Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1507753 | CIF | C19 H25 N O4 | C 1 c 1 | 13.2027; 17.3219; 7.9128 90; 105.257; 90 | 1745.85 | Fujino, Daishi; Yorimitsu, Hideki; Osuka, Atsuhiro Synthesis of 1,2-Disubstituted Cyclopentenes by Palladium-Catalyzed Reaction of Homopropargyl-Substituted Dicarbonyl Compounds with Organic Halides via 5-Endo-Dig Cyclization. Organic letters, 2012, 14, 2914-2917 |
| 1507754 | CIF | C18 H12 O2 | P 1 21/n 1 | 9.8113; 10.3682; 14.2027 90; 104.05; 90 | 1401.6 | Liu, Jiawang; Nguyen, Thong T.; Dupart, Patrick S.; Sridhar, Jayalakshmi; Zhang, Xiaoyi; Zhu, Naijue; Stevens, Cheryl L Klein; Foroozesh, Maryam 7-Ethynylcoumarins: Selective Inhibitors of Human Cytochrome P450s 1A1 and 1A2. Chemical research in toxicology, 2012, 25, 1047-1057 |
| 1507755 | CIF | Ba2 O13 Ti6 | C 1 2/m 1 | 15.004; 3.953; 9.085 90; 98.01; 90 | 533.582 | Schmachtel, J.; Mueller-Buschbaum, Hk. Ueber ein Bariumoxotitanat(III,IV) : Ba2 Ti6 O13 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1977, 435, 243-246 |
| 1507756 | CIF | Ba O3 Ti | P 4 m m | 3.9999; 3.9999; 4.017 90; 90; 90 | 64.269 | Natheer B. Mahmood; Emad K. Al-Shakarchi Three Techniques Used to Produce BaTiO3 Fine Powder Journal of Modern Physics, 2011, 2, 1420-1428 |
| 1507757 | CIF | Ba O3 Ti | P m -3 m | 4.0073; 4.0073; 4.0073 90; 90; 90 | 64.351 | Natheer B. Mahmood; Emad K. Al-Shakarchi Three Techniques Used to Produce BaTiO3 Fine Powder Journal of Modern Physics, 2011, 2, 1420-1428 |
| 1507758 | CIF | La2 O9 W2 | P -1 | 7.2489; 7.2878; 7.0435 96.367; 94.715; 70.286 | 347.729 | Laligant, Y; Le Bail, A; Goutenoire, F Ab Initio Structure Determination of Lanthanum Cyclo-tetratungstate alpha-La2W2O9 from X-ray and Neutron Powder Diffraction Journal of Solid State Chemistry, 2001, 159, 223-227 |
| 1507759 | CIF | F6 Mn Nb | R -3 :H | 5.385; 5.385; 14.399 90; 90; 120 | 361.6 | Bizot, D.; Chassaing, J.; Pannetier, J.; Leblanc, M.; Le Bail, A.; Ferey, G. Fluorocomplexes of niobium IV - Part V* the magnetic structure of MnNbF6 Solid State Communications, 1986, 58, 71-74 |
| 1507760 | CIF | Al56 Cu11 Li33 Zn11 | P 42/m m c | 14.05; 14.05; 83.14 90; 90; 90 | 16412 | Leblanc, M.; Le Bail, A.; Audier, M. Crystalline phases related to the icosahedral AI-Li-Cu Phase: a single-crystal X-ray diffraction study of the tetragonal t-Al56(Cu,Zn)11Li33 phase Physica B: Condensed Matter, 1991, 173, 329-355 |
| 1507761 | CIF | Al F4 K | P n m a | 8.3242; 7.2502; 11.8875 90; 90; 90 | 717.44 | Le Bail, A Ab initio structure determination of theta-KAlF4 with edge-sharing AlF6 octahedra Powder Diffraction, 2009, 24, 185-190 |
| 1507762 | CIF | F14 Ga3 Na5 | P 1 21/n 1 | 10.4052; 7.2251; 7.2689 90; 90.664; 90 | 546.429 | Le Bail, A; Mercier, A M Distorted chiolite crystal structures of alpha-Na5M3F14 (M=Cr,Fe,Ga) studied by X-ray powder diffraction Powder Diffraction, 2003, 18, 128-134 |
| 1507763 | CIF | Cr3 F14 Na5 | P 1 21/n 1 | 10.5096; 7.2253; 7.2713 90; 90.6753; 90 | 552.11 | Le Bail, A; Mercier, A M Distorted chiolite crystal structures of alpha-Na5M3F14 (M=Cr,Fe,Ga) studied by X-ray powder diffraction Powder Diffraction, 2003, 18, 128-134 |
| 1507764 | CIF | F14 Fe3 Na5 | P 1 21/n 1 | 10.4342; 7.3418; 7.4023 90; 90.799; 90 | 567 | Le Bail, A; Mercier, A M Distorted chiolite crystal structures of alpha-Na5M3F14 (M=Cr,Fe,Ga) studied by X-ray powder diffraction Powder Diffraction, 2003, 18, 128-134 |
| 1507765 | CIF | C6 H20 Al2 F10 N4 | P 1 2/c 1 | 8.528; 7.3938; 13.2368 90; 128.777; 90 | 650.67 | Adil, K; Le Bail, A; Dujardin, G; Maisonneuve, V A new 1D hybrid fluoroaluminate templated by an original tetramine Polyhedron, 2007, 26, 2493-2497 |
| 1507766 | CIF | C6 H20 Cl4 N4 | C 1 2/m 1 | 11.651; 8.159; 6.8473 90; 101.53; 90 | 637.8 | Adil, K; Le Bail, A; Dujardin, G; Maisonneuve, V A new 1D hybrid fluoroaluminate templated by an original tetramine Polyhedron, 2007, 26, 2493-2497 |
| 1507767 | CIF | Al F4 Na | C m c m | 3.6121; 14.952; 5.2692 90; 90; 90 | 284.58 | Le Bail, A Crystal structure of NaAlF4, a new aristotype Powder Diffraction, 2009, 24, 301-305 |
| 1507768 | CIF | Al3 F12 H4 K3 O2 | P n m a | 13.5135; 7.04327; 12.2253 90; 90; 90 | 1163.59 | Le Bail, A Thermodiffractometry and crystal structures of the hexagonal-tungsten-bronze-related K3Al3F12.nH2O (n=2,1) Powder Diffraction, 2009, 24, 292-300 |
| 1507769 | CIF | Al3 F12 H2 K3 O | P m m n :2 | 7.0523; 12.1005; 6.7057 90; 90; 90 | 572.24 | Le Bail, A Thermodiffractometry and crystal structures of the hexagonal-tungsten-bronze-related K3Al3F12.nH2O (n=2,1) Powder Diffraction, 2009, 24, 292-300 |
| 1507770 | CIF | F2.26 Fe0.26 Pb0.74 | C m m m | 5.99259; 5.57807; 11.5208 90; 90; 90 | 385.107 | Le Bail, A The anion-excess fluorite structure of beta-Pb1-xFexF2-x (0.25 < x < 0.27) Powder Diffraction, 2011, 26, 303-307 |
| 1507771 | CIF | C20 H39 Ag O2 | P -1 | 4.1519; 4.7055; 53.555 89.473; 87.617; 76.329 | 1015.8 | Stephens, P W; Kaduk, J A; Blanton, T N; Whitcomb, D R; Misture, S T; Rajeswraran, M Structure determination of the silver carboxylate dimer [Ag(O2C20H39)]2, silver arachidate, using powder X-ray diffraction methods Powder Diffraction, 2012, 27, 99-103 |
| 1507772 | CIF | Cr H22 Mg O15 | P -1 | 6.81133; 6.95839; 17.385 87.92; 89.48; 62.772 | 732.166 | Fortes, A D; Wood, I G X-ray powder diffraction analysis of a new magnesium chromate hydrate, MgCrO4.11H2O Powder Diffraction, 2012, 27, 8-11 |
| 1507773 | CIF | C7 H6 Al N O6 | P -1 | 6.7813; 7.4944; 8.5013 95.257; 102.478; 108.979 | 392.733 | Stahl, K; Brink, B; Andersen, J Structure determination of a novel metal-organic compound synthesized from aluminum and 2,5-pyridinedicarboxylic acid Powder Diffraction, 2011, S44-S46 |
| 1507774 | CIF | C22 H43 Ag O2 | P -1 | 4.1769; 4.7218; 58.3385 89.44; 89.634; 75.854 | 1115.63 | Blanton, T N; Rajeswraran, M; Stephens, P W; Whitcomb, D R; Misture, S T; Kaduk, J A Crystal structure determination of the silver carboxylate dimer [Ag(O2C22H43)]2, silver behenate, using powder X-ray diffraction methods Powder Diffraction, 2011, 26, 313-320 |
| 1507775 | CIF | Mo O11 P3 Pb2 | P 1 21/n 1 | 6.5454; 7.0643; 19.9697 90; 99.382; 90 | 911.02 | Leclaire, A; Raveau, B A Mo(III) lead phosphate with an intersecting tunnel structure: Pb2Mo(P2O7)(PO4) Materials Research Bulletin, 2006, 41, 967-972 |
| 1507776 | CIF | Nb4 O17 Sr5 Ti | P n n m | 5.6614; 32.515; 3.9525 90; 90; 90 | 727.58 | Drews, A R; Wong-Ng, W; Roth, R S; Vanderah, T A PREPARATION AND CRYSTAL STRUCTURE OF Sr5TiNb4O17 Materials Research Bulletin, 1996, 31, 153-163 |
| 1507777 | CIF | Bi3.33 O10 V2 | P -1 | 7.1135; 7.8442; 9.3719 106.09; 94.468; 112.506 | 454.12 | Kumada, N; Takei, T; Haramoto, R; Yonesaki, Y; Dong, Q; Kinomura, N; Nishimoto, S; Kameshima, Y; Miyake, M Preparation and crystal structure of a new bismuth vanadate, Bi3.33(VO4)2O2 Materials Research Bulletin, 2011, 46, 962-965 |
| 1507778 | CIF | C20 H100 N10 O88 P2 W22 Zr | P 1 21 1 | 12.25; 20.527; 20.938 90; 90.43; 90 | 5264.8 | Cai, L; Li, Y; Yu, C; Ji, H; Liu, Y; Liu, S Spontaneous resolution of a chiral polyoxometalate: Synthesis, crystal structures and properties Inorganica Chimica Acta, 2009, 362, 2895-2899 |
| 1507779 | CIF | C20 H100 N10 O88 P2 W22 Zr | P 1 21 1 | 12.2742; 20.5699; 20.9526 90; 90.436; 90 | 5289.9 | Cai, L; Li, Y; Yu, C; Ji, H; Liu, Y; Liu, S Spontaneous resolution of a chiral polyoxometalate: Synthesis, crystal structures and properties Inorganica Chimica Acta, 2009, 362, 2895-2899 |
| 1507780 | CIF | C7 H20 Cl2 N4 Ni O8 | P 1 21/n 1 | 9.9355; 14.1122; 10.963 90; 90.55; 90 | 1537.1 | Hatzipanayioti, D; Veneris, A; Parsons, S Synthesis and spectroscopic investigation of new nickel(II) complexes with the open chain asymmetric tetraamine 1,4,7,11-tetraazaundecane: Crystal structure of the square-planar complex Inorganica Chimica Acta, 2007, 360, 2857-2861 |
| 1507781 | CIF | C46 H42 Cu2 N4 O5 | P 1 21/c 1 | 16.4414; 9.8667; 24.3148 90; 90.674; 90 | 3944.1 | Selvakumar, P M; Nadella, N; Prathap, K J; Kureshy, R I; Suresh, E; Subramanian, P S Synthesis, Crystal Structure and Catalytic studies on Dinuclear Cu(II)-Mesocates Inorganica Chimica Acta, 2011, 375, 106-113 |
| 1507782 | CIF | C44 H32 Cl4 Cu2 N4 O4 | P b c n | 12.891; 13.324; 23.68 90; 90; 90 | 4067 | Selvakumar, P M; Nadella, N; Prathap, K J; Kureshy, R I; Suresh, E; Subramanian, P S Synthesis, Crystal Structure and Catalytic studies on Dinuclear Cu(II)-Mesocates Inorganica Chimica Acta, 2011, 375, 106-113 |
| 1507783 | CIF | C50 H46 Mo2 O12 P2 Si | P -1 | 13.395; 13.474; 15.877 76.99; 77.8; 61.03 | 2425 | Salles, L; Piquemal, J Y; Mahha, Y; Gentil,M; Herson, P; Bregeault, M Crystal structures of three novel dioxotetraperoxodi(molybdenum) heteropolyanions in [PPh4]2[R2SiO2{Mo2O2(mu-O2)2(O2)2}] (R2 = (CH3)2, (i-C4H9)2 or (CH3)(CH2Cl)) and characterization of their tungsten analogues Polyhedron, 2007, 26, 4786-4792 |
| 1507784 | CIF | C56 H58 Mo2 O12 P2 Si | P -1 | 10.646; 11.086; 24.237 100.81; 96.56; 101.36 | 2720.5 | Salles, L; Piquemal, J Y; Mahha, Y; Gentil, M; Herson, P; Bregeault, M Crystal structures of three novel dioxotetraperoxodi(molybdenum) heteropolyanions in [PPh4]2[R2SiO2{Mo2O2(mu-O2)2(O2)2}] (R2 = (CH3)2, (i-C4H9)2 or (CH3)(CH2Cl)) and characterization of their tungsten analogues Polyhedron, 2007, 26, 4786-4792 |
| 1507785 | CIF | C50 H45 Cl Mo2 O12 P2 Si | P -1 | 13.467; 13.548; 15.931 76.03; 79.39; 61.18 | 2463.4 | Salles, L; Piquemal, J Y; Mahha, Y; Gentil, M; Herson, P; Bregeault, M Crystal structures of three novel dioxotetraperoxodi(molybdenum) heteropolyanions in [PPh4]2[R2SiO2{Mo2O2(mu-O2)2(O2)2}] (R2 = (CH3)2, (i-C4H9)2 or (CH3)(CH2Cl)) and characterization of their tungsten analogues Polyhedron, 2007, 26, 4786-4792 |
| 1507786 | CIF | C48 H54 Cl4 Mn2 N4 O18 | P -1 | 12.5248; 19.3128; 23.8828 81.046; 75.573; 78.114 | 5441.6 | Corbella, M; Gomez, V; Garcia, B; Rodriguez, E; Albela, B; Maestro, M A Synthesis, crystal structure and magnetic properties of new dinuclear Mn(III) compounds with 4-ClC6H4COO and 4-BrC6H4COO bridges Inorganica Chimica Acta, 2011, 376, 456-462 |
| 1507787 | CIF | C36.67 H31 Br2 Cl2 Mn2 N4.33 O14 | R -3 :H | 25.4824; 25.4824; 35.0425 90; 90; 120 | 19706.4 | Corbella, M; Gomez, V; Garcia, B; Rodriguez, E; Albela, B; Maestro, M A Synthesis, crystal structure and magnetic properties of new dinuclear Mn(III) compounds with 4-ClC6H4COO and 4-BrC6H4COO bridges Inorganica Chimica Acta, 2011, 376, 456-462 |
| 1507788 | CIF | C10 H15 N3 O5 Pt | P c a 21 | 9.4898; 15.218; 8.9436 90; 90; 90 | 1291.6 | Wilson, Justin J.; Lippard, Stephen J. In Vitro Anticancer Activity of cis-Diammineplatinum(II) Complexes with β-Diketonate Leaving Group Ligands. Journal of medicinal chemistry, 2012, 55, 5326-5336 |
| 1507789 | CIF | C10 H12 F3 N3 O5 Pt | P 1 21/c 1 | 18.336; 7.1871; 10.8106 90; 100.556; 90 | 1400.5 | Wilson, Justin J.; Lippard, Stephen J. In Vitro Anticancer Activity of cis-Diammineplatinum(II) Complexes with β-Diketonate Leaving Group Ligands. Journal of medicinal chemistry, 2012, 55, 5326-5336 |
| 1507790 | CIF | C26 H26 O8 | P -1 | 9.3227; 10.6215; 13.2099 76.492; 69.406; 78.765 | 1181.44 | Zhou, Hui; Maris, Thierry; Wuest, James D. Using Systematic Comparisons of 2D and 3D Structures To Reveal Principles of Molecular Organization. Tetraesters of Linear Bisisophthalic Acids The Journal of Physical Chemistry C, 2012, 116, 13052 |
| 1507791 | CIF | C34 H30 O8 | P -1 | 9.0092; 9.5914; 10.1026 70.319; 66.113; 65.792 | 712.59 | Zhou, Hui; Maris, Thierry; Wuest, James D. Using Systematic Comparisons of 2D and 3D Structures To Reveal Principles of Molecular Organization. Tetraesters of Linear Bisisophthalic Acids The Journal of Physical Chemistry C, 2012, 116, 13052 |
| 1507792 | CIF | C41 H35 Cl3 O8 | P 1 21 1 | 10.2725; 15.2009; 23.731 90; 95.896; 90 | 3686.02 | Zhou, Hui; Maris, Thierry; Wuest, James D. Using Systematic Comparisons of 2D and 3D Structures To Reveal Principles of Molecular Organization. Tetraesters of Linear Bisisophthalic Acids The Journal of Physical Chemistry C, 2012, 116, 13052 |
| 1507793 | CIF | C44 H36 Cl6 O8 | P -1 | 9.0194; 10.271; 13.3188 67.405; 73.348; 64.216 | 1015.07 | Zhou, Hui; Maris, Thierry; Wuest, James D. Using Systematic Comparisons of 2D and 3D Structures To Reveal Principles of Molecular Organization. Tetraesters of Linear Bisisophthalic Acids The Journal of Physical Chemistry C, 2012, 116, 13052 |
| 1507794 | CIF | C16 H18 S4 Si | C 1 2/c 1 | 12.2489; 9.598; 31.693 90; 96.914; 90 | 3698.9 | Yzambart, Gilles; Fabre, Bruno; Camerel, Franck; Roisnel, Thierry; Lorcy, Dominique Controlled Grafting of Tetrathiafulvalene (TTF) Containing Diacetylenic Units on Hydrogen-Terminated Silicon Surfaces: From Redox-Active TTF Monolayer to Polymer Films The Journal of Physical Chemistry C, 2012, 116, 12093 |
| 1507795 | CIF | C13 H10 S4 | P 1 21/n 1 | 7.514; 7.9218; 22.6337 90; 93.267; 90 | 1345.1 | Yzambart, Gilles; Fabre, Bruno; Camerel, Franck; Roisnel, Thierry; Lorcy, Dominique Controlled Grafting of Tetrathiafulvalene (TTF) Containing Diacetylenic Units on Hydrogen-Terminated Silicon Surfaces: From Redox-Active TTF Monolayer to Polymer Films The Journal of Physical Chemistry C, 2012, 116, 12093 |
| 1507796 | CIF | C24 H12 N12 O25 Zn6 | P a -3 | 20.123; 20.123; 20.123 90; 90; 90 | 8148.5 | Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M. Hydrogen Storage in New Metal‒Organic Frameworks The Journal of Physical Chemistry C, 2012, 116, 13143 |
| 1507797 | CIF | C24 H12 Cu9 N12 O23 | F m -3 m | 42.606; 42.606; 42.606 90; 90; 90 | 77341 | Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M. Hydrogen Storage in New Metal‒Organic Frameworks The Journal of Physical Chemistry C, 2012, 116, 13143 |
| 1507798 | CIF | C48 H72 B6 N12 O13 Zn4 | F m -3 m | 33.41; 33.41; 33.41 90; 90; 90 | 37293 | Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M. Hydrogen Storage in New Metal‒Organic Frameworks The Journal of Physical Chemistry C, 2012, 116, 13143 |
| 1507799 | CIF | C48 H24 O13 Zn4 | P 42/n c m :2 | 19.7213; 19.7213; 39.411 90; 90; 90 | 15328.1 | Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M. Hydrogen Storage in New Metal‒Organic Frameworks The Journal of Physical Chemistry C, 2012, 116, 13143 |
| 1507800 | CIF | C54 H24 O13 Zn4 | P 32 1 2 | 31.114; 31.114; 39.28 90; 90; 120 | 32932 | Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M. Hydrogen Storage in New Metal‒Organic Frameworks The Journal of Physical Chemistry C, 2012, 116, 13143 |
| 1507801 | CIF | C49 H37 N2 O5 | P -1 | 10.4825; 12.3742; 16.3558 83.7391; 86.7693; 68.5231 | 1962.16 | Cheriya, Rijo T.; Joy, Jimmy; Alex, Andrews P.; Shaji, Anil; Hariharan, Mahesh Energy Transfer in Near-Orthogonally Arranged Chromophores Separated through a Single Bond The Journal of Physical Chemistry C, 2012, 116, 12489 |
| 1507802 | CIF | C25 H37 N O5 | P 41 | 14.3257; 14.3257; 11.4299 90; 90; 90 | 2345.71 | Cao, Mingming; Zhang, Yu; He, Hongping; Li, Shifei; Huang, Shengdian; Chen, Duozhi; Tang, Guihua; Li, Shunlin; Di, Yingtong; Hao, Xiaojiang Daphmacromines A-J, Alkaloids from Daphniphyllum macropodum. Journal of natural products, 2012, 75, 1076-1082 |
| 1507803 | CIF | C23 H16 Cl2 O6 | P -1 | 8.8157; 10.5756; 12.1409 70.485; 73.325; 86.945 | 1020.89 | Podlesny, Erin E.; Kozlowski, Marisa C. Structural reassignment of a marine metabolite from a binaphthalenetetrol to a tetrabrominated diphenyl ether. Journal of natural products, 2012, 75, 1125-1129 |
| 1507804 | CIF | C49 H69 N7 O10 | P 1 21 1 | 12.49951; 13.38735; 14.86156 90; 99.9697; 90 | 2449.31 | Chen, Ziming; Song, Yongxiang; Chen, Yuchan; Huang, Hongbo; Zhang, Weimin; Ju, Jianhua Cyclic Heptapeptides, Cordyheptapeptides C-E, from the Marine-Derived Fungus Acremonium persicinum SCSIO 115 and Their Cytotoxic Activities. Journal of natural products, 2012, 75, 1215-1219 |
| 1507805 | CIF | C17 H24 O4 | P 21 21 21 | 4.632; 11.982; 29.48 90; 90; 90 | 1636.2 | Cimmino, Alessio; Andolfi, Anna; Zonno, Maria C.; Troise, Ciro; Santini, Antonello; Tuzi, Angela; Vurro, Maurizio; Ash, Gavin; Evidente, Antonio Phomentrioloxin: A Phytotoxic Pentasubstituted Geranylcyclohexentriol Produced by Phomopsis sp., a Potential Mycoherbicide for Carthamus lanatus Biocontrol. Journal of natural products, 2012, 75, 1130-1137 |
| 1507806 | CIF | C32 H52 O5 | P 1 21 1 | 14.374; 7.464; 15.053 90; 116.024; 90 | 1451.3 | Xiong, Liang; Zhu, Mei; Zhu, Chenggeng; Lin, Sheng; Yang, Yongchun; Shi, Jiangong Structure and Bioassay of Triterpenoids and Steroids Isolated from Sinocalamus affinis. Journal of natural products, 2012, 75, 1160-1166 |
| 1507807 | CIF | C17 H12 N2 O3 | P c a b | 11.145; 14.533; 16.506 90; 90; 90 | 2673.5 | Chen, Minghua; Gan, Lishe; Lin, Sheng; Wang, Xiaoliang; Li, Li; Li, Yuhuan; Zhu, Chenggen; Wang, Yanan; Jiang, Bingya; Jiang, Jiandong; Yang, Yongchun; Shi, Jiangong Alkaloids from the Root of Isatis indigotica. Journal of natural products, 2012, 75, 1167-1176 |
| 1507808 | CIF | C10 H8 N2 O3 | P 21 21 21 | 7.031; 7.138; 17.97 90; 90; 90 | 901.9 | Chen, Minghua; Gan, Lishe; Lin, Sheng; Wang, Xiaoliang; Li, Li; Li, Yuhuan; Zhu, Chenggen; Wang, Yanan; Jiang, Bingya; Jiang, Jiandong; Yang, Yongchun; Shi, Jiangong Alkaloids from the Root of Isatis indigotica. Journal of natural products, 2012, 75, 1167-1176 |
| 1507809 | CIF | C28 H24 O8 | P 1 21 1 | 10.6034; 6.2661; 18.0594 90; 107.232; 90 | 1146.04 | Awale, Suresh; Ueda, Jun-Ya; Athikomkulchai, Sirivan; Abdelhamed, Sherif; Yokoyama, Satoru; Saiki, Ikuo; Miyatake, Ryuta Antiausterity Agents from Uvaria dac and Their Preferential Cytotoxic Activity against Human Pancreatic Cancer Cell Lines in a Nutrient-Deprived Condition. Journal of natural products, 2012, 75, 1177-1183 |
| 1507810 | CIF | C38 H34 N2 | P 1 21 1 | 15.001; 13.206; 15.517 90; 102.3; 90 | 3003.4 | Periasamy, Mariappan; Sanjeevakumar, Nalluri; Dalai, Manasi; Gurubrahamam, Ramani; Reddy, Polimera Obula Highly enantioselective synthesis of chiral allenes by sequential creation of stereogenic center and chirality transfer in a single pot operation. Organic letters, 2012, 14, 2932-2935 |
| 1507811 | CIF | C54 H62 Cl6 N4 O4 S2 | P -1 | 5.884; 14.26; 17.526 70.967; 82.158; 86.783 | 1377 | Chang, Jingjing; Ye, Qun; Huang, Kuo-Wei; Zhang, Jie; Chen, Zhi-Kuan; Wu, Jishan; Chi, Chunyan Stepwise cyanation of naphthalene diimide for n-channel field-effect transistors. Organic letters, 2012, 14, 2964-2967 |
| 1507812 | CIF | C21 H26 F N O2 S | P 1 21 1 | 8.1417; 14.59; 17.092 90; 102.781; 90 | 1980 | Sakakura, Akira; Yamada, Hiroki; Ishihara, Kazuaki Enantioselective Diels-Alder reaction of α-(acylthio)acroleins: a new entry to sulfur-containing chiral quaternary carbons. Organic letters, 2012, 14, 2972-2975 |
| 1507813 | CIF | C17 H15 Cl O4 | P -1 | 4.7913; 9.2022; 17.0967 102.353; 95.337; 95.155 | 728.48 | Trosien, Simon; Waldvogel, Siegfried R. Synthesis of highly functionalized 9,10-phenanthrenequinones by oxidative coupling using MoCl5. Organic letters, 2012, 14, 2976-2979 |
| 1507814 | CIF | C18 H16 O5 | P 1 2/c 1 | 24.3452; 8.79; 13.733 90; 103.263; 90 | 2860.4 | Trosien, Simon; Waldvogel, Siegfried R. Synthesis of highly functionalized 9,10-phenanthrenequinones by oxidative coupling using MoCl5. Organic letters, 2012, 14, 2976-2979 |
| 1507815 | CIF | C17 H13 I O5 | P 1 21/c 1 | 16.947; 3.9892; 21.7053 90; 91.504; 90 | 1466.9 | Trosien, Simon; Waldvogel, Siegfried R. Synthesis of highly functionalized 9,10-phenanthrenequinones by oxidative coupling using MoCl5. Organic letters, 2012, 14, 2976-2979 |
| 1507816 | CIF | C30 H20 N4 | P 1 21/c 1 | 21.578; 3.9054; 13.11 90; 98.337; 90 | 1093.1 | Mandal, Amal Kumar; Suresh, Moorthy; Das, Priyadip; Suresh, E.; Baidya, Mithu; Ghosh, Sudip K.; Das, Amitava Recognition of Hg2+ ion through restricted imine isomerization: crystallographic evidence and imaging in live cells. Organic letters, 2012, 14, 2980-2983 |
| 1507817 | CIF | C32 H22 Cl6 Hg2 I4 N4 | P -1 | 8.7014; 9.8508; 14.078 76.845; 75.545; 65.076 | 1049.3 | Mandal, Amal Kumar; Suresh, Moorthy; Das, Priyadip; Suresh, E.; Baidya, Mithu; Ghosh, Sudip K.; Das, Amitava Recognition of Hg2+ ion through restricted imine isomerization: crystallographic evidence and imaging in live cells. Organic letters, 2012, 14, 2980-2983 |
| 1507818 | CIF | C22 H16 Hg2 I4 N4 | C 1 2/c 1 | 18.516; 12.5559; 15.301 90; 127.05; 90 | 2839.1 | Mandal, Amal Kumar; Suresh, Moorthy; Das, Priyadip; Suresh, E.; Baidya, Mithu; Ghosh, Sudip K.; Das, Amitava Recognition of Hg2+ ion through restricted imine isomerization: crystallographic evidence and imaging in live cells. Organic letters, 2012, 14, 2980-2983 |
| 1507819 | CIF | C34.5 H24.5 Cl1.5 N2 O2 | P 21 21 21 | 11.148; 18.6856; 26.1462 90; 90; 90 | 5446.44 | Takaishi, Kazuto; Kawamoto, Masuki; Muranaka, Atsuya; Uchiyama, Masanobu Fusion of photochromic reaction and synthetic reaction: photoassisted cyclization to highly strained chiral azobenzenophanes. Organic letters, 2012, 14, 3252-3255 |
| 1507820 | CIF | C8 H3 I O4 | P 1 21/c 1 | 13.447; 8.1328; 6.7939 90; 98.88; 90 | 734.1 | Tian, Jun; Gao, Wen-Chao; Zhou, Dong-Mei; Zhang, Chi Recyclable hypervalent iodine(III) reagent iodosodilactone as an efficient coupling reagent for direct esterification, amidation, and peptide coupling. Organic letters, 2012, 14, 3020-3023 |
| 1507821 | CIF | C19 H23 Br Cl N O Ru | P 1 21/c 1 | 11.9632; 9.4235; 17.273 90; 97.487; 90 | 1930.7 | Chinnagolla, Ravi Kiran; Pimparkar, Sandeep; Jeganmohan, Masilamani Ruthenium-catalyzed highly regioselective cyclization of ketoximes with alkynes by C-H bond activation: a practical route to synthesize substituted isoquinolines. Organic letters, 2012, 14, 3032-3035 |
| 1507822 | CIF | C20 H24 Br N O2 | P 1 21 1 | 10.237; 7.803; 11.166 90; 95.959; 90 | 887.1 | Cai, Quan; You, Shu-Li Organocatalyzed enantioselective formal [4 + 2] cycloaddition of 2,3-disubstituted indole and methyl vinyl ketone. Organic letters, 2012, 14, 3040-3043 |
| 1507823 | CIF | C36 H34 S9 | P -1 | 11.315; 18.86; 20.017 118.11; 94.13; 90 | 3755.2 | Miyasaka, Makoto; Pink, Maren; Olankitwanit, Arnon; Rajca, Suchada; Rajca, Andrzej Band gap of carbon-sulfur [N]helicenes. Organic letters, 2012, 14, 3076-3079 |
| 1507824 | CIF | C17 H25 N O5 S | P 1 21 1 | 9.5206; 10.0215; 10.2741 90; 101.89; 90 | 959.23 | Yang, Cui-Feng; Shen, Chen; Wang, Jian-Yong; Tian, Shi-Kai A highly diastereoselective decarboxylative mannich reaction of β-keto acids with optically active N-sulfinyl α-imino esters. Organic letters, 2012, 14, 3092-3095 |
| 1507825 | CIF | C12 H13 N O4 | P 1 21 1 | 10.1645; 8.605; 11.9296 90; 96.541; 90 | 1036.64 | Zhao, Bing-Xin; Wang, Ying; Zhang, Dong-Mei; Huang, Xiao-Jun; Bai, Liang-Liang; Yan, Yan; Chen, Jia-Mei; Lu, Tong-Bu; Wang, Yi-Tao; Zhang, Qing-Wen; Ye, Wen-Cai Virosaines A and B, two new birdcage-shaped Securinega alkaloids with an unprecedented skeleton from Flueggea virosa. Organic letters, 2012, 14, 3096-3099 |
| 1507826 | CIF | C69.5 H10 O3 S | P 1 21 1 | 10.2075; 30.954; 11.965 90; 107.043; 90 | 3614.5 | Hashiguchi, Masahiko; Obata, Naoki; Maruyama, Masashi; Yeo, Kee Sheng; Ueno, Takao; Ikebe, Tomohiko; Takahashi, Isao; Matsuo, Yutaka FeCl3-mediated synthesis of fullerenyl esters as low-LUMO acceptors for organic photovoltaic devices. Organic letters, 2012, 14, 3276-3279 |
| 1507827 | CIF | C77 H14 O4 S2 | P 1 21/n 1 | 9.898; 15.7352; 27.3241 90; 98.3298; 90 | 4210.8 | Hashiguchi, Masahiko; Obata, Naoki; Maruyama, Masashi; Yeo, Kee Sheng; Ueno, Takao; Ikebe, Tomohiko; Takahashi, Isao; Matsuo, Yutaka FeCl3-mediated synthesis of fullerenyl esters as low-LUMO acceptors for organic photovoltaic devices. Organic letters, 2012, 14, 3276-3279 |
| 1507828 | CIF | C72 H18 O3 Si | P 1 21/c 1 | 16.0566; 14.0283; 18.1004 90; 104.993; 90 | 3938.26 | Hashiguchi, Masahiko; Obata, Naoki; Maruyama, Masashi; Yeo, Kee Sheng; Ueno, Takao; Ikebe, Tomohiko; Takahashi, Isao; Matsuo, Yutaka FeCl3-mediated synthesis of fullerenyl esters as low-LUMO acceptors for organic photovoltaic devices. Organic letters, 2012, 14, 3276-3279 |
| 1507829 | CIF | C13 H14 Br N O6 | P 1 21/c 1 | 4.361; 20.93; 16.962 90; 95.511; 90 | 1541 | Liu, Zhong-Quan; Zhao, Lixing; Shang, Xiaojie; Cui, Zili Unexpected copper-catalyzed aerobic oxidative cleavage of C(sp3)-C(sp3) bond of glycol ethers. Organic letters, 2012, 14, 3218-3221 |
| 1507830 | CIF | C24 H18 Br N O3 S | P -1 | 9.3553; 9.9268; 11.9942 86.655; 81.665; 77.005 | 1073.51 | Cheng, Dong; Ling, Fei; Li, Zexiang; Yao, Weijun; Ma, Cheng Three-component assembly of conjugated enyne scaffolds via E-selective olefination of ynals. Organic letters, 2012, 14, 3146-3149 |
| 1507831 | CIF | C30 H50 N4 O5 | P 1 21/n 1 | 10.433; 21.21; 14.956 90; 97.964; 90 | 3278 | Dalapati, Sasanka; Jana, Sankar; Saha, Rajat; Alam, Md Akhtarul; Guchhait, Nikhil Reusable amine-based structural motifs for green house gas (CO2) fixation. Organic letters, 2012, 14, 3244-3247 |
| 1507832 | CIF | C29 H49 N5 O5 | P -1 | 10.034; 13.027; 14.264 116.27; 104.228; 97.627 | 1556.8 | Dalapati, Sasanka; Jana, Sankar; Saha, Rajat; Alam, Md Akhtarul; Guchhait, Nikhil Reusable amine-based structural motifs for green house gas (CO2) fixation. Organic letters, 2012, 14, 3244-3247 |
| 1507833 | CIF | C31 H50 N6 O5 | P -1 | 10.213; 12.195; 14.857 112.128; 108.309; 90.296 | 1611.2 | Dalapati, Sasanka; Jana, Sankar; Saha, Rajat; Alam, Md Akhtarul; Guchhait, Nikhil Reusable amine-based structural motifs for green house gas (CO2) fixation. Organic letters, 2012, 14, 3244-3247 |
| 1507834 | CIF | C66 H54 | P 1 21/c 1 | 15.8912; 8.1477; 21.033 90; 108.855; 90 | 2577.2 | Kayahara, Eiichi; Sakamoto, Yoichi; Suzuki, Toshiyasu; Yamago, Shigeru Selective synthesis and crystal structure of [10]cycloparaphenylene. Organic letters, 2012, 14, 3284-3287 |
| 1507835 | CIF | C19 H17 Br N2 O3 | P 1 21 1 | 10.975; 20.829; 11.516 90; 97.85; 90 | 2607.9 | Liu, Zhaoqun; Feng, Xiangqing; Du, Haifeng Rhodium-catalyzed asymmetric formal cycloadditions of racemic butadiene monoxide with imines. Organic letters, 2012, 14, 3154-3157 |
| 1507836 | CIF | C23.29 H23.58 N O2 | P -1 | 8.046; 11.013; 11.157 91.39; 101.802; 106.531 | 924.1 | He, Long; Bekkaye, Mathieu; Retailleau, Pascal; Masson, Géraldine Chiral phosphoric acid catalyzed inverse-electron-demand aza-Diels-Alder reaction of isoeugenol derivatives. Organic letters, 2012, 14, 3158-3161 |
| 1507837 | CIF | C17 H20 F6 N3 P | C 1 2/c 1 | 24.3719; 10.2345; 14.8466 90; 99.345; 90 | 3654.1 | Hutt, Johnathon T.; Jo, Junyong; Olasz, András; Chen, Chun-Hsing; Lee, Dongwhan; Aron, Zachary D. Fluorescence switching of imidazo[1,5-a]pyridinium ions: pH-sensors with dual emission pathways. Organic letters, 2012, 14, 3162-3165 |
| 1507838 | CIF | C30 H26 Br N3 O4 S | P 1 21 1 | 8.2684; 15.0353; 11.4331 90; 103.699; 90 | 1380.9 | Nakamura, Shuichi; Maeno, Yuri; Ohara, Mutsuyo; Yamamura, Akiko; Funahashi, Yasuhiro; Shibata, Norio Enantioselective synthesis of imidazolines with quaternary stereocenters by organocatalytic reaction of N-(heteroarenesulfonyl)imines with isocyanoacetates. Organic letters, 2012, 14, 2960-2963 |
| 1507839 | CIF | C12 H25 N2 O7 P | P 1 21 1 | 7.5051; 12.37; 9.944 90; 99.383; 90 | 910.8 | Tripathi, Chandra Bhushan; Kayal, Satavisha; Mukherjee, Santanu Catalytic asymmetric synthesis of α,β-disubstituted α,γ-diaminophosphonic acid precursors by Michael addition of α-substituted nitrophosphonates to nitroolefins. Organic letters, 2012, 14, 3296-3299 |
| 1507840 | CIF | C12 H13 I O5 | P 1 21/n 1 | 8.5395; 7.7736; 19.64 90; 90.848; 90 | 1303.61 | Zhu, Chenjie; Yoshimura, Akira; Ji, Lei; Wei, Yunyang; Nemykin, Victor N.; Zhdankin, Viktor V. Design, preparation, X-ray crystal structure, and reactivity of o-alkoxyphenyliodonium bis(methoxycarbonyl)methanide, a highly soluble carbene precursor. Organic letters, 2012, 14, 3170-3173 |
| 1507841 | CIF | C23 H21 O4 P | P -1 | 9.3953; 10.2384; 10.6318 95.355; 92.172; 109.933 | 954.58 | Zhu, Chenjie; Yoshimura, Akira; Ji, Lei; Wei, Yunyang; Nemykin, Victor N.; Zhdankin, Viktor V. Design, preparation, X-ray crystal structure, and reactivity of o-alkoxyphenyliodonium bis(methoxycarbonyl)methanide, a highly soluble carbene precursor. Organic letters, 2012, 14, 3170-3173 |
| 1507842 | CIF | C17 H14 O4 S | P 1 21/c 1 | 5.5663; 17.8925; 16.0834 90; 90.338; 90 | 1601.8 | Zhu, Chenjie; Yoshimura, Akira; Ji, Lei; Wei, Yunyang; Nemykin, Victor N.; Zhdankin, Viktor V. Design, preparation, X-ray crystal structure, and reactivity of o-alkoxyphenyliodonium bis(methoxycarbonyl)methanide, a highly soluble carbene precursor. Organic letters, 2012, 14, 3170-3173 |
| 1507843 | CIF | C18 H16 Br N O4 | P 1 21 1 | 9.5624; 8.3375; 10.6822 90; 93.6; 90 | 849.97 | Guang, Jie; Guo, Qunsheng; Zhao, John Cong-Gui Acetylphosphonate as a surrogate of acetate or acetamide in organocatalyzed enantioselective aldol reactions. Organic letters, 2012, 14, 3174-3177 |
| 1507844 | CIF | C31 H27 N O4 | P 1 21/n 1 | 10.1912; 15.9298; 14.5217 90; 92.185; 90 | 2355.8 | Guang, Jie; Guo, Qunsheng; Zhao, John Cong-Gui Acetylphosphonate as a surrogate of acetate or acetamide in organocatalyzed enantioselective aldol reactions. Organic letters, 2012, 14, 3174-3177 |
| 1507845 | CIF | C22 H21 Br N O3 | P 1 21 1 | 13.467; 5.711; 13.534 90; 113.897; 90 | 951.7 | Sakamoto, Tsubasa; Mori, Keiji; Akiyama, Takahiko Chiral phosphoric acid catalyzed enantioselective transfer deuteration of ketimines by use of benzothiazoline as a deuterium donor: synthesis of optically active deuterated amines. Organic letters, 2012, 14, 3312-3315 |
| 1507846 | CIF | C32 H32 O16 | C 1 2/c 1 | 28.067; 10.0691; 26.044 90; 111.161; 90 | 6864 | Li, Erwei; Zhang, Fan; Niu, Shubin; Liu, Xingzhong; Liu, Gang; Che, Yongsheng A spiro[chroman-3,7'-isochromene]-4,6'(8'H)-dione from the Cordyceps-colonizing fungus Fimetariella sp. Organic letters, 2012, 14, 3320-3323 |
| 1507847 | CIF | C16 H12 O3 | P 1 21/c 1 | 11.242; 8.824; 13.102 90; 111.394; 90 | 1210.2 | Parnes, Regev; Kshirsagar, Umesh A.; Werbeloff, Aviya; Regev, Clil; Pappo, Doron Ligand-controlled iron-catalyzed coupling of α-substituted β-ketoesters with phenols. Organic letters, 2012, 14, 3324-3327 |
| 1507848 | CIF | C17 H15 Br O4 | P c a 21 | 10.86; 17.451; 8.049 90; 90; 90 | 1525.4 | Parnes, Regev; Kshirsagar, Umesh A.; Werbeloff, Aviya; Regev, Clil; Pappo, Doron Ligand-controlled iron-catalyzed coupling of α-substituted β-ketoesters with phenols. Organic letters, 2012, 14, 3324-3327 |
| 1507849 | CIF | C20 H12 O3 | C 1 2/c 1 | 28.802; 6.2913; 20.598 90; 129.118; 90 | 2895.8 | Parnes, Regev; Kshirsagar, Umesh A.; Werbeloff, Aviya; Regev, Clil; Pappo, Doron Ligand-controlled iron-catalyzed coupling of α-substituted β-ketoesters with phenols. Organic letters, 2012, 14, 3324-3327 |
| 1507850 | CIF | C26 H32 O4 | P 21 21 21 | 9.706; 10.487; 21.638 90; 90; 90 | 2202.5 | Parnes, Regev; Kshirsagar, Umesh A.; Werbeloff, Aviya; Regev, Clil; Pappo, Doron Ligand-controlled iron-catalyzed coupling of α-substituted β-ketoesters with phenols. Organic letters, 2012, 14, 3324-3327 |
| 1507851 | CIF | C18 H12 N2 O3 | P 1 21/c 1 | 6.8449; 14.8828; 13.9266 90; 102.129; 90 | 1387.1 | Yan, Jianwei; Cheng, Ming; Hu, Feng; Hu, Youhong Direct synthesis of functional azaxanthones by using a domino three-component reaction. Organic letters, 2012, 14, 3206-3209 |
| 1507852 | CIF | C24 H15 N O2 | P 1 21/n 1 | 14.1386; 6.9808; 17.394 90; 101.471; 90 | 1682.5 | Yan, Jianwei; Cheng, Ming; Hu, Feng; Hu, Youhong Direct synthesis of functional azaxanthones by using a domino three-component reaction. Organic letters, 2012, 14, 3206-3209 |
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