste; Ritleng, Vincent; Voelklin, Adeline; Holuigue, Alexandre; Smail, Hakima; Barloy, Laurent; Sirlin, Claude; Verzijl, Gerard K. M.; Boogers, Jeroen A. F.; de Vries, André H M; de Vries, Johannes G.; Pfeffer, Michel Cycloruthenated primary and secondary amines as efficient catalyst precursors for asymmetric transfer hydrogenation. Organic letters, 2005, 7, 1247-1250 |
| 1506455 | CIF | C20 H22 O6 | I 4 | 19.327; 19.327; 9.814 90; 90; 90 | 3666 | Saouf, Abderrahmane; Guerra, Francisco M.; Rubal, Juan J.; Moreno-Dorado, F Javier; Akssira, Mohamed; Mellouki, Fouad; López, Matías; Pujadas, Antonio J.; Jorge, Zacarías D; Massanet, Guillermo M. Transtaganolides A-D: novel metabolites from Thapsia transtagana. Organic letters, 2005, 7, 881-884 |
| 1506456 | CIF | C20 H22 O6 | P 21 21 21 | 10.052; 10.322; 17.378 90; 90; 90 | 1803.1 | Saouf, Abderrahmane; Guerra, Francisco M.; Rubal, Juan J.; Moreno-Dorado, F Javier; Akssira, Mohamed; Mellouki, Fouad; López, Matías; Pujadas, Antonio J.; Jorge, Zacarías D; Massanet, Guillermo M. Transtaganolides A-D: novel metabolites from Thapsia transtagana. Organic letters, 2005, 7, 881-884 |
| 1506457 | CIF | C32 H38 N2 O8 | P -1 | 10.373; 10.925; 14.066 83.18; 70.88; 78.91 | 1475.3 | Frontera, Antonio; Orell, Maria; Garau, Carolina; Quiñonero, David; Molins, Elies; Mata, Ignasi; Morey, Jeroni Preparation, solid-state characterization, and computational study of a crown ether attached to a squaramide. Organic letters, 2005, 7, 1437-1440 |
| 1506458 | CIF | C52 H80 O12 | P 1 21 1 | 7.574; 27.38; 15.555 90; 104.028; 90 | 3130 | Ghosh, Sanjib; Choudhury, Angshuman Roy; Guru Row, Tayur N.; Maitra, Uday Selective and unusual fluoride ion complexation by a steroidal receptor using OH...F- and CH...F- interactions: a new motif for anion coordination? Organic letters, 2005, 7, 1441-1444 |
| 1506459 | CIF | C52 H80 O12 | P 1 21 1 | 11.529; 16.683; 12.782 90; 98.895; 90 | 2429 | Ghosh, Sanjib; Choudhury, Angshuman Roy; Guru Row, Tayur N.; Maitra, Uday Selective and unusual fluoride ion complexation by a steroidal receptor using OH...F- and CH...F- interactions: a new motif for anion coordination? Organic letters, 2005, 7, 1441-1444 |
| 1506460 | CIF | C17 H22 N2 O6 | P -1 | 9.0221; 12.5961; 16.13 83.714; 79.252; 84.161 | 1783.9 | Otte, Ryan D.; Sakata, Tomoyo; Guzei, Ilia A.; Lee, Daesung Reactivity of Mitsunobu reagent toward carbonyl compounds. Organic letters, 2005, 7, 495-498 |
| 1506461 | CIF | C18 H28 N2 O6 | P 21 21 21 | 11.35; 11.4769; 14.7702 90; 90; 90 | 1924 | Otte, Ryan D.; Sakata, Tomoyo; Guzei, Ilia A.; Lee, Daesung Reactivity of Mitsunobu reagent toward carbonyl compounds. Organic letters, 2005, 7, 495-498 |
| 1506462 | CIF | C40 H20 F24 | P -1 | 8.1348; 13.1474; 20.118 101.643; 99.396; 98.559 | 2042 | Liu, Jin; Wendt, Natalie L.; Boarman, Kelly J. Trifluoromethyl groups in crystal design of 1,4-diphenyl-1,3-butadienes for topochemical [2 + 2] photodimerization. Organic letters, 2005, 7, 1007-1010 |
| 1506463 | CIF | C20 H10 F12 | P 1 21/c 1 | 4.8166; 11.259; 16.773 90; 94.405; 90 | 906.9 | Liu, Jin; Wendt, Natalie L.; Boarman, Kelly J. Trifluoromethyl groups in crystal design of 1,4-diphenyl-1,3-butadienes for topochemical [2 + 2] photodimerization. Organic letters, 2005, 7, 1007-1010 |
| 1506464 | CIF | C36 H20 F16 | P -1 | 7.9641; 11.8791; 16.6095 92.391; 99.039; 94.984 | 1543.5 | Liu, Jin; Wendt, Natalie L.; Boarman, Kelly J. Trifluoromethyl groups in crystal design of 1,4-diphenyl-1,3-butadienes for topochemical [2 + 2] photodimerization. Organic letters, 2005, 7, 1007-1010 |
| 1506465 | CIF | C18 H10 F8 | P -1 | 4.7834; 7.7026; 11.29 104.706; 97.67; 104.072 | 381.74 | Liu, Jin; Wendt, Natalie L.; Boarman, Kelly J. Trifluoromethyl groups in crystal design of 1,4-diphenyl-1,3-butadienes for topochemical [2 + 2] photodimerization. Organic letters, 2005, 7, 1007-1010 |
| 1506466 | CIF | C19 H17 N O4 S | P 21 21 21 | 6.4992; 14.9706; 34.8326 90; 90; 90 | 3389.1 | Pemberton, Nils; Emtenäs, Hans; Boström, Dan; Domaille, Peter J.; Greenberg, William A.; Levin, Michael D.; Zhu, Zuolin; Almqvist, Fredrik Cycloaddition of delta2-thiazolines and acyl ketenes under acidic conditions results in bicyclic 1,3-oxazinones and not 6-acylpenams as earlier reported. Organic letters, 2005, 7, 1019-1021 |
| 1506467 | CIF | C17 H15 N O3 | P -1 | 7.488; 8.724; 11.424 98.55; 103; 105.39 | 683.61 | Ishikawa, Teruhiko; Miyahara, Tadashi; Asakura, Mami; Higuchi, Shuichi; Miyauchi, Yayoi; Saito, Seiki One-pot multistep synthesis of 4-acetoxy-2-amino-3-arylbenzofurans from 1-aryl-2-nitroethylenes and cyclohexane-1,3-diones. Organic letters, 2005, 7, 1211-1214 |
| 1506468 | CIF | C17 H15 N O4 | P -1 | 7.57; 9.27; 11.24 107.1; 102; 99.6 | 715 | Ishikawa, Teruhiko; Miyahara, Tadashi; Asakura, Mami; Higuchi, Shuichi; Miyauchi, Yayoi; Saito, Seiki One-pot multistep synthesis of 4-acetoxy-2-amino-3-arylbenzofurans from 1-aryl-2-nitroethylenes and cyclohexane-1,3-diones. Organic letters, 2005, 7, 1211-1214 |
| 1506469 | CIF | C24 H20 O4 | P -1 | 9.0452; 10.6117; 11.2674 67.639; 79.657; 84.959 | 983.7 | Xi, Chanjuan; Chen, Chao; Lin, Jie; Hong, Xiaoyin Pd-catalyzed one-pot multicomponent coupling reaction for the highly regioselective synthesis of polysubstituted benzenes. Organic letters, 2005, 7, 347-349 |
| 1506470 | CIF | C25 H27 N O3 S | P -1 | 8.5238; 15.83; 16.8 90.003; 90.0048; 90.098 | 2266.9 | Shimizu, Masamichi; Kimura, Masanari; Watanabe, Toshiya; Tamaru, Yoshinao Palladium-catalyzed allylation of imines with allyl alcohols. Organic letters, 2005, 7, 637-640 |
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