Crystallography Open Database
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1000043 | CIF | Ca F2 | F m -3 m | 5.462; 5.462; 5.462 90; 90; 90 | 163 | Cheetham, A K; Fender, B E F; Cooper, M J Defect structure of calcium fluoride containing excess anions: I. Bragg scattering Journal of Physics C, 1971, 4, 3107-3121 |
1000284 | CIF | Ba2 Cu O8 Pt Y2 | P n m a | 13.207; 5.68; 10.321 90; 90; 90 | 774.2 | Laligant, Y; Ferey, G; Hervieu, M; Raveau, B Synthesis and Single-Crystal Refinement of Ba~2~ Y~2~ Cu Pt O~8~ Europhysics Letters, 1987, 4, 1023-1029 |
1001053 | CIF | Cr O6 Ta2 | P 1 21/c 1 | 4.74; 4.75; 9.305 90; 90.95; 90 | 209.5 | Massard, P; Bernier, J C; Michel, A Effet Jahn-Teller dans le Systeme Ta~2~ Cr O~6~ - Ta Cr O~4~ Journal of Solid State Chemistry, 1972, 4, 269-274 |
1001074 | CIF | Ge3 K O9 Ta | P -6 c 2 | 6.972; 6.972; 10.144 90; 90; 120 | 427 | Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry, 1972, 4, 209-218 |
1001075 | CIF | Ge3 O9 Rb Ta | P -6 c 2 | 7.041; 7.041; 10.116 90; 90; 120 | 434.3 | Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux qermanates et silicates de type benitoite Journal of Solid State Chemistry, 1972, 4, 209-218 |
1001076 | CIF | Ge3 Nb O9 Rb | P -6 c 2 | 7.038; 7.038; 10.132 90; 90; 120 | 434.6 | Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry, 1972, 4, 209-218 |
1001077 | CIF | Ge3 O9 Ta Tl | P -6 c 2 | 7.036; 7.036; 10.124 90; 90; 120 | 434 | Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry, 1972, 4, 209-218 |
1001078 | CIF | Ba Ge3 O9 Sn | P -6 c 2 | 6.894; 6.894; 10.233 90; 90; 120 | 421.2 | Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry, 1972, 4, 209-218 |
1001597 | CIF | C Cu2 O10 Pb0.5 Sr4 Tl0.5 | P 4/m m m | 3.8244; 3.8244; 16.51599 90; 90; 90 | 241.6 | Hervieu, M; Michel, C; Huve, M; Martin, C; Maignan, A; Raveau, B High resolution electron microscopy study of the high T~c~ superconductor Tl~0.5~Pb~0.5~Sr~4~Cu~2~CO~3~O~7~ Microscopy, Microanalysis, Microstructures, 1993, 4, 41-50 |
1001669 | CIF | Hg O14 P4 V2 | P -1 | 4.848; 6.892; 8.077 92.65; 93.26; 106.23 | 258.2 | Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B Two new diphosphates with Sr V2 (P2 O7)2 structure: mercury and lead phases Journal of Materials Chemistry, 1994, 4, 1889-1892 |
1001670 | CIF | O14 P4 Pb V2 | P -1 | 4.804; 7.113; 7.898 89.78; 92.62; 106.1 | 259 | Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B Two new diphosphates with Sr V2 (P2 O7)2 structure: mercury and lead phases Journal of Materials Chemistry, 1994, 4, 1889-1892 |
1001671 | CIF | Cu Nd2 O3.5 | I m m m | 4.237; 3.7675; 11.917 90; 90; 90 | 190.2 | Choisnet, J; Mouron, M; Crespin, M; van Aken, P A; Mueller, W F Perovskite-like intergrowth structure of the reduced cuprate Nd2 Cu O3.5: a combination of defect and excess oxygen non-stoichiometry phenomena Journal of Materials Chemistry, 1994, 4, 895-898 |
1001773 | CIF | Ba O9 Si3 Sn | P -6 c 2 | 6.728; 6.728; 9.838 90; 90; 120 | 385.7 | Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry, 1972, 4, 209-218 |
1004031 | CIF | C5 H18 N2 O9 P2 Zn | C 1 2/c 1 | 13.917; 9.091; 20.489 90; 102.36; 90 | 2532.2 | Fleith, S.; Josien, L.; Simon-Masseron, A.; Gramlich, V.; Patarin, J. Synthesis and characterization of the one-dimensional zincophosphate Mu-22 : [Zn(HPO4)2]8[C5H13N2]88H2O Solid State Sciences, 2002, 4, 135-141 |
1004109 | CIF | Ni3 O9 Sr4 | P 3 2 1 | 9.477; 9.477; 7.825 90; 90; 120 | 608.6 | Abraham, F; Minaud, S; Renard, C Preliminary crystal structure of mixed-valency Sr4 Ni3 O9, the actual formula of the so-called Sr5 Ni4 O11 Journal of Materials Chemistry, 1994, 4, 1763-1764 |
1005011 | CIF | Li Mo N2 | R 3 :H | 2.8674; 2.8674; 15.801 90; 90; 120 | 112.5 | Elder, S H; Doerrer, L H; DiSalvo, F J; Parise, J B; Guyomard, D; Tarascon, J M LiMoN~2~: the first metallic layered nitride Chemistry of Materials (1,1989-, 1992, 4, 928-937 |
1008282 | CIF | Mg2 O4 Pt | F d -3 m :1 | 8.521; 8.521; 8.521 90; 90; 90 | 618.7 | Muller, O; Roy, R Synthesis and crystal structure of Mg~2~ Pt O~4~ and Zn~2~ Pt O~4~ Materials Research Bulletin, 1969, 4, 39-44 |
1008283 | CIF | O4 Pt Zn2 | F d -3 m :1 | 8.549; 8.549; 8.549 90; 90; 90 | 624.8 | Muller, O; Roy, R Synthesis and crystal structure of Mg~2~ Pt O~4~ and Zn~2~ Pt O~4~ Materials Research Bulletin, 1969, 4, 39-44 |
1008499 | CIF | C1.5 Fe11 Th | I 41/a m d :2 | 10.203; 10.203; 6.611 90; 90; 90 | 688.2 | Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter, 1992, 4, 6367-6374 |
1008500 | CIF | C2 Fe11 Th | I 41/a m d :2 | 10.249; 10.249; 6.649 90; 90; 90 | 698.4 | Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter, 1992, 4, 6367-6374 |
1008501 | CIF | C1.35 Fe11 Th | I 41/a m d :2 | 10.191; 10.191; 6.609 90; 90; 90 | 686.4 | Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter, 1992, 4, 6367-6374 |
1008502 | CIF | C1.5 Fe11 Th | I 41/a m d :2 | 10.19; 10.19; 6.592 90; 90; 90 | 684.5 | Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter, 1992, 4, 6367-6374 |
1008503 | CIF | C2 Fe11 Th | I 41/a m d :2 | 10.262; 10.262; 6.656 90; 90; 90 | 700.9 | Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter, 1992, 4, 6367-6374 |
1008504 | CIF | C1.35 Fe11 Th | I 41/a m d :2 | 10.174; 10.174; 6.581 90; 90; 90 | 681.2 | Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter, 1992, 4, 6367-6374 |
1008978 | CIF | As Cr Ni | P -6 2 m | 6.102; 6.102; 3.654 90; 90; 120 | 117.8 | Nylund, M A; Roger, A; Senateur, J P; Fruchart, R Evolution structurale des phosphures, arseniures et arseniophophures M2 P, M2 As et M2 (P1-x Asx) Journal of Solid State Chemistry, 1972, 4, 115-122 |
1008979 | CIF | As Cr Pd | P -6 2 m | 6.51; 6.51; 3.685 90; 90; 120 | 135.2 | Deyris, B; Roy-Montreuil, J; Michel, A; Fruchart, R; Senateur, J P; Boursier, D Influence de l'electronegativite sur l'apparition de l'ordre dans les phases MM'As (M=Ru, Rh, Pd; M' = element des transition 3d) Annales de Chimie (Paris) (Vol=Year), 1979, 4, 411-417 |
1008980 | CIF | As Cr Rh | P -6 2 m | 6.384; 6.384; 3.718 90; 90; 120 | 131.2 | Deyris, B; Roy-Montreuil, J; Michel, A; Fruchart, R; Senateur, J P; Boursier, D Influence de l'electronegativite sur l'apparition de l'ordre dans les phases MM'As (M=Ru, Rh, Pd; M' = element des transition 3d) Annales de Chimie (Paris) (Vol=Year), 1979, 4, 411-417 |
1008987 | CIF | As Mn Ru | P -6 2 m | 6.5155; 6.5155; 3.614 90; 90; 120 | 132.9 | Roy-Montreuil, J; Deyris, B; Michel, A; Fruchart, R; Senateur, J P; Boursier, D Influence de l'electronegativite sur l'apparition de l'ordre dans les phases MM' P et MM' AS Annales de Chimie (Paris) (Vol=Year), 1979, 4, 411-417 |
1009058 | CIF | B2 Mo | P 6/m m m | 3.05; 3.05; 3.113 90; 90; 120 | 25.1 | Bertaut, E. F.; Blum, P. Existence et structure d'une nouvelle phase dans le systeme Mo-B Acta Crystallographica, 1951, 4, 72-72 |
1010041 | CIF | Pt Sb | P 63/m m c | 4.13; 4.13; 5.472 90; 90; 120 | 80.8 | Thomassen, L Ueber Kristallstrukturen einiqer binaerer Verbindungen der Platinmetalle II Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 4, 277-287 |
1010324 | CIF | Ag3 O4 P | P -4 3 n | 5.995; 5.995; 5.995 90; 90; 90 | 215.5 | Helmholz, L The Crystal Structure of Silver Phosphate Journal of Chemical Physics, 1936, 4, 316-322 |
1010439 | CIF | H2 O | 4.74; 4.74; 6.65 90; 90; 120 | 129.4 | John, A S The Crystal Structure of Ice Proceedings of the National Academy of Sciences, U.S.A., 1918, 4, 193-197 | |
1010519 | CIF | Po | C 1 2 1 | 7.42; 4.29; 14.1 90; 92; 90 | 448.6 | Rollier, M A; Hendricks, S B; Maxwell, L R The Crystal Structure of Polonium by Electron Diffraction Journal of Chemical Physics, 1936, 4, 648-652 |
1010520 | CIF | Ge S2 | F d d 2 | 11.66; 22.34; 6.86 90; 90; 90 | 1786.9 | Zachariasen, W H The Crystal Structure of Germanium Disulphide Journal of Chemical Physics, 1936, 4, 618-619 |
1010788 | CIF | Cl2 Mn | 2.34; 2.34; 2.34 91.5; 91.5; 91.5 | 12.8 | Bruni, G; Ferrari, A Sulla struttura cristallina di alcuni cloruri bivalenti Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945), 1926, 4, 10-13 | |
1010798 | CIF | C4 H8 Ba N4 O4 Pd | C 1 2/c 1 | 11.95; 13.82; 6.71 90; 103.63; 90 | 1076.9 | de Rassenfosse, A; Pierard, J Etude cristallographique du palladocyanure de baryum. Ba Pd (C N)~4~ (H~2~ O)~4~. Bulletin de la Societe Royal des Sciences de Liege, 1935, 4, 74-79 |
1010800 | CIF | Ca H10 N4 O5 Pt | 17.08; 18.98; 6.64 90; 90; 90 | 2152.5 | Brasseur, H; de Rassenfosse, A Etude cristallopraphique du platinocyanure de calcium hydrate. Bulletin de la Societe Royal des Sciences de Liege, 1935, 4, 24-33 | |
1010845 | CIF | K2 O4 | I 4/m m m | 5.7; 5.7; 6.72 90; 90; 90 | 218.3 | Kassatochkin, W; Kotow, W Structure of Potassium Tetroxide Journal of Chemical Physics, 1936, 4, 458-458 |
1010848 | CIF | O6 S3 Tl2 | C 1 2/c 1 | 13.2; 7.45; 7.58 90; 91; 90 | 745.3 | Ketelaar, J A A; Sanders, J K The Crystal Structure of Thallium Trithionate, Tl~2~ S~3~ O~6~ Journal of Chemical Physics, 1936, 4, 621-621 |
1010918 | CIF | Ca H O4.5 S | P 32 2 1 S | 6.86; 6.86; 12.7 90; 90; 120 | 517.6 | Gallitelli, P Ricerche sul solfato di calcio semidrato e sull'anidrite solubile Periodico di Mineralogia, 1933, 4, 132-171 |
1011024 | CIF | H2 O | I b a m (a,b,c+1/4) | 10.2; 5.87; 7.17 90; 90; 90 | 429.3 | McFarlan, R L The Structure of Ice III Journal of Chemical Physics, 1936, 4, 253-259 |
1011063 | CIF | H2 O | C 2 2 21 | 7.8; 4.5; 5.56 90; 90; 90 | 195.2 | McFarlan, Ronald L. The Structure of Ice II The Journal of Chemical Physics, 1936, 4, 60-64 |
1011101 | CIF | N Ti | F m -3 m | 4.32; 4.32; 4.32 90; 90; 90 | 80.6 | van Arkel, A E An X-ray examination of titanium nitride. I Physica (Amsterdam) (1,1921-13,1933), 1924, 4, 286-301 |
1011115 | CIF | C2 H10 N2 O5 | P 21 21 2 | 8.04; 10.27; 3.82 90; 90; 90 | 315.4 | Hendriks, S B; Jefferson, M E Electron distribution in (N H4)2 (C2 O4) . (H2 O) and the structure of the oxalate group Journal of Chemical Physics, 1936, 4, 102-107 |
1011161 | CIF | Ag3 As S3 | R 3 c :H | 10.74; 10.74; 8.64 90; 90; 120 | 863.1 | Harker, D The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3 Journal of Chemical Physics, 1936, 4, 381-390 |
1011162 | CIF | Ag3 S3 Sb | R 3 c :H | 11.04; 11.04; 8.71 90; 90; 120 | 919.4 | Harker, D The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3 Journal of Chemical Physics, 1936, 4, 381-390 |
1011348 | CIF | As2 Pd | P a -3 | 5.982; 5.982; 5.982 90; 90; 90 | 214.1 | Thomassen, L Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle II Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 4, 277-287 |
1100115 | CIF | C8 H22 Al F5 N2 | P 1 21 1 | 7.887; 5.502; 15.812 90; 112.03; 90 | 636.053 | E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds Solid State Sciences, 2002, 4, 1213-1219 |
1100116 | CIF | C10 H26 Al F5 N2 | P 1 21 1 | 7.881; 5.489; 18.36 90; 112.21; 90 | 735.303 | E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds Solid State Sciences, 2002, 4, 1213-1219 |
1100117 | CIF | C12 H30 Al F5 N2 | P 1 21 1 | 7.8713; 5.4739; 20.898 90; 112.422; 90 | 832.354 | E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds Solid State Sciences, 2002, 4, 1213-1219 |
1100120 | CIF | C2 Ba2 Co F2 O6 | P b c a | 6.6226; 11.494; 9.021 90; 90; 90 | 686.68 | Ben Ali, A.; Maisonneuve, V.; Kodjikian, S.; Smiri, L. S.; Leblanc, M. Synthesis, crystal structure and magnetic properties of a new fluoride carbonate Ba~2~Co(CO~3~)~2~F~2~ Solid State Sciences, 2002, 4, 503-506 |
1100121 | CIF | C Ba F2 Mn O3 | P 63/m | 4.912; 4.912; 9.919 90; 90; 120 | 207.26 | Ben Ali, A.; Maisonneuve, V.; Smiri, L.S.; Leblanc, M. Synthesis and crystal structure of Ba Zn (C O3) F2; revision of the structure of Ba Mn (C O3) F2 Solid State Sciences, 2002, 4, 891-894 |
1100122 | CIF | C Ba F2 O3 Zn | P 63/m | 4.8523; 4.8523; 9.854 90; 90; 120 | 200.93 | Ben Ali, A.; Maisonneuve, V.; Smiri, L.S.; Leblanc, M. Synthesis and crystal structure of Ba Zn (C O3) F2; revision of the structure of Ba Mn (C O3) F2 Solid State Sciences, 2002, 4, 891-894 |
1100127 | CIF | C2 F Na2 O6 Yb | C 1 2/c 1 | 17.44; 6.1003; 11.2366 90; 95.64; 90 | 1189.67 | Ben Ali, A.; Maisonneuve, V.; Leblanc, M. Phase stability regions in the (Na2 C O3) - (Yb F3) - (H2 O) system at 190 C. Crystal structures of two new fluoride carbonates, Na2 Yb (C O3)2 F and Na3 Yb (C O3)2 F2 Solid State Sciences, 2002, 4, 1367-1375 |
1100128 | CIF | C2 F2 Na3 O6 Yb | C 1 c 1 | 7.127; 29.816; 6.928 90; 112.56; 90 | 1359.54 | Ben Ali, A.; Maisonneuve, V.; Leblanc, M. Phase stability regions in the (Na2 C O3) - (Yb F3) - (H2 O) system at 190 C. Crystal structures of two new fluoride carbonates, Na2 Yb (C O3)2 F and Na3 Yb (C O3)2 F2 Solid State Sciences, 2002, 4, 1367-1375 |
1100644 | CIF | C30 H40 Cl2 N2 O6 Zn2 | P -1 | 8.6024; 10.1643; 10.2254 86.61; 79.601; 69.707 | 824.81 | Boche, Gernot; Bosold, Ferdinand; Hermann, Holger; Marsch, Michael; Harms, Klaus; Lohrenz, J. C. W. Crystal Structure of [2-ZnCl-benzoxazole·2 THF]~2~: The Remarkable Difference between 2-ZnHal- and 2-Li-oxazoles Chemistry - A European Journal, 1998, 4, 814-817 |
1101061 | CIF | C36 H32 Ag2 N26 O14 Pt2 | C 1 2/c 1 | 25.778; 13.521; 13.315 90; 98.06; 90 | 4595 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure Structure of a tetranuclear heterometallic Ag(I)-Pt(II) complex with a triazolopyrimidine derivative. Inorganic Chemistry Communications, 2001, 4, 254-256 |
1505170 | CIF | C40 H38 N8 O4 | P 1 21/n 1 | 5.6367; 32.91; 9.4476 90; 102.342; 90 | 1712.1 | Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John Cocrystal or Salt: Does It Really Matter? Molecular Pharmaceutics, 2007, 4, 317 |
1505171 | CIF | C15 H11 F2 N3 O2 | P 1 21/n 1 | 7.1555; 17.958; 10.9686 90; 101.301; 90 | 1382.1 | Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John Cocrystal or Salt: Does It Really Matter? Molecular Pharmaceutics, 2007, 4, 317 |
1505172 | CIF | C32 H39 N3 O4 | P -1 | 8.8864; 11.9875; 13.7015 99.38; 93.191; 107.556 | 1364.42 | Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John Cocrystal or Salt: Does It Really Matter? Molecular Pharmaceutics, 2007, 4, 317 |
1505173 | CIF | C32 H24 N8 O12 | P -1 | 9.7657; 11.7691; 14.0803 86.227; 74.163; 86.202 | 1551.53 | Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John Cocrystal or Salt: Does It Really Matter? Molecular Pharmaceutics, 2007, 4, 317 |
1505174 | CIF | C13 H16 N4 O4 | P 1 21/m 1 | 8.7478; 6.5361; 12.5842 90; 107.296; 90 | 686.98 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
1505175 | CIF | C14 H15 N4 O5 | P 1 21/n 1 | 6.9183; 25.9086; 7.9749 90; 104.754; 90 | 1382.32 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
1505176 | CIF | C18 H16 N4 O5 | P 1 21/c 1 | 11.814; 31.707; 8.92 90; 98.072; 90 | 3308.2 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
1505177 | CIF | C14 H14 N4 O5 | P 1 21/c 1 | 7.1201; 7.928; 24.763 90; 91.66; 90 | 1397.2 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
1505178 | CIF | C15 H17 N5 O4 | P 1 21/n 1 | 8.7337; 15.3838; 11.5271 90; 99.256; 90 | 1528.59 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
1505179 | CIF | C8 H12 N5 O2 | P 1 21/c 1 | 8.7804; 6.5989; 16.0041 90; 102.292; 90 | 906.04 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
1505180 | CIF | C16 H26 N10 O5 | P -1 | 8.3936; 10.2277; 11.8295 78.839; 77.795; 81.075 | 966.87 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
1505181 | CIF | C17 H13 F3 N2 O6 | P 1 21/c 1 | 8.1434; 20.7559; 10.6511 90; 110.276; 90 | 1688.73 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
1505182 | CIF | C19 H18 N4 O5 | P 1 21/n 1 | 7.6063; 14.042; 16.327 90; 94.03; 90 | 1739.5 | Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; Borchardt, Thomas B.; MacGillivray, Leonard R.; Zhang, Geoff G. Z. Co-Crystals of Caffeine and Hydroxy-2-naphthoic Acids: Unusual Formation of the Carboxylic Acid Dimer in the Presence of a Heterosynthon Molecular Pharmaceutics, 2007, 4, 339 |
1505183 | CIF | C19 H18 N4 O5 | P 1 21/c 1 | 9.04; 24.42; 8.654 90; 117.015; 90 | 1702 | Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; Borchardt, Thomas B.; MacGillivray, Leonard R.; Zhang, Geoff G. Z. Co-Crystals of Caffeine and Hydroxy-2-naphthoic Acids: Unusual Formation of the Carboxylic Acid Dimer in the Presence of a Heterosynthon Molecular Pharmaceutics, 2007, 4, 339 |
1505184 | CIF | C19 H18 N4 O5 | P -1 | 8.029; 8.592; 13.996 106.475; 98.162; 104.904 | 870.3 | Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; Borchardt, Thomas B.; MacGillivray, Leonard R.; Zhang, Geoff G. Z. Co-Crystals of Caffeine and Hydroxy-2-naphthoic Acids: Unusual Formation of the Carboxylic Acid Dimer in the Presence of a Heterosynthon Molecular Pharmaceutics, 2007, 4, 339 |
1505185 | CIF | C13 H18 N4 O10 | P 1 21/c 1 | 17.9217; 6.1766; 15.3751 90; 105.212; 90 | 1642.32 | Karki, Shyam; Friščić, Tomislav; Jones, William; Motherwell, W. D. Samuel Screening for Pharmaceutical Cocrystal Hydrates via Neat and Liquid-Assisted Grinding Molecular Pharmaceutics, 2007, 4, 347 |
1505186 | CIF | C14 H18 N4 O9 | P -1 | 7.3874; 8.3967; 13.5053 91.333; 99.04; 99.588 | 814.72 | Karki, Shyam; Friščić, Tomislav; Jones, William; Motherwell, W. D. Samuel Screening for Pharmaceutical Cocrystal Hydrates via Neat and Liquid-Assisted Grinding Molecular Pharmaceutics, 2007, 4, 347 |
1505187 | CIF | C2 H5 O5.5 | P n m a | 11.231; 12.33; 6.9082 90; 90; 90 | 956.6 | Wenger, Mazal; Bernstein, Joel Cocrystal Design Gone Awry? A New Dimorphic Hydrate of Oxalic Acid Molecular Pharmaceutics, 2007, 4, 355 |
1505188 | CIF | C4 H9 O11 | P -1 | 6.337; 7.247; 10.571 94.345; 100.244; 97.674 | 471 | Wenger, Mazal; Bernstein, Joel Cocrystal Design Gone Awry? A New Dimorphic Hydrate of Oxalic Acid Molecular Pharmaceutics, 2007, 4, 355 |
1505189 | CIF | C26 H22 N4 O2 | P 1 21/c 1 | 13.223; 6.1971; 14.63 90; 113.661; 90 | 1098.1 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505190 | CIF | C19 H15 N3 O | C 1 2/c 1 | 18.715; 7.228; 23.208 90; 90.478; 90 | 3139 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505191 | CIF | C26 H20 N4 O2 | P 1 21/n 1 | 16.5421; 7.5056; 18.709 90; 106.763; 90 | 2224.2 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505192 | CIF | C24 H18 N4 O2 | P 1 21/c 1 | 20.866; 7.437; 6.7662 90; 98.142; 90 | 1039.4 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505193 | CIF | C18 H14 N2 O | P 1 21/c 1 | 9.906; 21.65; 7.59 90; 112.14; 90 | 1508 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505194 | CIF | C24 H18 N4 O2 | P 1 21/n 1 | 12.7871; 7.2838; 44.445 90; 90.895; 90 | 4139 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505195 | CIF | C18 H14 N2 O | C 1 2/c 1 | 26.217; 7.481; 19.41 90; 128.31; 90 | 2987 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505196 | CIF | C24 H18 N4 O2 | P -1 | 3.8483; 8.755; 14.364 96.647; 94.498; 95.474 | 476.5 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505197 | CIF | C26 H22 N4 O2 | P 1 21/c 1 | 11.195; 7.335; 13.53 90; 99.465; 90 | 1095.9 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505198 | CIF | C19 H15 N3 O | C 1 c 1 | 18.503; 7.5019; 21.971 90; 92.181; 90 | 3047.5 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505199 | CIF | C19 H15 N3 O | P -1 | 7.616; 10.003; 22.497 87.342; 81.024; 69.737 | 1588.1 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505200 | CIF | C26 H20 N4 O2 | P 1 21/c 1 | 14.66; 4.11; 18.29 90; 90.74; 90 | 1101.9 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505201 | CIF | C24 H18 N4 O2 | C 1 2/c 1 | 39.87; 7.586; 6.915 90; 91.972; 90 | 2090 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505202 | CIF | C24 H18 N6 O3 | P -1 | 7.889; 8.156; 19.673 83.866; 85.627; 63.512 | 1125.9 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505203 | CIF | C18 H14 N4 O2 | P -1 | 9.171; 9.941; 10.265 95.674; 94.987; 114.784 | 836.9 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505204 | CIF | C30 H24 F4 N4 O4 S | P -1 | 8.274; 10.172; 18.601 87.521; 78.256; 71.067 | 1449.4 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505205 | CIF | C12 H10 N4 O5 | P 1 21/n 1 | 10.385; 7.2222; 16.3763 90; 93.686; 90 | 1225.72 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
1505206 | CIF | C16 H18 N4 O5 | P -1 | 8.4083; 9.8893; 10.6761 73.201; 79.022; 74.182 | 811.64 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
1505207 | CIF | C6 H6 N3 O4 | P 1 21/n 1 | 5.258; 6.478; 22.118 90; 95.795; 90 | 749.5 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
1505208 | CIF | C24 H18 N4 O8 S2 | P 1 21/n 1 | 6.5207; 14.0377; 13.1232 90; 104.28; 90 | 1164.12 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
1505209 | CIF | C13 H17 N3 O4 | P 1 21/c 1 | 7.2276; 19.5811; 9.9928 90; 98.136; 90 | 1399.99 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
1505210 | CIF | C20 H26 N4 O5 | P 1 21/c 1 | 8.2106; 23.9166; 20.6318 90; 96.67; 90 | 4024 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
1505211 | CIF | C24 H22 N4 O6 | P -1 | 5.692; 9.482; 10.751 69.893; 84.232; 84.969 | 541.2 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
1505212 | CIF | C9 H11 N2 O4 | P -1 | 6.409; 7.372; 11.064 96.127; 97.22; 105.35 | 494.7 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
1505213 | CIF | C23 H18 N4 O3 | P -1 | 7.284; 10.688; 14.132 100.25; 102.463; 109.079 | 977.8 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
1505214 | CIF | C17 H14 N3 O2 | P 1 21/c 1 | 10.237; 27.247; 5.135 90; 102.708; 90 | 1397.2 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
1507424 | CIF | C34 H30 | C 1 2/c 1 | 25.074; 6.482; 19.246 90; 124.441; 90 | 2579.7 | Anthony, John E.; Eaton, David L.; Parkin, Sean R. A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives Organic Letters, 2002, 4, 15 |
1507425 | CIF | C32 H30 Si2 | P -1 | 5.833; 10.146; 11.642 76.25; 76.93; 84.99 | 651.5 | Anthony, John E.; Eaton, David L.; Parkin, Sean R. A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives Organic Letters, 2002, 4, 15 |
1507426 | CIF | C38 H42 Si2 | P -1 | 7.819; 13.569; 16.508 70; 85.08; 74.12 | 1582.9 | Anthony, John E.; Eaton, David L.; Parkin, Sean R. A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives Organic Letters, 2002, 4, 15 |
1507427 | CIF | C38 H42 Si2 | C 1 2/c 1 | 30.511; 7.387; 32.106 90; 118.186; 90 | 6378.1 | Anthony, John E.; Eaton, David L.; Parkin, Sean R. A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives Organic Letters, 2002, 4, 15 |
1507428 | CIF | C18 H9 F12 O5 P | P 1 21/c 1 | 11.2604; 15.5456; 12.5778 90; 113.165; 90 | 2024.23 | Hanes, Robert E.; Lynch, Vincent M.; Anslyn, Eric V.; Dalby, Kevin N. Toward a Stable Hydroxyphosphorane Organic Letters, 2002, 4, 201 |
1507429 | CIF | C10 H12 Se4 | P 1 21/c 1 | 4.5764; 13.449; 10.3777 90; 95.939; 90 | 635.3 | Werz, Daniel B.; Staeb, Tobias H.; Benisch, Christoph; Rausch, Bernhard J.; Rominger, Frank; Gleiter, Rolf Self-Organization of Chalcogen-Containing Cyclic Alkynes and Alkenes To Yield Columnar Structures Organic Letters, 2002, 4, 339 |
1507430 | CIF | C14 H20 Se4 | P 1 21/c 1 | 4.637; 17.2194; 10.3998 90; 91.907; 90 | 829.93 | Werz, Daniel B.; Staeb, Tobias H.; Benisch, Christoph; Rausch, Bernhard J.; Rominger, Frank; Gleiter, Rolf Self-Organization of Chalcogen-Containing Cyclic Alkynes and Alkenes To Yield Columnar Structures Organic Letters, 2002, 4, 339 |
1507431 | CIF | C12 H20 S4 | P 1 21/c 1 | 5.2225; 10.3139; 14.2995 90; 99.951; 90 | 758.65 | Werz, Daniel B.; Staeb, Tobias H.; Benisch, Christoph; Rausch, Bernhard J.; Rominger, Frank; Gleiter, Rolf Self-Organization of Chalcogen-Containing Cyclic Alkynes and Alkenes To Yield Columnar Structures Organic Letters, 2002, 4, 339 |
1507432 | CIF | C16 H28 S4 | P 1 21/c 1 | 9.8648; 5.2409; 18.8504 90; 100.833; 90 | 957.21 | Werz, Daniel B.; Staeb, Tobias H.; Benisch, Christoph; Rausch, Bernhard J.; Rominger, Frank; Gleiter, Rolf Self-Organization of Chalcogen-Containing Cyclic Alkynes and Alkenes To Yield Columnar Structures Organic Letters, 2002, 4, 339 |
1507433 | CIF | C16 H14 N O3 S | P -1 | 8.187; 9.357; 10.88 109.46; 100.41; 106.86 | 715.7 | Lee, Dong Joon; Kim, Kyongtae; Park, Yung Ja Novel Synthesis of 5,6-Dihydro-4H-thieno[3,2-b]pyrrol-5-ones via the Rhodium(II)-Mediated Wolff Rearrangement of 3-(Thieno-2-yl)-3-oxo-2-diazopropanoates Organic Letters, 2002, 4, 873 |
1507434 | CIF | C22 H27 N O4 | P 1 21 1 | 7.639; 9.002; 14.719 90; 91.3; 90 | 1011.9 | Hirose, Tomoyasu; Sunazuka, Toshiaki; Shirahata, Tatsuya; Yamamoto, Daisuke; Harigaya, Yoshihiro; Kuwajima, Isao; Ōmura, Satoshi Short Total Synthesis of (+)-Madindolines A and B Organic Letters, 2002, 4, 501 |
1507435 | CIF | C50 H66 N4 O2 | P -1 | 8.4503; 8.5384; 15.8256 93.928; 94.197; 106.882 | 1084.88 | Wong, Ken-Tsung; Hung, Tsung Shi; Lin, Yuting; Wu, Chung-Chih; Lee, Gene-Hsiang; Peng, Shie-Ming; Chou, Chung Hsien; Su, Yuhlong Oliver Suzuki Coupling Approach for the Synthesis of Phenylene−Pyrimidine Alternating Oligomers for Blue Light-Emitting Material Organic Letters, 2002, 4, 513 |
1507436 | CIF | C21 H22 O2 | P 1 21/a 1 | 10.83; 10.22; 15.06 90; 90.32; 90 | 1667 | Clayden, Jonathan; Kenworthy, Martin N. Dearomatizing Annelation of Five-Membered Rings to Naphthalenes by Organolithium Cyclization Organic Letters, 2002, 4, 787 |
1507437 | CIF | C45 H72 I N O7 Si2 | P 1 21 1 | 14.6699; 7.7774; 21.9785 90; 107.13; 90 | 2396.37 | Hale, Karl J.; Dimopoulos, Paschalis; Cheung, Maxine L. F.; Frigerio, Mark; Steed, Jonathan W.; Levett, Philip C. A Biosynthetic Proposal for Ring Formation in the Antitumor Agent Halichomycin. Asymmetric Synthesis of the AB-Carbon Backbone of Halichomycin Organic Letters, 2002, 4, 897-900 |
1507438 | CIF | C19 H26 O5 | C 1 2/c 1 | 32.068; 6.4068; 17.829 90; 97.466; 90 | 3632 | Hong, Bor-Cherng; Shr, Yeong-Jou; Liao, Ju-Hsiou Unprecedented Microwave Effects on the Cycloaddition of Fulvenes. A New Approach to the Construction of Polycyclic Ring Systems Organic Letters, 2002, 4, 663 |
1507439 | CIF | C20 H23 N O2 | P -1 | 7.905; 8.227; 13.861 99.55; 105.59; 95.6 | 846.6 | Hong, Bor-Cherng; Shr, Yeong-Jou; Liao, Ju-Hsiou Unprecedented Microwave Effects on the Cycloaddition of Fulvenes. A New Approach to the Construction of Polycyclic Ring Systems Organic Letters, 2002, 4, 663 |
1507440 | CIF | C14 H14 O2 | P 1 21/n 1 | 8.693; 7.304; 18.231 90; 102.64; 90 | 1129.5 | Hong, Bor-Cherng; Shr, Yeong-Jou; Liao, Ju-Hsiou Unprecedented Microwave Effects on the Cycloaddition of Fulvenes. A New Approach to the Construction of Polycyclic Ring Systems Organic Letters, 2002, 4, 663 |
1507441 | CIF | C24 H21 N2 O3 P S | P 1 c 1 | 9.76; 9.994; 12.081 90; 107.99; 90 | 1120.8 | Moss, Robert A.; Gong, Paul K.; Morales-Rojas, Hugo Stereochemical Study of Phosphonothioate Cleavage by a Metallomicelle Organic Letters, 2002, 4, 1835 |
1507442 | CIF | C14 H14 N2 O2 S4 | P 1 21/c 1 | 10.9333; 15.1525; 11.1724 90; 114.297; 90 | 1686.95 | Morita, Yasushi; Maki, Suguru; Ohmoto, Makoto; Kitagawa, Hiroshi; Okubo, Takashi; Mitani, Tadaoki; Nakasuji, Kazuhiro Hydrogen-Bonded Charge-Transfer Complexes of TTF Containing a Uracil Moiety: Crystal Structures and Electronic Properties of the Hydrogen Cyananilate and TCNQ Complexes Organic Letters, 2002, 4, 2185 |
1507443 | CIF | C24 H18 N5 O6 S4 | P -1 | 11.1052; 13.194; 9.958 106.198; 91.656; 108.415 | 1318.39 | Morita, Yasushi; Maki, Suguru; Ohmoto, Makoto; Kitagawa, Hiroshi; Okubo, Takashi; Mitani, Tadaoki; Nakasuji, Kazuhiro Hydrogen-Bonded Charge-Transfer Complexes of TTF Containing a Uracil Moiety: Crystal Structures and Electronic Properties of the Hydrogen Cyananilate and TCNQ Complexes Organic Letters, 2002, 4, 2185 |
1507444 | CIF | C28 H44 N0 O5 | P 1 21 1 | 17.185; 7.408; 10.45 90; 102.4; 90 | 1299.3 | Betancor, Carmen; Freire, Raimundo; Pérez-Martín, Inés; Prangé, Thierry; Suárez, Ernesto A Convenient Synthesis of C-22 and C-25 Stereoisomers of Cephalostatin North 1 Side Chain from Spirostan Sapogenins Organic Letters, 2002, 4, 1295 |
1507445 | CIF | C28 H30 N0 O5 | P 1 21 1 | 12.57; 5.901; 16.872 90; 90.64; 90 | 1251.4 | Betancor, Carmen; Freire, Raimundo; Pérez-Martín, Inés; Prangé, Thierry; Suárez, Ernesto A Convenient Synthesis of C-22 and C-25 Stereoisomers of Cephalostatin North 1 Side Chain from Spirostan Sapogenins Organic Letters, 2002, 4, 1295 |
1507446 | CIF | C20 H27 I O5 | P -1 | 16.2206; 22.134; 11.6664 90; 90; 90 | 4188.5 | Usuda, Hiroyuki; Kanai, Motomu; Shibasaki, Masakatsu Studies toward the Total Synthesis of Garsubellin A: A Concise Synthesis of the 18-epi-Tricyclic Core Organic Letters, 2002, 4, 859 |
1507447 | CIF | C100 H112 N8 O8 | C 1 2/c 1 | 31.382; 14.509; 19.533 90; 101.269; 90 | 8722 | Spencer, Douglas J. E.; Johnson, Bryan J.; Johnson, Brian J.; Tolman, William B. Calix[4]arenes Linked to Multiple Bidentate N-Donors: Potential Ligands for Synthetic Modeling of Multinuclear Metalloenzymes Organic Letters, 2002, 4, 1391 |
1507448 | CIF | C80 H64 N4 O22 | P 1 21/n 1 | 22.191; 15.293; 22.856 90; 106.303; 90 | 7445 | Shivanyuk, Alexander; Far, Adel Rafai; Rebek, Julius Rigid Tetranitroresorcinarenes Organic Letters, 2002, 4, 1555 |
1507449 | CIF | C16 H14 N2 O3 S | P 21 21 21 | 7.9615; 9.9599; 38.3334 90; 90; 90 | 3039.68 | Siu, Tung; Yudin, Andrei K. Electrochemical Imination of Sulfoxides Using N-Aminophthalimide Organic Letters, 2002, 4, 1839 |
1507450 | CIF | C21 H27 F3 N2 O5 | P 41 | 12.229; 12.229; 15.675 90; 90; 90 | 2344 | Okano, Takashi; Fumoto, Masataka; Kusukawa, Takahiro; Fujita, Makoto Synthesis of Optically Active Trifluoromethylated Indolizidine Derivatives via Stereoselective Radical Cyclization Organic Letters, 2002, 4, 1571 |
1507451 | CIF | C12 H18 F3 N O | P 21 21 21 | 5.9581; 13.713; 15.466 90; 90; 90 | 1263.6 | Okano, Takashi; Fumoto, Masataka; Kusukawa, Takahiro; Fujita, Makoto Synthesis of Optically Active Trifluoromethylated Indolizidine Derivatives via Stereoselective Radical Cyclization Organic Letters, 2002, 4, 1571 |
1507452 | CIF | C13 H17 Br O2 | P 1 21 1 | 8.958; 6.548; 11.546 90; 107.92; 90 | 644.4 | Van Cauwenberge, Gunther; Gao, Ling-Jie; Van Haver, Dirk; Milanesio, Marco; Viterbo, Davide; De Clercq, Pierre J. A Novel Short Convergent Entry into Himbacine Derivatives Organic Letters, 2002, 4, 1579 |
1507453 | CIF | C30 H32 N O2 P | P 1 21 1 | 7.5807; 15.193; 11.4579 90; 95.296; 90 | 1314 | Dai, Wei-Min; Yeung, Kelly Ka Yim; Liu, Jin-Teng; Zhang, Ye; Williams, Ian D. A Novel Class of Nonbiaryl Atropisomeric P,O-Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation† Organic Letters, 2002, 4, 1615 |
1507454 | CIF | C29 H30 N O2 P | P 1 21 1 | 14.0092; 11.9178; 16.5822 90; 114.921; 90 | 2510.8 | Dai, Wei-Min; Yeung, Kelly Ka Yim; Liu, Jin-Teng; Zhang, Ye; Williams, Ian D. A Novel Class of Nonbiaryl Atropisomeric P,O-Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation† Organic Letters, 2002, 4, 1615 |
1507455 | CIF | C22 H38 O7 | P 21 21 21 | 9.322; 9.454; 27.584 90; 90; 90 | 2431 | Salomon, Christine E.; Williams, David H.; Lobkovsky, Emil; Clardy, Jon C.; Faulkner, D. John Relative and Absolute Stereochemistry of the Didemnaketals, Metabolites of a Palauan Ascidian,Didemnumsp. Organic Letters, 2002, 4, 1699 |
1507456 | CIF | C28 H41 N O Si4 | P -1 | 11.1473; 12.954; 22.317 97.649; 99.83; 95.559 | 3123.4 | El-Sayed, Ibrahim; Guliashvili, Tamaz; Hazell, Rita; Gogoll, Adolf; Ottosson, Henrik Evidence for Formation of Silenes Strongly Influenced by Reversed SiC Bond Polarity Organic Letters, 2002, 4, 1915 |
1507457 | CIF | C24 H12 | P 1 21/c 1 | 15.468; 3.8318; 25.454 90; 101.002; 90 | 1480.9 | Dosa, Peter I.; Whitener, Glenn D.; Vollhardt, K. Peter C.; Bond, Andrew D.; Teat, Simon J. Cobalt-Mediated Synthesis of Angular [4]Phenylene: Structural Characterization of a Metallacyclopentadiene(Alkyne) Intermediate and Its Thermal and Photochemical Conversion Organic Letters, 2002, 4, 2075 |
1507458 | CIF | C37.5 H31 Co | P -1 | 7.0791; 13.176; 15.734 111.494; 95.57; 100.867 | 1318.7 | Dosa, Peter I.; Whitener, Glenn D.; Vollhardt, K. Peter C.; Bond, Andrew D.; Teat, Simon J. Cobalt-Mediated Synthesis of Angular [4]Phenylene: Structural Characterization of a Metallacyclopentadiene(Alkyne) Intermediate and Its Thermal and Photochemical Conversion Organic Letters, 2002, 4, 2075 |
1507459 | CIF | C36 H31 Co O0.5 | C 1 2/c 1 | 14.4895; 9.0045; 40.411 90; 96.501; 90 | 5238.5 | Dosa, Peter I.; Whitener, Glenn D.; Vollhardt, K. Peter C.; Bond, Andrew D.; Teat, Simon J. Cobalt-Mediated Synthesis of Angular [4]Phenylene: Structural Characterization of a Metallacyclopentadiene(Alkyne) Intermediate and Its Thermal and Photochemical Conversion Organic Letters, 2002, 4, 2075 |
1507460 | CIF | C27 H40 Br N3 O6 | P 21 21 21 | 11.468; 12.686; 20.298 90; 90; 90 | 2953 | Gralla, Gabriele; Wibbeling, Birgit; Hoppe, Dieter Synthesis of an Ethynyl Carbamate and Application for Enantioselective Cyclocarbolithiation Organic Letters, 2002, 4, 2193 |
1507461 | CIF | C19 H18 Cl3 N O2 | P 21 21 21 | 12.36; 13.93; 10.496 90; 90; 90 | 1807 | Mita, Tsuyoshi; Ohtsuki, Natsuki; Ikeno, Taketo; Yamada, Tohru Enantioselective 1,3-Dipolar Cycloaddition of Nitrones Catalyzed by Optically Active Cationic Cobalt(III) Complexes Organic Letters, 2002, 4, 2457 |
1507462 | CIF | C25 H30 Cl4 Ir N O | P 1 21/c 1 | 13.2705; 12.1408; 15.91 90; 97.531; 90 | 2541.2 | Suzuki, Takeyuki; Morita, Kenji; Tsuchida, Mika; Hiroi, Kunio Mild and Chemoselective Synthesis of Lactones from Diols Using a Novel Metal−Ligand Bifunctional Catalyst Organic Letters, 2002, 4, 2361 |
1507463 | CIF | C11 H9 N O2 | P 1 21/c 1 | 13.6525; 8.1225; 8.4007 90; 97.529; 90 | 923.54 | Hong, Bor-Cherng; Shr, Yeong-Jou; Wu, Jian-Lin; Gupta, Arun Kumar; Lin, Kuan-Jiuh Novel [6 + 2] Cycloaddition of Fulvenes with Alkenes: A Facile Synthesis of the Anislactone and Hirsutane Framework Organic Letters, 2002, 4, 2249 |
1507464 | CIF | C30 H22 | P 1 21/n 1 | 10.9686; 5.7792; 16.9883 90; 101.516; 90 | 1055.21 | Brizius, Glen; Bunz, Uwe H. F. Increased Activity of in Situ Catalysts for Alkyne Metathesis Organic Letters, 2002, 4, 2829 |
1507465 | CIF | C29 H38 | P -1 | 11.355; 11.344; 18.115 89.578; 78.647; 82.3 | 2266.7 | Iikubo, Takashi; Hirai, Katsuyuki; Tomioka, Hideo Generation, Direct Observation, and Kinetics of Triplet 9-(1,1,4,4,5,5,8,8- Octamethyl-1,2,3,4,5,6,7,8-octahydro- anthryl)phenylcarbene Organic Letters, 2002, 4, 2261 |
1507466 | CIF | C29 H38 N2 | P 1 21/c 1 | 12.237; 9.6067; 20.3737 90; 93.534; 90 | 2390.5 | Iikubo, Takashi; Hirai, Katsuyuki; Tomioka, Hideo Generation, Direct Observation, and Kinetics of Triplet 9-(1,1,4,4,5,5,8,8- Octamethyl-1,2,3,4,5,6,7,8-octahydro- anthryl)phenylcarbene Organic Letters, 2002, 4, 2261 |
1507467 | CIF | C26 H40 O2 | P 21 21 21 | 7.1993; 10.0365; 31.1705 90; 90; 90 | 2252.25 | Loh, Teck-Peng; Hu, Qi-Ying; Ma, Li-Ting Stereocontrolled Synthesis of Linear 22R-Homoallylic Sterols via a Triflic Acid-Catalyzed 2-Oxonia Cope Rearrangement Organic Letters, 2002, 4, 2389 |
1507468 | CIF | C64 H89 Cl6 N5 O8 | C 2 2 21 | 12.621; 22.358; 23.335 90; 90; 90 | 6585 | Falábu, Dezsö; Shivanyuk, Alexander; Nissinen, Maija; Rissanen, Kari Complexation of Small Molecules by Open-Ended Resorcarene Hosts Organic Letters, 2002, 4, 3019 |
1507469 | CIF | C20 H22 Co2 O11 Si | P 1 21/c 1 | 11.678; 9.253; 24.678 90; 94.235; 90 | 2659 | Skaggs, Aaron J.; Lin, Eleanor Y.; Jamison, Timothy F. Cobalt Cluster-Containing Carbonyl Ylides for Catalytic, Three-Component Assembly of Oxygen Heterocycles Organic Letters, 2002, 4, 2277 |
1507470 | CIF | C52 H48 O6 | P -1 | 10.665; 11.095; 19.934 83.635; 78.07; 65.68 | 2102.1 | Barhate, Nivrutti B.; Chen, Chien-Tien Catalytic Asymmetric Oxidative Couplings of 2-Naphthols by TridentateN-Ketopinidene-Based Vanadyl Dicarboxylates Organic Letters, 2002, 4, 2529 |
1507471 | CIF | C20 H32 F N O2 S Si | P 1 21/c 1 | 8.43; 28.3483; 10.035 90; 101.904; 90 | 2346.56 | Lan, Yunfeng; Hammond, Gerald B. Functionalization of Monofluoroallene and the Synthesis of Aryl-Substituted Conjugated Fluorodienes Organic Letters, 2002, 4, 2437 |
1507472 | CIF | C18 H24 N4 O | C 1 2/c 1 | 32.285; 6.4839; 18.619 90; 117.533; 90 | 3456.1 | Kelly, T. Ross; Cavero, Marta Selective Monoacylation of a Diamine Using Intramolecular Delivery by a DMAP Unit Organic Letters, 2002, 4, 2653 |
1507473 | CIF | C15 H14 O2 | P 1 21 1 | 8.609; 5.81; 12.628 90; 105.779; 90 | 607.83 | Capriati, Vito; Florio, Saverio; Luisi, Renzo; Salomone, Antonio Oxiranyl Anion-Mediated Synthesis of Highly Enantiomerically Enriched Styrene Oxide Derivatives Organic Letters, 2002, 4, 2445 |
1507474 | CIF | C134 H28 Cl12 O6 P2 | P 1 21/c 1 | 19.81; 15.45; 28.723 90; 101.23; 90 | 8623 | Cheng, Fuyong; Murata, Yasujiro; Komatsu, Koichi Synthesis, X-ray Structure, and Properties of the Singly Bonded C60Dimer Having Diethoxyphosphorylmethyl Groups Utilizing the Chemistry of C602- Organic Letters, 2002, 4, 2541 |
1507475 | CIF | C58 H42 N2 O4 | P 21 21 21 | 8.9674; 20.8342; 23.2481 90; 90; 90 | 4343.41 | Shimada, Toyoshi; Kina, Asato; Ikeda, Syushiro; Hayashi, Tamio A Novel Axially Chiral 2,2‘-BipyridineN,N‘-Dioxide. Its Preparation and Use for Asymmetric Allylation of Aldehydes with Allyl(trichloro)silane as a Highly Efficient Catalyst Organic Letters, 2002, 4, 2799 |
1507476 | CIF | C18 H20 Cl N O3 S | P -1 | 10.218; 11.247; 8.086 98.16; 101.84; 84.16 | 897.7 | Yamada, Ken-ichi; Fujihara, Hidetaka; Yamamoto, Yasutomo; Miwa, Yoshihisa; Taga, Tooru; Tomioka, Kiyoshi Radical Addition of Ethers to Imines Initiated by Dimethylzinc Organic Letters, 2002, 4, 3509 |
1507477 | CIF | C24 H16 O3 | P 1 21/c 1 | 8.1438; 11.5962; 18.591 90; 95.066; 90 | 1748.8 | Liu, Jin; Brooks, Neil R. Stereoselective Stobbe Condensation of Ethyl Methyl Diphenylmethylenesuccinate with Aromatic Aldehydes Organic Letters, 2002, 4, 3521 |
1507478 | CIF | C15 H21 N O3 S | P 1 21/c 1 | 12.314; 5.395; 23.491 90; 99.5; 90 | 1539.2 | Williams, Jodi T.; Bahia, Perdip Singh; Snaith, John S. Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: A Switch in Diastereoselectivity between Lewis and Brønsted Acid Catalysts Organic Letters, 2002, 4, 3727 |
1507479 | CIF | C20 H27 N O6 | P 1 21 1 | 17.1716; 6.2714; 19.602 90; 90.762; 90 | 2110.8 | Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies Organic Letters, 2002, 4, 4387 |
1507480 | CIF | C23 H32 N2 O7 | P 21 21 21 | 6.7036; 15.5557; 22.4024 90; 90; 90 | 2336.1 | Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies Organic Letters, 2002, 4, 4387 |
1507481 | CIF | C22 H28 N2 O6 | P 21 21 21 | 6.7479; 13.9428; 22.927 90; 90; 90 | 2157.08 | Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies Organic Letters, 2002, 4, 4387 |
1507482 | CIF | C20 H24 Br N O5 | P 1 21 1 | 8.1266; 6.78; 17.9128 90; 97.228; 90 | 979.1 | Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies Organic Letters, 2002, 4, 4387 |
1507483 | CIF | C20 H24 Br N O5 | P 21 21 21 | 6.723; 9.4873; 31.0788 90; 90; 90 | 1982.3 | Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies Organic Letters, 2002, 4, 4387 |
1507484 | CIF | C61 H45 S2 | P -1 | 11.2629; 14.534; 15.0164 108.378; 92.145; 101.385 | 2273.7 | Wong, Ken-Tsung; Wang, Chung-Feng; Chou, Chung Hsien; Su, Yuhlong Oliver; Lee, Gene-Hsiang; Peng, Shie-Ming Synthesis and properties of novel thiophene-based conjugated homologues: 9,9-diphenylfluorene-capped oligothiophenes. Organic letters, 2002, 4, 4439-4442 |
1507485 | CIF | C19 H27 N O4 S | C 1 2/c 1 | 17.4458; 14.1729; 16.0903 90; 100.892; 90 | 3906.8 | Lu, Cheng; Lu, Xiyan Tandem reactions to construct heterocycles via phosphine-catalyzed umpolung addition and intramolecular conjugate addition. Organic letters, 2002, 4, 4677-4679 |
1507486 | CIF | C30 H30 O4 S6 | C 1 2/c 1 | 23.493; 5.3111; 26.185 90; 115.918; 90 | 2938.6 | Kozaki, M.; Yonezawa, Y.; Okada, K. Cyclopentadithiophene (CPDT) dimer dication: bipolaron model for quaterthiophenes. Organic letters, 2002, 4, 4535-4538 |
1507487 | CIF | C44 H36 Cl10 Fe2 N4 O S6 | P 1 | 13.844; 13.846; 18.7 71.71; 71.68; 60.87 | 2916 | Kozaki, M.; Yonezawa, Y.; Okada, K. Cyclopentadithiophene (CPDT) dimer dication: bipolaron model for quaterthiophenes. Organic letters, 2002, 4, 4535-4538 |
1507488 | CIF | C19 H16 N2 | P -1 | 9.636; 10.1513; 14.2933 92.812; 91.68; 92.388 | 1394.56 | Nadipuram, Asha K.; David, Wendi M.; Kumar, Dalip; Kerwin, Sean M. Synthesis and thermolysis of heterocyclic 3-aza-3-ene-1,5-diynes(1). Organic letters, 2002, 4, 4543-4546 |
1507489 | CIF | C30 H35 N O12 | C 1 2 1 | 28.625; 6.7023; 17.446 90; 121.459; 90 | 2855.1 | Yang, Zhixiang; Shannon, Dean; Truong, Vouy-Linh; Deslongchamps, Pierre Studies directed toward asymmetric synthesis of cardioactive steroids via anionic polycyclization. Organic letters, 2002, 4, 4693-4696 |
1507490 | CIF | C48 H38 Cu N3 O3 P2 | P 1 21 1 | 10.0266; 19.7098; 10.6355 90; 103.203; 90 | 2046.25 | Bates, Craig G.; Saejueng, Pranorm; Murphy, Jaclyn M.; Venkataraman, D. Synthesis of 2-arylbenzo[b]furans via copper(I)-catalyzed coupling of o-iodophenols and aryl acetylenes. Organic letters, 2002, 4, 4727-4729 |
1507494 | CIF | C48 H60 O14 S4 | C 1 2/c 1 | 13.0945; 19.8439; 18.6198 90; 96.158; 90 | 4810.36 | Xu, Jianwei; Lai, Yee-Hing; He, Chaobin A Unique Spherical Molecular Host withD2dSymmetry. A Novel Intramolecular Kinetic Equilibrium in Metal Ion Complexation between Two Crown Ethers Organic Letters, 2002, 4, 3911 |
1507495 | CIF | C37 H42 | P -1 | 10.3419; 22.206; 12.4509 90.042; 114.478; 89.959 | 2602.4 | Nishinaga, Tohru; Inoue, Ryota; Matsuura, Akira; Komatsu, Koichi Radical Cation and Dication of Fluorene Fully Annelated with Bicyclo[2.2.2]octene Units: Importance of the Quinoidal Resonance Structure in the Cationic Fluorene Organic Letters, 2002, 4, 4117 |
1507496 | CIF | C39 H46 Cl10 Sb | P 21 21 21 | 10.5029; 19.6289; 20.4634 90; 90; 90 | 4218.7 | Nishinaga, Tohru; Inoue, Ryota; Matsuura, Akira; Komatsu, Koichi Radical Cation and Dication of Fluorene Fully Annelated with Bicyclo[2.2.2]octene Units: Importance of the Quinoidal Resonance Structure in the Cationic Fluorene Organic Letters, 2002, 4, 4117 |
1507497 | CIF | C9 H6 Cl Cr N O6 | P 1 21/n 1 | 9.289; 11.89; 12.035 90; 112.12; 90 | 1231 | Barluenga, José; Aznar, Fernando; Gutiérrez, Ignacio; García-Granda, Santiago; Llorca-Baragaño, M Amparo First intermolecular cyclopropanation of Fischer dialkylaminocarbene complexes. Synthesis of 1-aminocyclopropanecarboxylic acid derivatives. Organic letters, 2002, 4, 4273-4276 |
1507498 | CIF | C34 H28 I2 O3 | P 1 21/a 1 | 18.581; 7.4811; 22.069 90; 96.821; 90 | 3046 | Höger, Sigurd; Rosselli, Silvia; Ramminger, Anne-Désirée; Enkelmann, Volker A facile synthesis of large extraannular-functionalized phenyl-ethynyl macrocycles containing m-terphenyl units. Organic letters, 2002, 4, 4269-4272 |
1508163 | CIF | C168 H176 Cl F49 Fe5 N32 O18.5 P8 | P 1 21/c 1 | 23.444; 36.333; 29.094 90; 105.335; 90 | 23900 | Ayme, Jean-François; Beves, Jonathon E.; Leigh, David A.; McBurney, Roy T.; Rissanen, Kari; Schultz, David A synthetic molecular pentafoil knot. Nature chemistry, 2012, 4, 15-20 |
1508164 | CIF | C20 H30 O | P 21 21 21 | 9.8261; 11.6102; 14.6754 90; 90; 90 | 1674.21 | Mendoza, Abraham; Ishihara, Yoshihiro; Baran, Phil S. Scalable enantioselective total synthesis of taxanes. Nature chemistry, 2012, 4, 21-25 |
1508165 | CIF | C19 H28 O2 | P 1 21 1 | 7.7453; 10.3009; 9.7366 90; 94.175; 90 | 774.76 | Mendoza, Abraham; Ishihara, Yoshihiro; Baran, Phil S. Scalable enantioselective total synthesis of taxanes. Nature chemistry, 2012, 4, 21-25 |
1508166 | CIF | C120 H76 B2 F48 O4 Pd4 | C 1 2/c 1 | 28.2551; 19.2999; 21.1845 90; 97.2296; 90 | 11460.5 | Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks. Nature chemistry, 2012, 4, 52-58 |
1508167 | CIF | C60 H60 Cl8 F24 O4 P4 Pd4 | C 1 2/c 1 | 15.3692; 24.9813; 18.5227 90; 93.871; 90 | 7095.4 | Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks. Nature chemistry, 2012, 4, 52-58 |
1508168 | CIF | C63 H61 B4 F16 N3 O6 Pd4 | C 1 2/c 1 | 26.6501; 11.2467; 21.7172 90; 104.023; 90 | 6315.2 | Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks. Nature chemistry, 2012, 4, 52-58 |
1508169 | CIF | C62 H58 B2 F8 N2 O4 Pd4 | P 1 21/c 1 | 7.8918; 24.8188; 29.1008 90; 93.2773; 90 | 5690.5 | Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks. Nature chemistry, 2012, 4, 52-58 |
1508170 | CIF | C112.5 H116 Cl4 N14 O25.5 Zn2 | P 31 1 2 | 12.4175; 12.4175; 66.702 90; 90; 120 | 8907 | Howson, Suzanne E.; Bolhuis, Albert; Brabec, Viktor; Clarkson, Guy J.; Malina, Jaroslav; Rodger, Alison; Scott, Peter Optically pure, water-stable metallo-helical 'flexicate' assemblies with antibiotic activity. Nature chemistry, 2012, 4, 31-36 |
1508171 | CIF | C22 H26 F3 N O3 | P -1 | 10.305; 11.201; 11.779 63.547; 65.449; 66.927 | 1070.9 | Montavon, Timothy J.; Li, Jing; Cabrera-Pardo, Jaime R; Mrksich, Milan; Kozmin, Sergey A. Three-component reaction discovery enabled by mass spectrometry of self-assembled monolayers. Nature chemistry, 2012, 4, 45-51 |
1508172 | CIF | C146 H118 O11 | P -3 | 22.205; 22.205; 12.509 90; 90; 120 | 5341.4 | Kissel, Patrick; Erni, Rolf; Schweizer, W. Bernd; Rossell, Marta D.; King, Benjamin T.; Bauer, Thomas; Götzinger, Stephan; Schlüter, A Dieter; Sakamoto, Junji A two-dimensional polymer prepared by organic synthesis. Nature chemistry, 2012, 4, 287-291 |
1508173 | CIF | C144 H110 Cl2 O6 | P -1 | 12.5392; 21.844; 22.5292 61.234; 88.2978; 89.8086 | 5406.5 | Kissel, Patrick; Erni, Rolf; Schweizer, W. Bernd; Rossell, Marta D.; King, Benjamin T.; Bauer, Thomas; Götzinger, Stephan; Schlüter, A Dieter; Sakamoto, Junji A two-dimensional polymer prepared by organic synthesis. Nature chemistry, 2012, 4, 287-291 |
1508174 | CIF | C33 H35 F3 N2 O2 | P 1 21 1 | 7.995; 12.695; 14.1 90; 103.65; 90 | 1390.7 | Moerdyk, Jonathan P.; Bielawski, Christopher W. Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents. Nature chemistry, 2012, 4, 275-280 |
1508175 | CIF | C32 H40 N2 O6 | P 1 21/c 1 | 16.103; 10.495; 17.623 90; 101.349; 90 | 2920.1 | Moerdyk, Jonathan P.; Bielawski, Christopher W. Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents. Nature chemistry, 2012, 4, 275-280 |
1508176 | CIF | C38 H40 N2 O2 | P 1 21/n 1 | 10.823; 16.686; 34.964 90; 94.576; 90 | 6294.11 | Moerdyk, Jonathan P.; Bielawski, Christopher W. Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents. Nature chemistry, 2012, 4, 275-280 |
1508177 | CIF | C28 H30 N4 O2 | P 1 21/n 1 | 15.343; 10.755; 15.6115 90; 101.147; 90 | 2527.52 | Moerdyk, Jonathan P.; Bielawski, Christopher W. Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents. Nature chemistry, 2012, 4, 275-280 |
1508178 | CIF | C31 H38 N2 O2 | P -1 | 12.279; 12.381; 18.148 76.148; 82.469; 76.342 | 2594.85 | Moerdyk, Jonathan P.; Bielawski, Christopher W. Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents. Nature chemistry, 2012, 4, 275-280 |
1508179 | CIF | C28 H34 N2 O3 | P -1 | 8.1786; 10.2957; 14.8635 85.453; 81.396; 80.662 | 1219.1 | Moerdyk, Jonathan P.; Bielawski, Christopher W. Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents. Nature chemistry, 2012, 4, 275-280 |
1508181 | CIF | C31 H33 N3 O5 | P 1 21/c 1 | 15.9318; 14.2492; 24.1259 90; 93.8; 90 | 5464.9 | Moerdyk, Jonathan P.; Bielawski, Christopher W. Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents. Nature chemistry, 2012, 4, 275-280 |
1508183 | CIF | C42 H54 N4 O2 Si4 U | P -4 n 2 | 15.3164; 15.3164; 11.091 90; 90; 90 | 2601.86 | Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B. Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation. Nature chemistry, 2012, 4, 221-227 |
1508184 | CIF | C69 H82 N8 O4 Si2 U2 | P 1 21/c 1 | 16.2362; 18.1288; 26.4879 90; 101.144; 90 | 7649.5 | Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B. Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation. Nature chemistry, 2012, 4, 221-227 |
1508185 | CIF | C79 H83 N8 O4 Si2 U2 | P 1 21/n 1 | 15.465; 24.4171; 20.7529 90; 101.073; 90 | 7690.6 | Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B. Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation. Nature chemistry, 2012, 4, 221-227 |
1508186 | CIF | C65 H90 N8 O12 Si U3 | P -1 | 14.1406; 14.7186; 18.347 86.724; 77.931; 77.425 | 3644.3 | Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B. Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation. Nature chemistry, 2012, 4, 221-227 |
1508187 | CIF | C528 H408 F144 N72 O24 P24 Pd12 | I m -3 m | 39.346; 39.346; 39.346 90; 90; 90 | 60912 | Sun, Qing-Fu; Sato, Sota; Fujita, Makoto An M~18~L~24~ stellated cuboctahedron through post-stellation of an M~12~L~24~ core Nature Chemistry, 2012, 4, 330-333 |
1508188 | CIF | C552 H408 N90 O92 Pd18 | F 4 3 2 | 53.334; 53.334; 53.334 90; 90; 90 | 151709 | Sun, Qing-Fu; Sato, Sota; Fujita, Makoto An M~18~L~24~ stellated cuboctahedron through post-stellation of an M~12~L~24~ core Nature Chemistry, 2012, 4, 330-333 |
1508189 | CIF | C56 H90 Ge | C 1 2/c 1 | 32.638; 18.597; 16.904 90; 104.878; 90 | 9916 | Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei A stable germanone as the first isolated heavy ketone with a terminal oxygen atom. Nature chemistry, 2012, 4, 361-365 |
1508190 | CIF | C56 H90 Ge O | P 1 21/c 1 | 25.3767; 10.9823; 18.0763 90; 90.2057; 90 | 5037.73 | Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei A stable germanone as the first isolated heavy ketone with a terminal oxygen atom. Nature chemistry, 2012, 4, 361-365 |
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