Crystallography Open Database
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Searching space group like 'P b c a'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1000047 | CIF | Mg2 O6 Si2 | P b c a | 18.25099; 8.814; 5.181 90; 90; 90 | 833.4 | Yang, H X; Ghose, S High temperature single crystal X-ray diffraction studies of the ortho- proto phase transition in enstatite, Mg2 Si2 O6 at 1360 K Physics and Chemistry of Minerals (Germany), 1995, 22, 300-310 |
1000079 | CIF | H K O6 P V | P b c a | 6.755; 9.1026; 17.0808 90; 90; 90 | 1050.3 | Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction European Journal of Solid State Inorganic Chemistry, 1988, 25, 599-607 |
1000080 | CIF | H5 N O6 P V | P b c a | 6.8064; 9.2567; 17.732 90; 90; 90 | 1117.2 | Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction European Journal of Solid State Inorganic Chemistry, 1988, 25, 599-607 |
1000081 | CIF | H O6 P Rb V | P b c a | 6.8182; 9.291; 17.631 90; 90; 90 | 1116.9 | Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction European Journal of Solid State Inorganic Chemistry, 1988, 25, 599-607 |
1000099 | CIF | Cl Co H4 O3 P | P b c a | 7.416; 13.082; 9.483 90; 90; 90 | 920 | Marcos, M D; Ibanez, R; Amoros, P; Le Bail, A Layer structure of (CoCl(H~2~PO~2~)) . H~2~O Acta Crystallographica C (39,1983-), 1991, 47, 1152-1155 |
1000133 | CIF | H4 N2 O8 Pd | P b c a | 5.0036; 10.6073; 11.7223 90; 90; 90 | 622.2 | Laligant, Y; Ferey, G; Le Bail, A Crystal structure of Pd (N O3)2 (H2 O)2 Materials Research Bulletin, 1991, 26, 269-275 |
1000282 | CIF | H8 Mo4 N2 O13 | P b c a | 7.647; 15.414; 18.994 90; 90; 90 | 2238.8 | Benchrifa, R; Leblanc, M; De Pape, R Synthesis and crystal structure of two polymorphs of (NH~4~)~2~Mo~4~O~13~, orthorhombic (o) and triclinic (t) European Journal of Solid State Inorganic Chemistry, 1989, 26, 593-601 |
1000362 | CIF | C Eu F3 Na2 O3 | P b c a | 6.596; 10.774; 14.09 90; 90; 90 | 1001.3 | Mercier, N; Leblanc, M A new rare earth fluorocarbonate, Na~2~Eu(CO~3~)F~3~ Acta Crystallographica C (39,1983-), 1994, 50, 1864-1865 |
1000505 | CIF | Ga H4 O6 P | P b c a | 9.926; 8.6189; 9.7622 90; 90; 90 | 835.2 | Loiseau, T; Paulet, C; Ferey, G Crystal structure determination of the hydrated gallium phosphate Ga P O4 . 2(H2 O), analog of variscite C. R. Acad. Sci. Paris, T. 1, Serie II, 1998, 1, 667-674 |
1001019 | CIF | Ca Cl H4 N O5 | P b c a | 9.052; 6.676; 19.797 90; 90; 90 | 1196.4 | Leclaire, A; Borel, M M Identification et structure du chlorure nitrate de calcium dihydrate Acta Crystallographica B (24,1968-38,1982), 1978, 34, 902-904 |
1001135 | CIF | Cd4 I3 P2 | P b c a | 12.89; 12.725; 12.654 90; 90; 90 | 2075.6 | Rebbah, A; Yazbeck, J; Deschanvres, A Structure de Cd~4~ P~2~ I~3~ Acta Crystallographica B (24,1968-38,1982), 1980, 36, 1747-1749 |
1001644 | CIF | K3 Mo4 O24 P5 | P b c a | 9.676; 14.366; 28.39099 90; 90; 90 | 3946.5 | Hoareau, T; Leclaire, A; Borel, M M; Grandin, A; Raveau, B A Mo(V) monophosphate with a tunnel structure: K3 (Mo O)4 (P O4)5 Journal of Solid State Chemistry, 1995, 114, 61-65 |
1001813 | CIF | K2 O15 P4 V2 | P b c a | 22.181; 11.564; 9.548 90; 90; 90 | 2449.1 | Borel, M M; Leclaire, A; Chardon, J; Provost, J; Rebbah, H; Raveau, B A V(IV) tetraphosphate with a tunnel structure K2 (V O)2 P4 O13 Journal of Solid State Chemistry, 1997, 132, 41-46 |
1004016 | CIF | H O4 P Sr | P b c a | 8.131; 9.258; 18.084 90; 90; 90 | 1361.31 | Ben Taher, L.; Smiri, L.; Laligant, Y.; Maisonneuve, V. Investigation of th alkaline earth phosphates: synthesis and crystal structure of a new strontium hydrogen phosphate form Journal of Solid State Chemistry, 2000, 152, 428-434 |
1004151 | CIF | B5 O8 Tl | P b c a | 7.557; 11.925; 14.734 90; 90; 90 | 1327.8 | Touboul, M; Nowogrocki, G Dehydration process of Tl B5 O6 (O H)4 . 2(H2 O) and crystal structure of Tl B5 O8 Journal of Solid State Chemistry, 1998, 136, 216-220 |
1005022 | CIF | Ce3 Cl6 N | P b c a | 10.708; 11.233; 16.52699 90; 90; 90 | 1987.9 | Ehrlich, G M; Badding, M E; Brese, N E; Trail, S S; DiSalvo, F J Corrigendum to "New cerium nitride chlorides: Ce6 Cl12 N2 and Ce N Cl" Journal of Alloys Compd., 1996, 235, 133-134 |
1005025 | CIF | Ce3 Cl6 N | P b c a | 10.708; 11.233; 16.52699 90; 90; 90 | 1987.9 | Ehrlich, G M; Badding, M E; Brese, N E; Trail, S S; DiSalvo, F J New cerium nitride chlorides: Ce6 Cl12 N2 and Ce N Cl Journal of Alloys Compd., 1994, 206, 95-101 |
1007005 | CIF | H4 Li2 N O9 P3 | P b c a | 12.199; 13.047; 10.537 90; 90; 90 | 1677.1 | Averbuch-Pouchot, M T; Durif, A; Guitel, J C Structure cristalline du polyphosphate de lithium-ammonium, Li~2~ N H~4~ (P O~3~)~3~ Acta Crystallographica B (24,1968-38,1982), 1976, 32, 2440-2443 |
1007031 | CIF | Cd O6 P2 | P b c a | 9.607; 13.7; 7.037 90; 90; 90 | 926.2 | Bagieu-Beucher, M; Guitel, J C; Tordjman, I; Durif, A Affinement de la structure cristalline du polyphosphate de cadmium. Cd (P O~3~)~2~ Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977), 1974, 97, 481-484 |
1007100 | CIF | Ag4 O7 V2 | P b c a | 18.82; 10.89; 13.925 90; 90; 90 | 2853.9 | Masse, R; Averbuch-Pouchot, M T; Durif, A; Guitel, J C Chemical Preparation and Crystal Structure of Silver Pyrovanadate, Ag~4~ V~2~ O~7~ Acta Crystallographica C (39,1983-), 1983, 39, 1608-1610 |
1008059 | CIF | F3 K N O3 Sb | P b c a | 7.911; 7.861; 18.092 90; 90; 90 | 1125.1 | Bourgault, M; Ducourant, M B; Mascherpa Corral, D; Fourcade, R Structure cristalline et moleculaire de K Sb F~3~ N O~3~ Journal of Fluorine Chemistry, 1981, 17, 215-224 |
1008120 | CIF | F3 H2 N Na O4 Sb | P b c a | 18.18; 11.505; 5.66 90; 90; 90 | 1183.9 | Bourgault, M; Ducourant, B; Mascherpa Corral, D; Fourcade, R Structure cristalline de Na Sb F~3~ (N O~3~) (H~2~ O). Etude de la liaison hydrogene O-H-X (X=Cl, Br, (N O~3~) ) Journal of Fluorine Chemistry, 1981, 17, 305-315 |
1008177 | CIF | C2 H4 Cl Cu N2 S2 | P b c a | 15.576; 6.923; 11.416 90; 90; 90 | 1231 | Mosset, A; Abboudi, M; Galy, J Etude structurale, par diffraction des rayons X, du rubeanate de cuivre(I): Cu Cl (C~2~ N~2~ S~2~ H~4~) Zeitschrift fuer Kristallographie (149,1979-), 1983, 164, 181-188 |
1008316 | CIF | Ce I S | P b c a | 7.33; 7.05; 14.35 90; 90; 90 | 741.6 | Beck, H P; Strobel, C Zur Hochdruckpolymorphie der Seltenerdsulfidiodide Ln S I Zeitschrift fuer Anorganische und Allgemeine Chemie, 1986, 535, 229-239 |
1010810 | CIF | Cd N6 | P b c a | 7.82; 6.46; 16.04 90; 90; 90 | 810.3 | Bassiere, M Sur la structure de l'azoture de cadmium. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965), 1937, 204, 1573-1574 |
1011018 | CIF | Fe0.155 Mg0.845 O3 Si | P b c a | 18.15999; 8.84; 5.19 90; 90; 90 | 833.2 | Takané, Katsutashi Crystal Structure of Bronzite from Chichi-jiama in the Bonin Islands Proceedings of the Imperial Academy (Tokyo), 1932, 8, 308-311 |
1011238 | CIF | Fe0.3 Mg0.7 O3 Si | P b c a | 18.2; 8.86; 5.2 90; 90; 90 | 838.5 | Warren, B E; Modell, D I The Structure of Enstatite, Mg Si O3 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1930, 75, 1-14 |
1011268 | CIF | B Be2 H O4 | P b c a | 9.75; 12.204; 4.429 90; 90; 90 | 527 | Zachariasen, W H The crystalline structure of Hambergite Be2 B O3 (O H) Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1931, 76, 289-302 |
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 |
1100165 | CIF | C10 H18 N8 O8 Zn | P b c a | 7.543; 13.1384; 17.2599 90; 90; 90 | 1710.5 | Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas Polyhedron, 2004, 23, 743-747 |
1100204 | CIF | C6 H17 Cl N P | P b c a | 12.736; 11.488; 13.02 90; 90; 90 | 1904.97 | Chitsaz, S.; Folkerts, H.; Grebe, J.; Gröb, T.; Harms, K.; Hiller, W.; Krieger, M.; Massa, W.; Merle, J.; Möhlen, M.; Neumüller, B.; Dehnicke, K. Die Kristallstrukturen einer Serie von Verbindungen mit Kationen des Typs [R~3~PNH~2~]^+^, [R3PN(H)SiMe~3~]^+^ und [R3PN(SiMe~3~)~2~]^+^ Zeitschrift für Anorganische und Allgemeine Chemie, 2000, 626, 775-783 |
1100283 | CIF | C23 H29 Cl N4 O3 | P b c a | 14.462; 17.405; 17.299 90; 90; 90 | 4354.35 | Harms, K.; Sheldrick, G. M.; Schul, W.; Tietze, L. F. Structure of an indolochinolizine derivative Acta Crystallographica, Section C: Crystal Structure Communications, 1986, 42, 1665-1667 |
1100285 | CIF | C12 H18 O4 S | P b c a | 8.745; 33.451; 8.845 90; 90; 90 | 2587.42 | Harms, K.; Sheldrick, G. M.; Reichert, U.; Tietze, L. F. Structure of a cycloheptenone derivative Acta Crystallographica, Section C: Crystal Structure Communications, 1986, 42, 1662-1663 |
1100365 | CIF | C14 H29 N3 O4 | P b c a | 14.715; 15.43; 15.029 90; 90; 90 | 3412.37 | Reetz, Manfred T.; Bingel, Carsten; Harms, Klaus Structure of carbanions having carbocations as counterions Journal of the Chemical Society, Chemical Communications, 1993, 1558-1560 |
1100378 | CIF | C13 H15 I O3 | P b c a | 8.01; 14.74; 22.811 90; 90; 90 | 2693.24 | Hoffmann, Reinhard W.; Stürmer, Rainer; Harms, Klaus A phenyl-assisted asymmetric iodolactonisation reaction Tetrahedron Letters, 1994, 35, 6263-6266 |
1100391 | CIF | C8 H14 Cl2 N P Ti | P b c a | 12.026; 12.242; 17.667 90; 90; 90 | 2600.98 | Rübenstahl, T.; Weller, F.; Harms, K.; Dehnicke, K.; Fenske, D.; Baum, G. Phosphaniminato-Komplexe des Titans. Synthese und Kristallstrukturen von CpTiCl2(NPMe~3~), [TiCl~3~(NPMe~3~)]~2~, [Ti~2~Cl~5~(NPMe~2~Ph)~3~] und [Ti~3~Cl~6~(NPMe~3~)~5~][BPh~4~] Zeitschrift fuer Anorganische und Allgemeine Chemie, 1994, 620, 1741-1749 |
1100392 | CIF | C6 H18 Cl6 N2 P2 Ti2 | P b c a | 11.405; 11.122; 15.894 90; 90; 90 | 2016.1 | Rübenstahl, T.; Weller, F.; Harms, K.; Dehnicke, K.; Fenske, D.; Baum, G. Phosphaniminato-Komplexe des Titans. Synthese und Kristallstrukturen von CpTiCl2(NPMe~3~), [TiCl~3~(NPMe~3~)]~2~, [Ti~2~Cl~5~(NPMe~2~Ph)~3~] und [Ti~3~Cl~6~(NPMe~3~)~5~][BPh~4~] Zeitschrift fuer Anorganische und Allgemeine Chemie, 1994, 620, 1741-1749 |
1100399 | CIF | C22 H40 Li2 N2 O4 S2 | P b c a | 12.265; 14.544; 32.444 90; 90; 90 | 5787.43 | Boche, Gernot; Hilf, Christof; Harms, Klaus; Marsch, Michael; Lohrenz, John C. W. Crystal Structure of the Dimeric(4-tert-Butylthiazolato)(glyme)lithium: Carbene Character of a Formyl Anion Equivalent Angewandte Chemie, International Edition in English, 1995, 34, 487-489 |
1100447 | CIF | C27 H23 Cl I P | P b c a | 10.4707; 17.0026; 27.9321 90; 90; 90 | 4972.73 | Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt Kristallstruktur von [PMePh~3~][Cl-1-C≡C-Ph] / Crystal Structure of [PMePh~3~][Cl-I-C≡C-Ph] Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences, 52, 772-772 |
1100473 | CIF | C12 H30 B2 Cl4 N2 P2 | P b c a | 12.695; 11.387; 14.703 90; 90; 90 | 2125.44 | Möhlen, M.; Harms, K.; Dehnicke, K.; Magull, J.; Goesmann, H.; Fenske, D. Phosphanimin- und Phosphaniminato-Komplexe von Bor. Synthese und Kristallstrukturen von [BF~3~(Me~3~SiNPEt~3~)], [BCl~2~(NPPh~3~)]~2~, [BCl~2~(NPEt~3~)]~2~, [B~2~Cl~3~(NPEt~3~)~2~]^+^BCl~4~^-^ und [B~2~Cl~2~(NPiPr~3~)~3~]^+^BCl~4~^-^ Zeitschrift fuer Anorganische und Allgemeine Chemie, 1996, 622, 1692-1700 |
1100474 | CIF | C12 H30 B3 Cl7 N2 P2 | P b c a | 13.093; 16.198; 24.107 90; 90; 90 | 5112.62 | Möhlen, M.; Harms, K.; Dehnicke, K.; Magull, J.; Goesmann, H.; Fenske, D. Phosphanimin- und Phosphaniminato-Komplexe von Bor. Synthese und Kristallstrukturen von [BF~3~(Me~3~SiNPEt~3~)], [BCl~2~(NPPh~3~)]~2~, [BCl~2~(NPEt~3~)]~2~, [B~2~Cl~3~(NPEt~3~)~2~]^+^BCl~4~^-^ und [B~2~Cl~2~(NPiPr~3~)~3~]^+^BCl~4~^-^ Zeitschrift fuer Anorganische und Allgemeine Chemie, 1996, 622, 1692-1700 |
1100486 | CIF | C18 H42 Cl8 N2 P2 Ta2 | P b c a | 14.206; 14.839; 16.22 90; 90; 90 | 3419.22 | Philipp, G.; Harms, K.; Dehnicke, K.; Maichle-Mössmer, C.; Abram, U. Phosphaniminato-Komplexe von Niob und Tantal. Die Kristallstrukturen von [NbCl~4~(NPiPr~3~)(CH~3~CN)], [NbCl~3~(NPiPr~3~)~2~], [TaCl~4~(NPiPr~3~)]~2~ und [TaCl~3~(NPiPr~3~)~2~] Zeitschrift fuer Anorganische und Allgemeine Chemie, 1996, 622, 1927-1934 |
1100509 | CIF | C32 H74 B2 P2 | P b c a | 18.003; 14.474; 28.384 90; 90; 90 | 7396.17 | Graf, Claus-Dieter; Malan, Christophe; Harms, Klaus; Knochel, Paul New Homochiral Ligands Bearing Nonstereogenic Chirotopic Centers. Lithiated N,N'-Dialkylureas as Chiral Bases and Sterically Crowded Phosphines for Asymmetric Catalysis Journal of Organic Chemistry, 1999, 64, 5581-5588 |
1100542 | CIF | C70 H48 Br2 Cl8 F12 I6 P2 | P b c a | 21.06; 15.668; 24.458 90; 90; 90 | 8070.36 | Grebe, Jutta; Geiseler, Gertraud; Harms, Klaus; Dehnicke, Kurt Donor-Akzeptor-Komplexe von Halogenidionen mit 1.4-Diiodtetrafluorbenzol / Donor-Acceptor Complexes of Halide Ions with 1,4-Diiodotetrafluorobenzene Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences, 1999, 54, 77-86 |
1100544 | CIF | C26 H24 F12 I8 N2 | P b c a | 12.105; 14.29; 24.703 90; 90; 90 | 4273.14 | Grebe, Jutta; Geiseler, Gertraud; Harms, Klaus; Dehnicke, Kurt Donor-Akzeptor-Komplexe von Halogenidionen mit 1.4-Diiodtetrafluorbenzol / Donor-Acceptor Complexes of Halide Ions with 1,4-Diiodotetrafluorobenzene Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences, 1999, 54, 77-86 |
1100587 | CIF | C47 H73 Br Mg O5 Zn | P b c a | 19.8876; 20.0341; 23.7074 90; 90; 90 | 9445.74 | Krieger, Matthias; Geiseler, Gertraud; Harms, Klaus; Merle, Jan; Massa, Werner; Dehnicke, Kurt Die Kristallstrukturen der Triarylzinkate [Mg~2~Br~3~(THF)~6~][ZnPh~3~] und [MgBr(THF)~5~][ZnMes~3~] Zeitschrift fuer Anorganische und Allgemeine Chemie, 1998, 624, 1387-1388 |
1100591 | CIF | C30 H36 O S | P b c a | 13.613; 16.073; 22.718 90; 90; 90 | 4970.74 | Hoffmann, Reinhard W.; Koberstein, Ralf; Harms, Klaus Chiral organometallic reagents. Part XXIII. On the stereochemistry of the carbolithiation reaction of vinyl sulfides Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1999, 183-192 |
1100597 | CIF | C90 H84 N3 P3 Y2 | P b c a | 27.372; 19.889; 28.579 90; 90; 90 | 15558.5 | Anfang, S.; Harms, K.; Weller, F.; Borgmeier, O.; Lueken, H.; Schilder, H.; Dehnicke, K. Phosphaniminato-Komplexe Seltener Erden. Synthese und Kristallstrukturen von [M~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~ mit M = Y, Dy und Er. Magnetische Eigenschaften von [Dy~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~ Zeitschrift fuer Anorganische und Allgemeine Chemie, 1998, 624, 159-166 |
1100598 | CIF | C90 H84 Dy2 N3 P3 | P b c a | 27.35; 19.872; 28.578 90; 90; 90 | 15532.1 | Anfang, S.; Harms, K.; Weller, F.; Borgmeier, O.; Lueken, H.; Schilder, H.; Dehnicke, K. Phosphaniminato-Komplexe Seltener Erden. Synthese und Kristallstrukturen von [M~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~ mit M = Y, Dy und Er. Magnetische Eigenschaften von [Dy~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~ Zeitschrift fuer Anorganische und Allgemeine Chemie, 1998, 624, 159-166 |
1100599 | CIF | C90 H84 Er2 N3 P3 | P b c a | 27.333; 19.811; 28.511 90; 90; 90 | 15438.5 | Anfang, S.; Harms, K.; Weller, F.; Borgmeier, O.; Lueken, H.; Schilder, H.; Dehnicke, K. Phosphaniminato-Komplexe Seltener Erden. Synthese und Kristallstrukturen von [M~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~ mit M = Y, Dy und Er. Magnetische Eigenschaften von [Dy~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~ Zeitschrift fuer Anorganische und Allgemeine Chemie, 1998, 624, 159-166 |
1100635 | CIF | C90 H84 N3 P3 Yb2 | P b c a | 27.276; 19.7754; 28.4888 90; 90; 90 | 15366.7 | Anfang, S.; Gröb, T.; Harms, K.; Seybert, G.; Massa, W.; Greiner, A.; Dehnicke, K. Phosphaniminato-Komplexe von Seltenerdelementen. Die Kristallstrukturen von [Yb~2~Cp~3~(NPPh~3~)~3~], [YCp(NPPh~3~)(μ-OSiMe~2~NPPh~3~)]~2~ und [M(NPPh~3~)~2~(μ-OSiMe~2~NPPh~3~)]~2~ mit M = Y und Sm Zeitschrift fuer Anorganische und Allgemeine Chemie, 1999, 625, 1853-1859 |
1100649 | CIF | C15 H14 F3 N3 | P b c a | 15.625; 23.028; 7.685 90; 90; 90 | 2765 | Chizuru, Sasaki; Soh-ichi, Kitoh; Kazuya, Yamada; Ko-Ki, Kunimoto; Shiro, Maeda; Akio, Kuwae; Kazuhiko, Hanai Crystal Structure of 2-Trifluoromethyl-4'-dimethylaminoazobenzene Analytical Sciences: X-ray Structure Analysis Online, 2003, 19, x1-x2 |
1100664 | CIF | C14 H12 O2 | P b c a | 5.882; 12.104; 30.58 90; 90; 90 | 2177.2 | Mahendra, M.; Doreswamy, B. H.; Khanum, S. A.; Shashikanth, S.; Sudha, B. S.; Sridhar, M. A.; Prasad, J. S. Synthesis and Crystal Structure of (2-Hydroxy-5-methyl phenyl)phenyl Methanone Analytical Sciences: X-ray Structure Analysis Online, 2003, 19, x29-x30 |
1100684 | CIF | C16 H14 O2 | P b c a | 6.3805; 15.624; 24.778 90; 90; 90 | 2470 | Kitamura, Chitoshi; Fujimoto, Jun; Ouchi, Mikio; Yoneda, Akio Crystal Structure of 1,4-Dimethoxyanthracene Analytical Sciences: X-ray Structure Analysis Online, 2003, 19, x69-x70 |
1100770 | CIF | C6 H8 N Ni O5 P | P b c a | 8.798; 10.1982; 17.945 90; 90; 90 | 1610.1 | Deng-Ke Cao; Yi-Zhi Li; You Song; Li-Min Zheng Three-, Two-, and One-Dimensional Metal Phosphonates Based on [Hydroxy(4-pyridyl)methyl]phosphonate: M{(4-C5H4N)CH(OH)PO3}(H2O) (M = Ni, Cd) and Gd{(4-C5H4N)CH(OH)P(OH)O2}3.6H2O Inorganic Chemistry, 2005, 44, 3599-3604 |
1100831 | CIF | C32 H46 Au N | P b c a | 17.2772; 18.3213; 18.6586 90; 90; 90 | 5906.21 | Schuster, Oliver; Schmidbaur, Hubert Preparative Routes to the First Tri- and Tetra(alkynyl)gold(III) Compounds: (L)Au(C⋮CR) <sub>3</sub> and [ER <sub>4</sub> ] <sup>+</sup> [Au(C⋮CR) <sub>4</sub> ] <sup>-</sup> Organometallics, 2005, 24, 2289-2296 |
1100850 | CIF | C24.5 H43.84 B5 Cl3 Ru2 S | P b c a | 22.027; 12.4145; 23.813 90; 90; 90 | 6511.5 | Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C. Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~ Organometallics, 2005, 24, 2473-2480 |
1100961 | CIF | C28 H46 Fe P2 | P b c a | 17.9931; 15.2837; 20.2132 90; 90; 90 | 5558.7 | Eric J. Hawrelak; Wesley H. Bernskoetter; Emil Lobkovsky; Gordon T. Yee; Eckhard Bill; Paul J. Chirik Square Planar vs Tetrahedral Geometry in Four Coordinate Iron(II) Complexes Inorganic Chemistry, 2005, 44, 3103-3111 |
1101053 | CIF | K2 Mo4 O13 | P b c a | 7.5479; 15.391; 18.527 90; 90; 90 | 2152.3 | Kazuo Eda; Kin Chin; Noriyuki Sotani; M. Stanley Whittingham Journal of Solid State Chemistry |
1101073 | CIF | C20 H20 Cu2 N16 O8 | P b c a | 10.2473; 16.1318; 16.2087 90; 90; 90 | 2679.4 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; José A. Dobado; José Molina Molina; Manuel G. Basallote; M. Ángeles Máñez European Journal of Inorganic Chemistry, 2002, 811-818 |
1101084 | CIF | C34 H26 Cl2 N12 O12 Pd2 | P b c a | 15.468; 20.652; 25.162 90; 90; 90 | 8038 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas Solution and solid state coexistence of head‒head and head‒tail isomers in dimeric Pd(II) and Pt(II) complexes of the type [M2(a‒a)2(µ-L-N3N4)2]2+ with a bridging triazolopyrimidine ligand and chelating bidentate diamines J. Chem. Soc., Dalton Trans., 2002, 4740-4745 |
1101123 | CIF | C10 H16 Cl2 Cu N4 O4 | P b c a | 14.045; 11.749; 19.701 90; 90; 90 | 3251 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrato bridged-mercury(II) complex. Polyhedron, 1998, 17, 3409-3418 |
1101130 | CIF | C16 H16 Au Br4 N8 Na O4 | P b c a | 15.2488; 15.238; 21.563 90; 90; 90 | 5010.5 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas Gold(III)-pteridine compounds: synthesis, spectral, and X-ray diffraction stuides on new adducts between sodium tetrabromoaurate(III) and lumazine derivatives Journal of Chemical Cristallography, 1998, 28, 565-570 |
1200001 | CIF | C14 H17 N O4 S | P b c a | 15.9407; 9.1737; 19.015 90; 90; 90 | 2780.7 | Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides Acta Crystallographica, Section C, 2001, 57, 1454-1456 |
1500007 | CIF | C8 H32 Br4 Cd Cl4 Co2 N8 | P b c a | 18.6201; 12.0872; 24.0877 90; 90; 90 | 5421.3 | Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós Second sphere coordination complexes via hydrogen bonding: Synthesis, spectroscopic characterisation of [trans-Co(en)~2~Cl~2~]CdX~4~ (X = Br or I) and single crystal X-ray structure determination of [trans-Co(en)~2~Cl~2~]CdBr~4~ Journal of Molecular Structure, 2006, 794, 341-347 |
1500011 | CIF | C24 H29 Cl2 Co N9 O12 | P b c a | 14.9599; 19.0064; 23.4883 90; 90; 90 | 6678.5 | Sonia B. Jiménez-Pulido; Fátima M. Linares-Ordoñez; José M. Martínez-Martos; Miguel N. Moreno-Carretero; Miguel Quirós; María J. Ramírez-Expósito Metal complexes with the ligand derived from 6-acetyl-1,3,7-trimethyllumazine and benzohydrazide. Molecular structures of two new Co(II) and Rh(III) complexes and analysis of in vitro antitumor activity Journal of Inorganic Biochemistry, 2008, 102, 1677-1683 |
1500019 | CIF | C13 H11 N O2 | P b c a | 9.4668; 8.8177; 25.9413 90; 90; 90 | 2165.5 | Maria Lalia Kantouri; Christos D. Papadopoulos; Antonios G. Hatzdimitriou; Miguel Quirós Synthesis and characterization of new Co(III) mixed-ligand complexes, containing 2-hydroxy-aryloximes and α-diimines. Crystal and molecular strucutre of [Co(saox)(bipy)~2~]Br Polyhedron, 2007, 26, 1292-1302 |
1500040 | CIF | C7 H10 Ag Cl N2 | P b c a | 16.33228; 16.2155; 7.24228 90; 90; 90 | 1918.02 | Al-Ktaifani, M. M.; Rukiah, M. K.; Shaaban, A. K. Synthesis and Solid State Characterization of Organometallic Polymer of Ag(I) Using 2,2-Dimethyl-1,3-diisocyano Propane Ligand Pol.J.Chem., 2008, 82, 547-557 |
1501558 | CIF | C7 H12 Ag F3 O2 S2 | P b c a | 7.6138; 16.0573; 19.894 90; 90; 90 | 2432.2 | Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris Influence of the counteranion on silver(I)-dithioether coordination polymers Polyhedron, 2010, 29, 2966-2975 |
1501708 | CIF | C10 H13 N3 O2 S | P b c a | 11.0859; 13.0805; 15.8132 90; 90; 90 | 2293.06 | Farrugia, Louis J.; Khalaji, Aliakbar Dehno Evidence for side-chain π-delocalization in a planar substituted benzene: an experimental and theoretical charge density study on 2,5-dimethoxybenzaldehyde thiosemicarbazone. The journal of physical chemistry. A, 2011, 115, 12512-12522 |
1501759 | CIF | C10 H16 N6 O4 | P b c a | 16.138; 7.0036; 22.75 90; 90; 90 | 2571.3 | Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes. The journal of physical chemistry. A, 2011, 115, 10087-10096 |
1501785 | CIF | C20 H11 Cl2 N2 Ti | P b c a | 14.606; 12.1974; 20.733 90; 90; 90 | 3693.69 | Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems Macromolecules, 2011, 44, 1986 |
1501850 | CIF | C44 H40 N4 Ni | P b c a | 15.338; 13.793; 15.4883 90; 90; 90 | 3276.7 | Sarma, Tridib; Panda, Pradeepta K.; Anusha, P. T.; Rao, S. Venugopal Dinaphthoporphycenes: synthesis and nonlinear optical studies. Organic letters, 2011, 13, 188-191 |
1501862 | CIF | C22 H6 B F15 O | P b c a | 14.2119; 16.668; 18.1682 90; 90; 90 | 4303.75 | Chen, Chao; Voss, Tanja; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard 1,1-carboboration of 1-alkynes: a conceptual alternative to the hydroboration reaction. Organic letters, 2011, 13, 62-65 |
1501881 | CIF | C31 H27 N3 O3 | P b c a | 18.5834; 25.3538; 32.657 90; 90; 90 | 15386.7 | Dial, Brent E.; Rasberry, Roger D.; Bullock, Brooke N.; Smith, Mark D.; Pellechia, Perry J.; Profeta, Jr, Salvatore; Shimizu, Ken D. Guest-accelerated molecular rotor. Organic letters, 2011, 13, 244-247 |
1501969 | CIF | C35 H38 Cl N O2 | P b c a | 10.9327; 19.6472; 27.9312 90; 90; 90 | 5999.5 | Cohen, Daniel T.; Cardinal-David, Benoit; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A. NHC-catalyzed/titanium(IV)-mediated highly diastereo- and enantioselective dimerization of enals. Organic letters, 2011, 13, 1068-1071 |
1502038 | CIF | C24 H22 N2 O3 | P b c a | 15.6502; 13.1606; 37.823 90; 90; 90 | 7790.3 | Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties. Organic letters, 2011, 13, 1658-1661 |
1502065 | CIF | C27 H20 N2 S | P b c a | 7.3583; 20.2268; 28.3714 90; 90; 90 | 4222.65 | Murai, Toshiaki; Hori, Fumihiko; Maruyama, Toshifumi Intramolecular cyclization of in situ generated adducts formed between thioamide dianions and thioformamides leading to generation of 5-amino-2-thiazolines and 5-aminothiazoles, and their fluorescence properties. Organic letters, 2011, 13, 1718-1721 |
1502084 | CIF | C13 H15 N O2 | P b c a | 11.542; 12.157; 15.623 90; 90; 90 | 2192.2 | Kulyk, Svitlana; Dougherty, Jr, William G; Kassel, W. Scott; Zdilla, Michael J.; Sieburth, Scott McN Intramolecular pyridone/enyne photocycloaddition: partitioning of the [4 + 4] and [2 + 2] pathways. Organic letters, 2011, 13, 2180-2183 |
1502086 | CIF | C18 H26 O | P b c a | 19.6684; 6.0152; 26.14 90; 90; 90 | 3092.6 | Rendina, Victor L.; Moebius, David C.; Kingsbury, Jason S. An enantioselective synthesis of 2-aryl cycloalkanones by Sc-catalyzed carbon insertion. Organic letters, 2011, 13, 2004-2007 |
1502090 | CIF | C25 H27 F3 N2 O2 S Si | P b c a | 8.2616; 18.2223; 34.406 90; 90; 90 | 5179.7 | Garcia, Pierre; Evanno, Yannick; George, Pascal; Sevrin, Mireille; Ricci, Gino; Malacria, Max; Aubert, Corinne; Gandon, Vincent Regioselective cobalt-catalyzed formation of bicyclic 3- and 4-aminopyridines. Organic letters, 2011, 13, 2030-2033 |
1502119 | CIF | C16 H17 N3 | P b c a | 13.2943; 7.4099; 27.6216 90; 90; 90 | 2721 | Kumar, Rapolu Kiran; Ali, Md Ashif; Punniyamurthy, Tharmalingam Pd-catalyzed C-H activation/C-N bond formation: a new route to 1-aryl-1H-benzotriazoles. Organic letters, 2011, 13, 2102-2105 |
1502379 | CIF | C11 H10 Br2 N4 O2 | P b c a | 14.934; 9.5657; 17.7739 90; 90; 90 | 2539.08 | Hewlett, Nicole M.; Tepe, Jetze J. Total synthesis of the natural product (±)-dibromophakellin and analogues. Organic letters, 2011, 13, 4550-4553 |
1502387 | CIF | C14 H13 N3 | P b c a | 12.771; 9.914; 18.545 90; 90; 90 | 2348 | Shen, Hao; Wang, Yang; Xie, Zuowei Ti-amide catalyzed synthesis of cyclic guanidines from di-/triamines and carbodiimides. Organic letters, 2011, 13, 4562-4565 |
1502458 | CIF | C23 H27 N O2 | P b c a | 9.2396; 14.8406; 27.0972 90; 90; 90 | 3715.6 | Sladojevich, Filippo; Michaelides, Iacovos N.; Benjamin, Darses; Ward, John W.; Dixon, Darren J. Expedient Route to the functionalized calyciphylline A-type skeleton via a Michael addition-RCM strategy. Organic letters, 2011, 13, 5132-5135 |
1502473 | CIF | C34 H34 N2 O2 S | P b c a | 13.1485; 16.858; 25.981 90; 90; 90 | 5758.9 | Cheng, Jiajia; Jiang, Xuefeng; Ma, Shengming Palladium-catalyzed approach to stereodefined ten-membered cycles from 1,5-bisallenes. Organic letters, 2011, 13, 5200-5203 |
1502474 | CIF | C31 H37 Br2 N O4 | P b c a | 15.4711; 9.7718; 39.174 90; 90; 90 | 5922.3 | Cheng, Jiajia; Jiang, Xuefeng; Ma, Shengming Palladium-catalyzed approach to stereodefined ten-membered cycles from 1,5-bisallenes. Organic letters, 2011, 13, 5200-5203 |
1502561 | CIF | C19 H24 O5 | P b c a | 10.1514; 18.0417; 18.4086 90; 90; 90 | 3371.5 | Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A. Total synthesis of norcembrenolide B and scabrolide D. Organic letters, 2011, 13, 5854-5857 |
1502595 | CIF | C19 H21 N O2 | P b c a | 7.889; 17.297; 22.433 90; 90; 90 | 3061.1 | Chun, Yu Sung; Lee, Jun Hee; Kim, Ju Hyun; Ko, Young Ok; Lee, Sang-gi Tandem one-pot synthesis of polysubstituted pyridines using the Blaise reaction intermediate and 1,3-enynes. Organic letters, 2011, 13, 6390-6393 |
1502613 | CIF | C18 H20 N2 O2 | P b c a | 7.8221; 14.5983; 27.4837 90; 90; 90 | 3138.3 | Yagishita, Fumitoshi; Sakamoto, Masami; Mino, Takashi; Fujita, Tsutomu Asymmetric intramolecular cyclobutane formation via photochemical reaction of N,N-diallyl-2-quinolone-3-carboxamide using a chiral crystalline environment. Organic letters, 2011, 13, 6168-6171 |
1502638 | CIF Paper | C25 H15 Br N4 | P b c a | 14.7393; 10.7465; 25.4251 90; 90; 90 | 4027.23 | Thirumurugan, Prakasam; Nandakumar, A.; Muralidharan, D.; Perumal, Paramasivan T. Simple and Convenient Approach to the Kr€ohnke Pyridine Type Synthesis of Functionalized Indol-3-yl Pyridine Derivatives Using 3-Cyanoacetyl Indole Journal of Combinatorial Chemistry, 2010, 12, 161 |
1502675 | CIF | B F3 H3 N | P b c a | 8.0067; 7.9511; 9.2216 90; 90; 90 | 587.07 | Mebs, Stefan; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Hartl, Monika; Daemen, Luke L.; Morgenroth, Wolfgang; Luger, Peter; Paulus, Beate; Lentz, Dieter Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts. The journal of physical chemistry. A, 2010, 114, 10185-10196 |
1502729 | CIF | C11 H16 N2 O | P b c a | 11.0135; 10.1491; 19.8528 90; 90; 90 | 2219.09 | Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A, 2010, 114, 10421-10426 |
1502760 | CIF | C47 H49 N3 | P b c a | 11.408; 25.189; 28.093 90; 90; 90 | 8073 | Suwa, Kazuya; Otsuki, Joe; Goto, Kei Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines. The journal of physical chemistry. A, 2010, 114, 884-890 |
1502778 | CIF | C20 H12 Br2 N2 Ni O2 | P b c a | 10.084; 14.552; 24.36 90; 90; 90 | 3574.6 | Fukumoto, Hiroki; Yamane, Kazuto; Kase, Yumiko; Yamamoto, Takakazu π-Conjugated Poly(aryleneethynylene)s Consisting of Salophen and Ni−Salophen Units in the π-Conjugated Main Chain: Preparation and Chemical Properties Macromolecules, 2010, 43, 10366 |
1502897 | CIF | C15 H17 N O3 | P b c a | 9.572; 13.652; 19.809 90; 90; 90 | 2588.6 | DeLorbe, John E.; Lotz, Monica D.; Martin, Stephen F. Concise total synthesis of (+/-)-lycopladine A. Organic letters, 2010, 12, 1576-1579 |
1502906 | CIF | C12 H12 Br N O2 | P b c a | 9.9717; 8.8126; 25.5594 90; 90; 90 | 2246.07 | Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Rogers-Evans, Mark; Carreira, Erick M. Synthesis and structural analysis of a new class of azaspiro[3.3]heptanes as building blocks for medicinal chemistry. Organic letters, 2010, 12, 1944-1947 |
1502921 | CIF | C17 H28 Cl N2 Rh | P b c a | 10.7478; 12.6636; 26.7573 90; 90; 90 | 3641.82 | Kim, Min; Chang, Sukbok Rhodium(NHC)-catalyzed amination of aryl bromides. Organic letters, 2010, 12, 1640-1643 |
1502945 | CIF | C8 H10 B I O4 | P b c a | 9.1721; 14.0916; 16.1791 90; 90; 90 | 2091.14 | Al-Zoubi, Raed M; Hall, Dennis G. Mild silver(I)-mediated regioselective iodination and bromination of arylboronic acids. Organic letters, 2010, 12, 2480-2483 |
1502990 | CIF | C8 H12 B12 F12 N8 | P b c a | 17.066; 14.6477; 17.8123 90; 90; 90 | 4452.7 | Shackelford, Scott A.; Belletire, John L.; Boatz, Jerry A.; Schneider, Stefan; Wheaton, Amanda K.; Wight, Brett A.; Ammon, Herman L.; Peryshkov, Dmitry V.; Strauss, Steven H. Bridged heterocyclium dicationic closo-icosahedral perfluoroborane, borane, and carborane salts via aqueous, open-air benchtop synthesis. Organic letters, 2010, 12, 2714-2717 |
1503005 | CIF | C30 H42 Cl2 Cu N12 O14 | P b c a | 12.126; 21.131; 30.52 90; 90; 90 | 7820 | Arunachalam, M.; Ahamed, B. Nisar; Ghosh, Pradyut Binding of ammonium hexafluorophosphate and cation-induced isolation of unusual conformers of a hexapodal receptor. Organic letters, 2010, 12, 2742-2745 |
1503092 | CIF | C26 H22 F3 N O2 S | P b c a | 15.2284; 17.6487; 17.8733 90; 90; 90 | 4803.7 | Minami, Yasunori; Kuniyasu, Hitoshi; Sanagawa, Atsushi; Kambe, Nobuaki Pd-catalyzed regioselective iminothiolation of alkynes: a remarkable effect of the CF3 group of iminosulfides. Organic letters, 2010, 12, 3744-3747 |
1503100 | CIF | C18 H21 Cl O2 | P b c a | 18.9939; 7.0672; 21.2043 90; 90; 90 | 2846.33 | Valiulin, Roman A.; Arisco, Teresa M.; Kutateladze, Andrei G. Strained to the limit: when a cyclobutyl moiety becomes a thermodynamic sink in a protolytic ring-opening of photogenerated oxetanes. Organic letters, 2010, 12, 3398-3401 |
1503186 | CIF | C30 H28 B Cl2 F N2 O | P b c a | 15.361; 14.451; 23.729 90; 90; 90 | 5267 | Shintani, Ryo; Soh, Ying-Teck; Hayashi, Tamio Rhodium-catalyzed asymmetric arylation of azomethine imines. Organic letters, 2010, 12, 4106-4109 |
1503203 | CIF | C12 H9 Cl O2 | P b c a | 15.103; 6.0078; 21.747 90; 90; 90 | 1973.2 | Huo, Fang-Jun; Sun, Yuan-Qiang; Su, Jing; Yang, Yu-Tao; Yin, Cai-Xia; Chao, Jian-Bin Chromene "lock", thiol "key", and mercury(II) ion "hand": a single molecular machine recognition system. Organic letters, 2010, 12, 4756-4759 |
1503208 | CIF | C18 H20 O2 | P b c a | 9.9559; 13.4641; 21.4149 90; 90; 90 | 2870.61 | Ramadhar, Timothy R.; Kawakami, Jun-ichi; Lough, Alan J.; Batey, Robert A. Stereocontrolled synthesis of contiguous C(sp3)-C(aryl) bonds by lanthanide(III)-catalyzed domino aryl-Claisen [3,3]-sigmatropic rearrangements. Organic letters, 2010, 12, 4446-4449 |
1503260 | CIF | C12 H10 O2 | P b c a | 9.8904; 13.3099; 13.8982 90; 90; 90 | 1829.56 | Hopkinson, Matthew N.; Ross, Jonathan E.; Giuffredi, Guy T.; Gee, Antony D.; Gouverneur, Véronique Gold-catalyzed cascade cyclization-oxidative alkynylation of allenoates. Organic letters, 2010, 12, 4904-4907 |
1503297 | CIF | C18 H24 O3 Si | P b c a | 18.994; 7.2836; 25.679 90; 90; 90 | 3552.6 | Harb, Hassan Y.; Collins, Karl D.; Garcia Altur, Jose V.; Bowker, Sue; Campbell, Leonie; Procter, David J. SmI~2~-mediated radical cyclizations directed by a C-Si bond Organic Letters, 2010, 12, 5446-5449 |
1503319 | CIF | C20 H14 N2 O | P b c a | 10.6357; 12.4031; 22.803 90; 90; 90 | 3008.07 | Andrew, Trisha L.; Cox, Jason R.; Swager, Timothy M. Synthesis, reactivity, and electronic properties of 6,6-dicyanofulvenes. Organic letters, 2010, 12, 5302-5305 |
1503370 | CIF | C24 H22 S6 Si2 | P b c a | 8.9624; 19.1122; 31.228 90; 90; 90 | 5349.1 | Wang, Zhihua; Shi, Jianwu; Wang, Jiange; Li, Chunli; Tian, Xinyong; Cheng, Yanxiang; Wang, Hua Syntheses and crystal structures of benzohexathia[7]helicene and naphthalene cored double helicene. Organic letters, 2010, 12, 456-459 |
1503377 | CIF | C19 H13 N3 O | P b c a | 7.0652; 20.188; 21.214 90; 90; 90 | 3025.8 | Zhao, Tiankun; Xu, Bin Palladium-catalyzed tandem amination reaction for the synthesis of 4-quinolones. Organic letters, 2010, 12, 212-215 |
1503383 | CIF | C118 H166 F30 N14 O20 | P b c a | 22.9778; 21.9054; 26.306 90; 90; 90 | 13240.8 | Arunachalam, M.; Ghosh, Pradyut Bistripodand amide host for compartmental recognition of multiple oxyanions. Organic letters, 2010, 12, 328-331 |
1503471 | CIF | C18 H18 O4 | P b c a | 8.3669; 17.2652; 20.0508 90; 90; 90 | 2896.5 | Ponnapalli, M. Gowri; Annam, S Ch V A Rao; Ravirala, Saidulu; Sukki, Sushma; Ankireddy, Madhu; Tuniki, V. Raju Unusual Isomeric Corniculatolides from Mangrove, Aegiceras corniculatum. Journal of natural products, 2012, 75, 275-279 |
1503509 | CIF | C32 H19 N7 Ni | P b c a | 22.06; 6.295; 34.93 90; 90; 90 | 4850.6 | Yamashita, Ken-ichi; Kataoka, Kazuyuki; Asano, Motoko S.; Sugiura, Ken-ichi Catalyst-free aromatic nucleophilic substitution of meso-bromoporphyrins with azide anion: efficient synthesis and structural analyses of meso-azidoporphyrins. Organic letters, 2012, 14, 190-193 |
1503520 | CIF | C8 H16 N2 O2 | P b c a | 13.5392; 6.7124; 20.4694 90; 90; 90 | 1860.27 | Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones. Organic letters, 2012, 14, 218-221 |
1503588 | CIF | C28 H28 N2 O4 S | P b c a | 19.5308; 10.1952; 24.8108 90; 90; 90 | 4940.3 | Wang, Liang; Guo, Wei; Zhang, Xiao-Xiao; Xia, Xu-Dong; Xiao, Wen-Jing Synthesis of Indolo [1,2-a]Quinoxalines via a Pd-Catalyzed Regioselective C-H Olefination/Cyclization Sequence. Organic letters, 2012, 14, 740-743 |
1503659 | CIF | C21 H24 N4 O2 | P b c a | 8.7519; 16.8317; 25.6881 90; 90; 90 | 3784.1 | Kong, Kah-Hoe; Tan, Chong-Kiat; Lam, Yulin Traceless Solid-Phase Synthesis of 6-Amino- and 6-Hydroxyimino-1,3,5-triazine-2,4-diones and 1,3,5-Triazine-2,4,6-triones Journal of Combinatorial Chemistry, 2009, 11, 1050 |
1503660 | CIF | C10 H10 N4 O3 | P b c a | 8.973; 8.3478; 28.1826 90; 90; 90 | 2111 | Kong, Kah-Hoe; Tan, Chong-Kiat; Lam, Yulin Traceless Solid-Phase Synthesis of 6-Amino- and 6-Hydroxyimino-1,3,5-triazine-2,4-diones and 1,3,5-Triazine-2,4,6-triones Journal of Combinatorial Chemistry, 2009, 11, 1050 |
1503721 | CIF | C22 H33 N5 O4 | P b c a | 8.0384; 16.6403; 33.381 90; 90; 90 | 4465.1 | Kuykendall, Darrell W.; Anderson, Cyrus A.; Zimmerman, Steven C. Hydrogen-bonded DeUG x DAN heterocomplex: structure and stability and a scalable synthesis of DeUG with reactive functionality. Organic letters, 2009, 11, 61-64 |
1503737 | CIF | C42 H28 | P b c a | 16.753; 17.878; 18.941 90; 90; 90 | 5673 | Toyota, Shinji; Onishi, Hiroyuki; Kawai, Yoshihiro; Morimoto, Takaaki; Miyahara, Hiroaki; Iwanaga, Tetsuo; Wakamatsu, Kan Stereogenic motif consisting of rigid ring and intraannular chains: isolation and structures of stereoisomers of 9-alkyl-1,8-anthrylene-butadiynylene cyclic dimers. Organic letters, 2009, 11, 321-324 |
1503748 | CIF | C22 H28 N O5 P S | P b c a | 12.596; 17.629; 20.182 90; 90; 90 | 4481.5 | Shintani, Ryo; Murakami, Masataka; Hayashi, Tamio Stereoselective synthesis of nipecotic acid derivatives via palladium-catalyzed decarboxylative cyclization of gamma-methylidene-delta-valerolactones with imines. Organic letters, 2009, 11, 457-459 |
1503798 | CIF | C15 H18 N2 O2 | P b c a | 11.725; 13.381; 17.617 90; 90; 90 | 2764 | Wang, Kewei; Fu, Xiaolan; Liu, Jinying; Liang, Yongjiu; Dong, Dewen PIFA-mediated oxidative cyclization of 1-carbamoyl-1-oximylcycloalkanes: synthesis of spiro-fused pyrazolin-5-one N-oxides. Organic letters, 2009, 11, 1015-1018 |
1503808 | CIF | C6 H8 O2 Te | P b c a | 25.479; 5.981; 30.461 90; 90; 90 | 4641.9 | Patra, Asit; Wijsboom, Yair H.; Leitus, Gregory; Bendikov, Michael Synthesis, structure, and electropolymerization of 3,4-dimethoxytellurophene: comparison with selenium analogue. Organic letters, 2009, 11, 1487-1490 |
1503835 | CIF | C37 H45 Cl3 I2 N2 O2 | P b c a | 19.8903; 16.9211; 25.5102 90; 90; 90 | 8585.9 | Pignataro, Luca; Papalia, Teresa; Slawin, Alexandra M. Z.; Goldup, Stephen M. Unusual mechanistic course of some NHC-mediated transesterifications. Organic letters, 2009, 11, 1643-1646 |
1503846 | CIF | C23 H23 N O | P b c a | 10.455; 11.538; 29.956 90; 90; 90 | 3613.6 | Yip, Kai-Tai; Zhu, Nian-Yong; Yang, Dan Palladium-catalyzed highly diastereoselective oxidative cascade cyclization reactions. Organic letters, 2009, 11, 1911-1914 |
1503882 | CIF | C16 H19 N3 O3 S2 | P b c a | 12.215; 8.434; 34.429 90; 90; 90 | 3546.9 | Attanasi, Orazio A.; Crescentini, Lucia De; Favi, Gianfranco; Filippone, Paolino; Giorgi, Gianluca; Mantellini, Fabio; Moscatelli, Giada; Behalo, Mohamed S. An efficient one-pot, three-component synthesis of 5-hydrazinoalkylidene rhodanines from 1,2-diaza-1,3-dienes. Organic letters, 2009, 11, 2265-2268 |
1503932 | CIF | C18 H26 N2 O3 | P b c a | 9.7178; 12.0387; 29.641 90; 90; 90 | 3467.7 | Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction. Organic letters, 2009, 11, 2333-2336 |
1503943 | CIF | C10 H15 N5 O3 | P b c a | 6.936; 17.283; 20.657 90; 90; 90 | 2476.3 | Picon, Sylvain; Tran, Huu Dau Elise; Martin, Marie-Thérèse; Retailleau, Pascal; Zaparucha, Anne; Al-Mourabit, Ali Biomimetically inspired short access to the 2-aminoimidazole-fused tetracyclic core of (+/-)-dibromoagelaspongin. Organic letters, 2009, 11, 2523-2526 |
1503989 | CIF | C18 H21 N O5 | P b c a | 12.7255; 9.7373; 26.8842 90; 90; 90 | 3331.3 | Tang, Yuchen; Fettinger, James C.; Shaw, Jared T. One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides. Organic letters, 2009, 11, 3802-3805 |
1504012 | CIF | C20 H17 N S2 | P b c a | 9.6873; 17.8299; 18.963 90; 90; 90 | 3275.4 | Balaji, Ganapathy; Valiyaveettil, Suresh Synthesis and properties of symmetric and unsymmetric dibenzothienopyrroles. Organic letters, 2009, 11, 3358-3361 |
1504064 | CIF | C25 H26 Br N O4 | P b c a | 17.103; 8.857; 29.744 90; 90; 90 | 4505.7 | Shintani, Ryo; Hayashi, Shin-ya; Murakami, Masataka; Takeda, Momotaro; Hayashi, Tamio Stereoselective synthesis of spirooxindoles by palladium-catalyzed decarboxylative cyclization of gamma-methylidene-delta-valerolactones with isatins. Organic letters, 2009, 11, 3754-3756 |
1504083 | CIF | C36 H52 N8 O8 | P b c a | 14.488; 18.236; 28.915 90; 90; 90 | 7639 | Kang, Sung Ok; Day, Victor W.; Bowman-James, Kristin The influence of amine functionalities on anion binding in polyamide-containing macrocycles. Organic letters, 2009, 11, 3654-3657 |
1504107 | CIF | C25 H28 N2 O3 | P b c a | 13.0902; 16.4023; 19.4869 90; 90; 90 | 4184 | Lin, Chi-Hui; Jhang, Jing-Fu; Yang, Ding-Yah One-pot synthesis of coumarin-based oxazabicyclic and oxazatricyclic compounds and their fluorescence redox switching properties. Organic letters, 2009, 11, 4064-4067 |
1504118 | CIF | C10 H9 N O2 S | P b c a | 9.4658; 10.2821; 19.9354 90; 90; 90 | 1940.28 | Palsuledesai, Charuta C.; Murru, Siva; Sahoo, Santosh K.; Patel, Bhisma K. Acyl-isothiocyanates as efficient thiocyanate transfer reagents. Organic letters, 2009, 11, 3382-3385 |
1504144 | CIF | C20 H14 | P b c a | 7.9296; 11.5575; 14.399 90; 90; 90 | 1319.6 | Isobe, Hiroyuki; Hitosugi, Shunpei; Matsuno, Taisuke; Iwamoto, Takeaki; Ichikawa, Junji Concise synthesis of halogenated chrysenes ([4]phenacenes) that favor pi-stack packing in single crystals. Organic letters, 2009, 11, 4026-4028 |
1504171 | CIF | C18 H24 O S | P b c a | 9.2519; 16.7091; 20.816 90; 90; 90 | 3218 | Liu, Taoping; Zhao, Xiaoming; Lu, Long; Cohen, Theodore Readily prepared 3-chloro-1-(phenylthio)propene, a versatile three-carbon annulating agent. Organic letters, 2009, 11, 4576-4579 |
1504236 | CIF | C15 H17 N O4 | P b c a | 9.03; 11.494; 26.562 90; 90; 90 | 2757 | Kise, Naoki; Isemoto, Shinsaku; Sakurai, Toshihiko Electroreductive coupling of phthalimides with alpha,beta-unsaturated esters: unusual rearrangement of resulting silyl ketene acetals. Organic letters, 2009, 11, 4902-4905 |
1504237 | CIF | C16 H19 N O4 | P b c a | 9.4786; 10.8076; 28.163 90; 90; 90 | 2885 | Kise, Naoki; Isemoto, Shinsaku; Sakurai, Toshihiko Electroreductive coupling of phthalimides with alpha,beta-unsaturated esters: unusual rearrangement of resulting silyl ketene acetals. Organic letters, 2009, 11, 4902-4905 |
1504246 | CIF | C39 H42 | P b c a | 10.8889; 18.2557; 30.536 90; 90; 90 | 6070.1 | Yang, Jye-Shane; Huang, Hsin-Hau; Liu, Yi-Hung; Peng, Shie-Ming Synthesis and electronic properties of isotruxene-derived star-shaped ladder-type oligophenylenes: bandgap tuning with two-dimensional conjugation. Organic letters, 2009, 11, 4942-4945 |
1504253 | CIF | C13 H12 N4 | P b c a | 17.055; 6.187; 22.305 90; 90; 90 | 2353.6 | Lee, Sanghee; Park, Seung Bum An efficient one-step synthesis of heterobiaryl pyrazolo[3,4-b]pyridines via indole ring opening. Organic letters, 2009, 11, 5214-5217 |
1504290 | CIF | C28 H32 N2 O3 | P b c a | 12.587; 12.897; 30.669 90; 90; 90 | 4979 | Shintani, Ryo; Murakami, Masataka; Tsuji, Takaoki; Tanno, Hideyuki; Hayashi, Tamio Palladium-catalyzed decarboxylative [4 + 3] cyclization of gamma-methylidene-delta-valerolactones with 1,1-dicyanocyclopropanes. Organic letters, 2009, 11, 5642-5645 |
1504316 | CIF | C9 H9 N O3 | P b c a | 16.163; 8.953; 22.95 90; 90; 90 | 3321 | Hansen, Marvin M.; Borders, Sandra S. K.; Clayton, Marcella T.; Heath, Perry C.; Kolis, Stanley P.; Larsen, Samuel D.; Linder, Ryan J.; Reutzel-Edens, Susan M.; Smith, Justin C.; Tameze, Shella L.; Ward, Jeffrey A.; Weigel, Leland O. Development of a Practical Synthesis of an Aminoindanol-Derived M1 Agonist† Organic Process Research & Development, 2009, 13, 198 |
1504319 | CIF | C9 H10 Cl N O | P b c a | 9.4251; 9.2575; 20.1686 90; 90; 90 | 1759.77 | Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L. Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?† Organic Process Research & Development, 2009, 13, 1231 |
1504320 | CIF | C11 H14 Cl N O | P b c a | 9.7381; 10.0151; 22.9501 90; 90; 90 | 2238.28 | Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L. Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?† Organic Process Research & Development, 2009, 13, 1231 |
1504323 | CIF | C7 H6 Br N O | P b c a | 10.848; 9.8017; 13.5375 90; 90; 90 | 1439.43 | Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L. Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?† Organic Process Research & Development, 2009, 13, 1231 |
1504334 | CIF | C17 H26 N4 O3 | P b c a | 10.2548; 17.3996; 21.2408 90; 90; 90 | 3790 | Shaabani, Ahmad; Maleki, Ali; Mofakham, Hamid Novel Multicomponent One-Pot Synthesis of Tetrahydro-1H-1,5-benzodiazepine-2-carboxamide Derivatives Journal of Combinatorial Chemistry, 2008, 10, 595 |
1504366 | CIF | C16 H8 F6 N2 O | P b c a | 15.064; 5.9041; 32.08 90; 90; 90 | 2853.2 | Landis, Chad A.; Dhar, Bal Mukund; Lee, Taegweon; Sarjeant, Amy; Katz, Howard E. Syntheses, Solid State Structures, and Electrical Properties of Oxadiazole-Based Oligomers with Perfluorinated Endgroups Journal of Physical Chemistry C, 2008, 112, 7939 |
1504407 | CIF | C6 H16 Cu2 N4 O6 | P b c a | 8.3395; 8.5023; 17.1507 90; 90; 90 | 1216.07 | Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions. The journal of physical chemistry. A, 2008, 112, 9050-9067 |
1504408 | CIF | C6 H16 Cu2 N4 O6 | P b c a | 8.3459; 8.5084; 17.1684 90; 90; 90 | 1219.13 | Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions. The journal of physical chemistry. A, 2008, 112, 9050-9067 |
1504430 | CIF | C24 H19 B Cl2 I2 N2 O | P b c a | 16.7466; 20.0392; 29.3774 90; 90; 90 | 9858.7 | Nagata, Yuuya; Chujo, Yoshiki Main-Chain-TypeN,N′-Chelate Organoboron Aminoquinolate Polymers: Synthesis, Luminescence, and Energy Transfer Behavior Macromolecules, 2008, 41, 3488 |
1504524 | CIF | C17 H18 Br4 | P b c a | 6.3174; 23.129; 24.546 90; 90; 90 | 3586.5 | Spantulescu, Andreea; Luu, Thanh; Zhao, Yuming; McDonald, Robert; Tykwinski, Rik R. Synthesis and characterization of cyclic alkyl tetraynes. Organic letters, 2008, 10, 609-612 |
1504557 | CIF | C27 H26 B N O3 Si | P b c a | 9.1369; 20.4629; 25.729 90; 90; 90 | 4810.5 | Yasuda, Makoto; Yoshioka, Sachiko; Nakajima, Hideto; Chiba, Kouji; Baba, Akio Fine-tuning of boron complexes with cage-shaped ligand geometry: rational design of triphenolic ligand as a template for structure control. Organic letters, 2008, 10, 929-932 |
1504593 | CIF | C23 H22 O S | P b c a | 11.0748; 13.0716; 25.1947 90; 90; 90 | 3647.32 | Lohier, Jean-François; Foucoin, Florian; Jaffrès, Paul-Alain; Garcia, José I; Sopková-de Oliveira Santos, Jana; Perrio, Stéphane; Metzner, Patrick An efficient and straightforward access to sulfur substituted [2.2]paracyclophanes: application to stereoselective sulfenate salt alkylation. Organic letters, 2008, 10, 1271-1274 |
1504596 | CIF | C34 H35 N4 O4.5 | P b c a | 13.6561; 16.409; 26.0092 90; 90; 90 | 5828.2 | Hu, Hai-Yu; Xiang, Jun-Feng; Yang, Yong; Chen, Chuan-Feng Chiral induction in phenanthroline-derived oligoamide foldamers: an acid- and base-controllable switch in helical molecular strands. Organic letters, 2008, 10, 1275-1278 |
1504607 | CIF | C17 H20 N2 O2 | P b c a | 13.7887; 8.2013; 25.4017 90; 90; 90 | 2872.56 | Magolan, Jakob; Carson, Cheryl A.; Kerr, Michael A. Total synthesis of (+/-)-mersicarpine. Organic letters, 2008, 10, 1437-1440 |
1504717 | CIF | C22 H27 N O2 | P b c a | 6.8324; 22.8044; 23.4492 90; 90; 90 | 3653.6 | Rudkin, Mairi E.; Joensuu, Pekka M.; MacLachlan, William S.; Lam, Hon Wai Diastereoselective cobalt-catalyzed alkylative aldol cyclizations using trialkylaluminum reagents. Organic letters, 2008, 10, 2939-2942 |
1504726 | CIF | C19 H16 O6 | P b c a | 9.9608; 9.8561; 33.131 90; 90; 90 | 3252.6 | Wilsily, Ashraf; Fillion, Eric Asymmetric synthesis of carboxylic acid derivatives having an all-carbon alpha-quaternary center through Cu-catalyzed 1,4-addition of dialkylzinc reagents to 2-aryl acetate derivatives. Organic letters, 2008, 10, 2801-2804 |
1504878 | CIF | C16 H23 N O2 | P b c a | 6.4956; 18.0854; 24.885 90; 90; 90 | 2923.4 | Duan, Haifeng; Sun, Xiaohua; Liao, Wenyan; Petersen, Jeffrey L.; Shi, Xiaodong Proline as Lewis base catalyst: diastereoselective synthesis of isoxazoline-N-oxide through [3 + 2] cycloaddition. Organic letters, 2008, 10, 4113-4116 |
1504960 | CIF | C20 H14 N4 O | P b c a | 38.946; 10.7963; 7.8297 90; 90; 90 | 3292.2 | Liu, Yuxiu; Yan, Wuming; Chen, Yunfeng; Petersen, Jeffrey L.; Shi, Xiaodong Efficient synthesis of N-2-aryl-1,2,3-triazole fluorophores via post-triazole arylation. Organic letters, 2008, 10, 5389-5392 |
1504969 | CIF | C29 H28 Cl3 O2 P2 Rh | P b c a | 16.4539; 13.1086; 26.12 90; 90; 90 | 5633.8 | Kashiwabara, Taigo; Fuse, Kouichiro; Hua, Ruimao; Tanaka, Masato Rhodium-complex-catalyzed addition reactions of chloroacetyl chlorides to alkynes. Organic letters, 2008, 10, 5469-5472 |
1504984 | CIF | C6 H3 F7 N2 | P b c a | 9.823; 7.302; 23.688 90; 90; 90 | 1699.1 | Lu, Changqing; VanDerveer, Don; DesMarteau, Darryl D. Fluoroalkylation of imidazoles by hypervalent iodonium salts. Organic letters, 2008, 10, 5565-5568 |
1505028 | CIF | C23 H36 Cl Cu N5 O8 | P b c a | 21.134; 10.7258; 23.111 90; 90; 90 | 5238.8 | Sprague, Jennifer E.; Peng, Yijie; Fiamengo, Ashley L.; Woodin, Katrina S.; Southwick, Evan A.; Weisman, Gary R.; Wong, Edward H.; Golen, James A.; Rheingold, Arnold L.; Anderson, Carolyn J. Synthesis, characterization and in vivo studies of Cu(II)-64-labeled cross-bridged tetraazamacrocycle-amide complexes as models of peptide conjugate imaging agents. Journal of medicinal chemistry, 2007, 50, 2527-2535 |
1505062 | CIF | C12 H18 N2 O4 S | P b c a | 25.654; 10.4439; 10.2801 90; 90; 90 | 2754.3 | Nockemann, Peter; Thijs, Ben; Driesen, Kris; Janssen, Colin R.; Van Hecke, Kristof; Van Meervelt, Luc; Kossmann, Simone; Kirchner, Barbara; Binnemans, Koen Choline saccharinate and choline acesulfamate: ionic liquids with low toxicities. The journal of physical chemistry. B, 2007, 111, 5254-5263 |
1505168 | CIF | C31 H20 O4 | P b c a | 13.8475; 16.2027; 19.3485 90; 90; 90 | 4341.2 | Al-Kaysi, Rabih O.; Dillon, Robert J.; Kaiser, J. Michael; Mueller, Leonard J.; Guirado, Gonzalo; Bardeen, Christopher J. Photopolymerization of Organic Molecular Crystal Nanorods Macromolecules, 2007, 40, 9040 |
1505266 | CIF | C15 H20 Cl2 Ir N O | P b c a | 14.1344; 14.996; 15.2331 90; 90; 90 | 3228.8 | Fujita, Ken-ichi; Tanino, Nobuhide; Yamaguchi, Ryohei Ligand-promoted dehydrogenation of alcohols catalyzed by Cp*Ir complexes. A new catalytic system for oxidant-free oxidation of alcohols. Organic letters, 2007, 9, 109-111 |
1505273 | CIF | C16 H19 N O4 | P b c a | 10.9278; 10.6803; 24.621 90; 90; 90 | 2873.6 | Souweha, Michael Santos; Arab, Akram; ApSimon, Megan; Fallis, Alex G. Diene-transmissive cycloadditions: control of monocycloaddition by self-assembly on a Lewis acid template. Organic letters, 2007, 9, 615-618 |
1505451 | CIF | C14 H17 N O2 | P b c a | 17.4562; 15.5902; 17.8949 90; 90; 90 | 4870 | Murphy, John A.; Mahesh, Mohan; McPheators, Gary; Anand, R. Vijaya; McGuire, Thomas M.; Carling, Robert; Kennedy, Alan R. Fragmentation of nitrone triflates to 9-membered rings. Organic letters, 2007, 9, 3233-3236 |
1505466 | CIF | C15 H14 Br N O4 | P b c a | 9.907; 16.144; 17.827 90; 90; 90 | 2851.2 | Henry, Christopher E.; Kwon, Ohyun Phosphine-catalyzed synthesis of highly functionalized coumarins. Organic letters, 2007, 9, 3069-3072 |
1505503 | CIF | C17 H18 O3 | P b c a | 10.0439; 9.8777; 27.4151 90; 90; 90 | 2719.9 | Lim, Choongmin; Kang, Ji-Eun; Lee, Ji-Eun; Shin, Seunghoon Gold-catalyzed tandem C-C and C-O bond formation: a highly diastereoselective formation of cyclohex-4-ene-1,2-diol derivatives. Organic letters, 2007, 9, 3539-3542 |
1505523 | CIF | C15 H17 Cl O2 | P b c a | 15.9739; 8.89; 18.522 90; 90; 90 | 2630.3 | Grant, Tina N.; West, F. G. Interrupted nazarov reactions using dichlorocyclopropanes: a novel mode of arene trapping. Organic letters, 2007, 9, 3789-3792 |
1505556 | CIF | C21 H29 I N O2 | P b c a | 14.5524; 16.6177; 16.8513 90; 90; 90 | 4075.11 | Sunderhaus, James D.; Dockendorff, Chris; Martin, Stephen F. Applications of multicomponent reactions for the synthesis of diverse heterocyclic scaffolds. Organic letters, 2007, 9, 4223-4226 |
1505582 | CIF | C7 H12 Cl N O2 | P b c a | 10.4278; 8.5518; 19.106 90; 90; 90 | 1703.8 | Rawal, Girish K.; Kumar, Amit; Tawar, Urmila; Vankar, Yashwant D. New method for chloroamidation of olefins. Application in the synthesis of N-glycopeptides and anticancer agents. Organic letters, 2007, 9, 5171-5174 |
1505599 | CIF | C15 H15 N O | P b c a | 8.0935; 8.065; 35.0669 90; 90; 90 | 2288.96 | Bissember, Alex C.; Phillis, Andrew T.; Banwell, Martin G.; Willis, Anthony C. Base-promoted reactions of dichlorocarbene adducts of cyclic enamines: a new route to annulated pyrroles. Organic letters, 2007, 9, 5421-5424 |
1505627 | CIF | C20 H24 Cl N3 O2 | P b c a | 12.1354; 10.5342; 29.4482 90; 90; 90 | 3764.56 | Yoshimitsu, Takehiko; Matsuda, Kenichi; Nagaoka, Hiroto; Tsukamoto, Koji; Tanaka, Tetsuaki Radical fixation of functionalized carbon resources: alpha-sp3C-H carbamoylation of tertiary amines with aryl isocyanates. Organic letters, 2007, 9, 5115-5118 |
1505632 | CIF | C17 H20 N2 O2 | P b c a | 18.61; 7.6918; 20.026 90; 90; 90 | 2866.6 | Ribelin, Timothy P.; Judd, Andrew S.; Akritopoulou-Zanze, Irini; Henry, Rodger F.; Cross, Jeffrey L.; Whittern, David N.; Djuric, Stevan W. Concise construction of novel bridged bicyclic lactams by sequenced Ugi/RCM/Heck reactions. Organic letters, 2007, 9, 5119-5122 |
1505750 | CIF | C36 H40 Cl6 N6 O23 Pt3 Y2 | P b c a | 18.068; 19.887; 28.316 90; 90; 90 | 10174 | Szeto, Kai Chung; Lillerud, Karl Petter; Tilset, Mats; Bjørgen, Morten; Prestipino, Carmelo; Zecchina, Adriano; Lamberti, Carlo; Bordiga, Silvia A thermally stable Pt/Y-based metal-organic framework: Exploring the accessibility of the metal centers with spectroscopic methods using H2O, CH3OH, and CH3CN as probes. The journal of physical chemistry. B, 2006, 110, 21509-21520 |
1505755 | CIF | C7 H12 F6 N2 O6 S2 | P b c a | 23.4721; 10.2027; 25.5957 90; 90; 90 | 6129.6 | Nockemann, Peter; Thijs, Ben; Pittois, Stijn; Thoen, Jan; Glorieux, Christ; Van Hecke, Kristof; Van Meervelt, Luc; Kirchner, Barbara; Binnemans, Koen Task-specific ionic liquid for solubilizing metal oxides. The journal of physical chemistry. B, 2006, 110, 20978-20992 |
1505770 | CIF | C71 H85 Cl3 O4 | P b c a | 16.6918; 20.6408; 37.0204 90; 90; 90 | 12754.7 | Yang, Yong; Swager, Timothy M. Main-Chain Calixarene Polymers: Conformational Effects on Polymerization Macromolecules, 2006, 39, 2013 |
1505808 | CIF | C10 H10 Br N O2 | P b c a | 12.3702; 8.451; 19.563 90; 90; 90 | 2045.1 | Suárez-Castillo, Oscar R; Beiza-Granados, Lidia; Meléndez-Rodríguez, Myriam; Alvarez-Hernández, Alejandro; Morales-Ríos, Martha S; Joseph-Nathan, Pedro Synthesis of bromoindole alkaloids from Laurencia brongniartii. Journal of natural products, 2006, 69, 1596-1600 |
1505845 | CIF | C14 H15 N O4 | P b c a | 15.469; 7.263; 22.129 90; 90; 90 | 2486.2 | Jung, Cheol-Kyu; Garner, Susan A.; Krische, Michael J. Hydrogen-mediated aldol reductive coupling of vinyl ketones catalyzed by rhodium: high syn-selectivity through the effect of tri-2-furylphosphine. Organic letters, 2006, 8, 519-522 |
1505856 | CIF | C22 H19 Cr N O5 | P b c a | 14.681; 14.7727; 37.15 90; 90; 90 | 8057 | Kamikawa, Ken; Kinoshita, Shunsuke; Matsuzaka, Hiroyuki; Uemura, Motokazu Stereoselective synthesis of axially chiral N-C bonds in N-aryl indoles. Organic letters, 2006, 8, 1097-1100 |
1505900 | CIF | C21 H22 N10 | P b c a | 8.717; 21.365; 23.39 90; 90; 90 | 4356.1 | Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state. Organic letters, 2006, 8, 1577-1579 |
1505954 | CIF | C18 H24 O3 S | P b c a | 10.4474; 13.7791; 23.7993 90; 90; 90 | 3426 | Chen, Wenbo; Zhao, Xiaoming; Lu, Long; Cohen, Theodore 2-Phenylthio-3-bromopropene, a valuable synthon, easily prepared by a simple rearrangement. Organic letters, 2006, 8, 2087-2090 |
1505989 | CIF | C17 H16 N2 O | P b c a | 8.178; 12.3849; 25.8621 90; 90; 90 | 2619.41 | Ellis-Holder, Keisha K; Peppers, Brian P.; Kovalevsky, Andrei Yu; Diver, Steven T. Macrocycle ring expansion by double Stevens rearrangement. Organic letters, 2006, 8, 2511-2514 |
1506040 | CIF | C19 H20 O4 | P b c a | 16.779; 23.256; 8.243 90; 90; 90 | 3216.5 | Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation. Organic letters, 2006, 8, 3029-3032 |
1506047 | CIF | C20 H32 O3 Si | P b c a | 10.2128; 14.5819; 26.706 90; 90; 90 | 3977.1 | Thornton, Paul D.; Burnell, D. Jean A Pauson-Khand and ring-expansion approach to the aquariane ring system. Organic letters, 2006, 8, 3195-3198 |
1506049 | CIF | C7 H11 Br I N O | P b c a | 7.9917; 10.5745; 23.462 90; 90; 90 | 1982.7 | Hu, Tianshun; Shen, Meihua; Chen, Qian; Li, Chaozhong Pushing radical cyclization from regioselective to regiospecific: cyclization of amidyl radicals controlled by vinylic halogen substitution. Organic letters, 2006, 8, 2647-2650 |
1506050 | CIF | C7 H11 I2 N O | P b c a | 8.0936; 10.7502; 23.5836 90; 90; 90 | 2052 | Hu, Tianshun; Shen, Meihua; Chen, Qian; Li, Chaozhong Pushing radical cyclization from regioselective to regiospecific: cyclization of amidyl radicals controlled by vinylic halogen substitution. Organic letters, 2006, 8, 2647-2650 |
1506104 | CIF | C14 H12 B N3 | P b c a | 15.42; 6.561; 23.85 90; 90; 90 | 2412.9 | Wood, Thomas K.; Piers, Warren E.; Keay, Brian A.; Parvez, Masood 1-Borabarrelene derivatives via Diels-Alder additions to borabenzenes. Organic letters, 2006, 8, 2875-2878 |
1506131 | CIF | C24 H31 N O3 | P b c a | 21.57; 8.3502; 23.271 90; 90; 90 | 4191.4 | Hogan, Anne-Marie L; O'Shea, Donal F Regioselective carbolithiation of o-amino-(E)-stilbenes: cascade route to the quinoline scaffold. Organic letters, 2006, 8, 3769-3772 |
1506143 | CIF | C14 H11 N3 O | P b c a | 10.5307; 7.9709; 29.396 90; 90; 90 | 2467.5 | Mandel, Sarah M.; Singh, Pradeep N. D.; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Krause, Jeanette A.; Gudmundsdóttir, Anna D Solid-state photolysis of alpha-azidoacetophenones. Organic letters, 2006, 8, 4207-4210 |
1506144 | CIF | C14 H11 N3 O | P b c a | 5.9414; 14.8154; 26.69 90; 90; 90 | 2349.4 | Mandel, Sarah M.; Singh, Pradeep N. D.; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Krause, Jeanette A.; Gudmundsdóttir, Anna D Solid-state photolysis of alpha-azidoacetophenones. Organic letters, 2006, 8, 4207-4210 |
1506261 | CIF | C12 H19 N O2 | P b c a | 11.177; 14.03; 14.477 90; 90; 90 | 2270.2 | Gu, Peiming; Zhao, Yu-Ming; Tu, Yong Qiang; Ma, Yufei; Zhang, Fumin Tandem semipinacol/Schmidt reaction leading to a versatile and efficient approach to azaquaternary alkaloid skeletons. Organic letters, 2006, 8, 5271-5273 |
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 |
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 |
1506476 | CIF | C11 H8 Br2 O3 | P b c a | 10.3322; 11.1219; 19.0191 90; 90; 90 | 2185.56 | Pelphrey, Phillip; Jasinski, Jerry; Butcher, Ray J.; Wright, Dennis L. Oxabicyclo[3.2.1]octane derivatives as highly reactive dienophiles: synthesis of bicyclo[5.n.0] systems. Organic letters, 2005, 7, 423-425 |
1506514 | CIF | C20 H18 | P b c a | 10.7905; 7.675; 17.5436 90; 90; 90 | 1452.9 | Lunazzi, Lodovico; Mazzanti, Andrea; Minzoni, Mirko; Anderson, J. Edgar Structure, conformation, and dynamic processes of the stereolabile atropisomers of hindered terphenyl hydrocarbons. Organic letters, 2005, 7, 1291-1294 |
1506521 | CIF | C20 H15 N3 O | P b c a | 22.607; 5.3689; 24.359 90; 90; 90 | 2956.6 | Davis, Riju; Tamaoki, Nobuyuki Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene. Organic letters, 2005, 7, 1461-1464 |
1506550 | CIF | C9 H14 O4 | P b c a | 9.9387; 11.7542; 15.485 90; 90; 90 | 1809 | Aspinall, Helen C.; Greeves, Nicholas; Valla, Carine Samarium diiodide-catalyzed diastereoselective pinacol couplings. Organic letters, 2005, 7, 1919-1922 |
1506565 | CIF | C12 H18 N2 O2 | P b c a | 7.6969; 9.6905; 16.428 90; 90; 90 | 1225.3 | Hu, Tianshun; Li, Chaozhong Synthesis of lactams via copper-catalyzed intramolecular vinylation of amides. Organic letters, 2005, 7, 2035-2038 |
1506567 | CIF | C79 Cl9 N | P b c a | 16.844; 19.929; 26.869 90; 90; 90 | 9019 | Pham, David; Cerón Bertran, Jordi; Olmstead, Marilyn M.; Mascal, Mark; Balch, Alan L. Interaction of fullerenes with the concave surfaces of perchloroazatriquinacene. Organic letters, 2005, 7, 2805-2808 |
1506587 | CIF | C18 H30 O6 | P b c a | 11.739; 9.94; 31.993 90; 90; 90 | 3733.12 | Denekamp, C.; Gottlieb, L.; Tamiri, T.; Tsoglin, A.; Shilav, R.; Kapon, M. Two separable conformers of TATP and analogues exist at room temperature. Organic letters, 2005, 7, 2461-2464 |
1506617 | CIF | C20 H21 N O5 S | P b c a | 15.9518; 12.6973; 19.0989 90; 90; 90 | 3868.4 | Shi, Yong-Ling; Shi, Min DABCO-catalyzed reaction of allenic esters and ketones with salicyl N-tosylimines: synthesis of highly functionalized chromenes. Organic letters, 2005, 7, 3057-3060 |
1506692 | CIF | C9 H14 O3 | P b c a | 5.9697; 13.3048; 22.401 90; 90; 90 | 1779.2 | Muthusamy, Sengodagounder; Gnanaprakasam, Boopathy; Suresh, Eringathodi Regioselective nucleophilic addition to carbonyl ylide intermediates: a novel diastereoselective synthesis of cycloalkyl fused furan-3-ones. Organic letters, 2005, 7, 4577-4580 |
1506698 | CIF | C15 H20 O3 | P b c a | 9.0996; 11.5389; 25.785 90; 90; 90 | 2707.4 | Lam, Hon Wai; Joensuu, Pekka M. Cu(I)-catalyzed reductive aldol cyclizations: diastereo- and enantioselective synthesis of beta-hydroxylactones. Organic letters, 2005, 7, 4225-4228 |
1506711 | CIF | C16 H15 F6 N O4 S | P b c a | 17.1855; 8.6653; 24.9779 90; 90; 90 | 3719.6 | Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J. [2]pseudorotaxane formation with N-benzylanilinium axles and 24-crown-8 ether wheels. Organic letters, 2005, 7, 4923-4926 |
1506722 | CIF | C15 H18 N2 O4 | P b c a | 8.5596; 11.4819; 26.25 90; 90; 90 | 2579.9 | Blakemore, Paul R.; Kilner, Colin; Norcross, Neil R.; Astles, Peter C. A practical synthesis of (+/-)-alpha-isosparteine from a tetraoxobispidine core. Organic letters, 2005, 7, 4721-4724 |
1506759 | CIF | C19 H19 N O2 | P b c a | 10.162; 11.205; 27.271 90; 90; 90 | 3105.2 | Xue, Dong; Chen, Ying-Chun; Wang, Qi-Wei; Cun, Ling-Feng; Zhu, Jin; Deng, Jin-Gen Asymmetric direct vinylogous Michael reaction of activated alkenes to nitroolefins catalyzed by modified cinchona alkaloids. Organic letters, 2005, 7, 5293-5296 |
1506802 | CIF | C14 H12 N4 O4 S | P b c a | 8.11; 17.9243; 21.3183 90; 90; 90 | 3099 | Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels Journal of Combinatorial Chemistry, 2004, 6, 928 |
1506822 | CIF | C16 F8 N4 | P b c a | 10.411; 13.338; 21.948 90; 90; 90 | 3047.7 | Hibbs, David E.; Overgaard, Jacob; Platts, James A.; Waller, Mark P.; Hursthouse, Michael B. Experimental and Theoretical Charge Density Studies of Tetrafluorophthalonitrile and Tetrafluoroisophthalonitrile The Journal of Physical Chemistry B, 2004, 108, 3663 |
1506840 | CIF | C12 H52 Al2 N8 O21 P4 | P b c a | 17.6569; 15.4289; 25.5819 90; 90; 90 | 6969.2 | Loiseau, Thierry; Beitone, Lionel; Millange, Franck; Taulelle, Francis; O'Hare, Dermot; Férey, Gérard Observation and Reactivity of the Chainlike Species ([Al(PO4)2]3-)nduring the X-ray Diffraction Investigation of the Hydrothermal Synthesis of the Super-sodalite Sodium Aluminophosphate MIL-74 (Na2Al7(PO4)12·4trenH3·Na(H2O)16) The Journal of Physical Chemistry B, 2004, 108, 20020 |
1506858 | CIF | C18 H20 I2 O2 | P b c a | 8.0944; 13.7017; 16.9431 90; 90; 90 | 1879.11 | Englert, Brian C.; Smith, Mark D.; Hardcastle, Kenneth I.; Bunz, Uwe H. F. Jacketed Poly(p-phenyleneethynylene)s: Nonaggregating Conjugated Polymers as Blue-Emitting Rods Macromolecules, 2004, 37, 8212 |
1506862 | CIF | C62 H124 Cl2 P8 Pd2 Pt2 | P b c a | 21.303; 38.332; 19.564 90; 90; 90 | 15976 | Onitsuka, Kiyotaka; Yabe, Ken-ichiro; Ohshiro, Nobuaki; Shimizu, Atsushi; Okumura, Reiko; Takei, Fumie; Takahashi, Shigetoshi Di- and Trifunctional Initiators Containing Pt−Pd μ-Ethynediyl Units for Living Polymerization of Aryl Isocyanides Macromolecules, 2004, 37, 8204 |
1506889 | CIF | C14 H15 N3 | P b c a | 10.819; 9.869; 22.487 90; 90; 90 | 2401 | Benati, Luisa; Bencivenni, Giorgio; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Scialpi, Rosanna; Spagnolo, Piero; Zanardi, Giuseppe; Rizzoli, Corrado Cyclizations of N-stannylaminyl radicals onto nitriles. Organic letters, 2004, 6, 417-420 |
1506904 | CIF | C28 H33 N3 O4 Si | P b c a | 14.8764; 13.5218; 27.438 90; 90; 90 | 5519.3 | Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V. Oxidative rearrangement of imidazoles with dimethyldioxirane. Organic letters, 2004, 6, 735-738 |
1506935 | CIF | C26 H31 N Si | P b c a | 11.17; 16.42; 24.14 90; 90; 90 | 4428 | Yagi, Kazunari; Shinokubo, Hiroshi; Oshima, Koichiro Synthesis of silyl aziridines and alpha-amino acylsilanes with silyldibromomethyllithium. Organic letters, 2004, 6, 4339-4341 |
1506942 | CIF | C33 H28 | P b c a | 8.8482; 17.6806; 29.5631 90; 90; 90 | 4624.9 | Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K. Synthesis and structure of a helical diindenophenanthrene with four congested phenyl substituents as a molecular spiral staircase. Organic letters, 2004, 6, 4355-4357 |
1506991 | CIF | C37 H42 Cl9 S Sb | P b c a | 21.228; 13.527; 27.025 90; 90; 90 | 7760 | Yamazaki, Daisuke; Nishinaga, Tohru; Komatsu, Koichi Radical cation of dibenzothiophene fully annelated with bicyclo[2.2.2]octene units: X-ray crystal structure and electronic properties. Organic letters, 2004, 6, 4179-4182 |
1507023 | CIF | C26 H26 Si2 | P b c a | 6.75; 16.542; 20.635 90; 90; 90 | 2304 | Xu, Caihong; Wakamiya, Atsushi; Yamaguchi, Shigehiro General silaindene synthesis based on intramolecular reductive cyclization toward new fluorescent silicon-containing pi-electron materials. Organic letters, 2004, 6, 3707-3710 |
1507042 | CIF | C26 H28 O5 | P b c a | 9.7408; 17.4668; 25.7256 90; 90; 90 | 4377 | Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R. Horning-crown macrocycles: novel hybrids of calixarenes and crown ethers. Organic letters, 2004, 6, 3261-3264 |
1507095 | CIF | C42 H53 N3 O4 S | P b c a | 10.646; 18.82; 40.113 90; 90; 90 | 8037 | Kim, Su Jeong; Jo, Moon-Gi; Lee, Jin Yong; Kim, Byeang Hyean Hydrogen bonding patterns of calix[4]arenes with thiourea functionalities in solution and in the solid state. Organic letters, 2004, 6, 1963-1966 |
1507163 | CIF | C34 H22 B F15 Si2 | P b c a | 13.0955; 18.5015; 28.2301 90; 90; 90 | 6839.8 | Liedtke, René; Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard 1,1-carboboration route to substituted naphthalenes. Organic letters, 2012, 14, 1448-1451 |
1507164 | CIF | C36 H26 B F15 Si2 | P b c a | 12.8769; 18.9861; 29.5893 90; 90; 90 | 7234.1 | Liedtke, René; Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard 1,1-carboboration route to substituted naphthalenes. Organic letters, 2012, 14, 1448-1451 |
1507171 | CIF | C16 H18 O S | P b c a | 8.3435; 13.8536; 23.2107 90; 90; 90 | 2682.87 | Arai, Noriyoshi; Tanaka, Koichiro; Ohkuma, Takeshi Novel Intramolecular Photocyclization of α-Arylthiophene Derivatives. Organic letters, 2012, 14, 1488-1491 |
1507241 | CIF | C19 H20 Cl2 Cu N4 O | P b c a | 14.036; 16.258; 17.012 90; 90; 90 | 3882.1 | Stibrany, Robert T.; Schulz, Donald N.; Kacker, Smita; Patil, Abhimanyu O.; Baugh, Lisa S.; Rucker, Steven P.; Zushma, Stephen; Berluche, Enock; Sissano, Joseph A. Polymerization and Copolymerization of Olefins and Acrylates by Bis(benzimidazole) Copper Catalysts Macromolecules, 2003, 36, 8584 |
1507269 | CIF | C57 H26 Co F15 N5 P | P b c a | 25.451; 13.456; 28.128 90; 90; 90 | 9633 | Simkhovich, Liliya; Goldberg, Israel; Gross, Zeev Easy preparation of cobalt corrole and hexaphyrin and isolation of new oligopyrroles in the solvent-free condensation of pyrrole with pentafluorobenzaldehyde. Organic letters, 2003, 5, 1241-1244 |
1507328 | CIF | C13 H15 N O3 | P b c a | 12.4162; 7.6844; 26.1667 90; 90; 90 | 2496.59 | Pigge, F. Christopher; Coniglio, John J.; Rath, Nigam P. Oxidative demetalation of cyclohexadienyl ruthenium(II) complexes: a net Ru-mediated dearomatization. Organic letters, 2003, 5, 2011-2014 |
1507333 | CIF | C38 H24 | P b c a | 16.252; 15.611; 20.917 90; 90; 90 | 5307 | Deaton, Kimberly R.; Gin, Mary S. Regioselective [2 + 2 + 2] cycloaddition of a nickel-benzyne complex with 1,3-diynes. Organic letters, 2003, 5, 2477-2480 |
1507345 | CIF | C32 H26 F12 N4 | P b c a | 22.7324; 9.6336; 26.7417 90; 90; 90 | 5856.3 | Hayashi, Takashi; Nakashima, Yuji; Ito, Kazuyuki; Ikegami, Takahiro; Aritome, Isao; Suzuki, Akihiro; Hisaeda, Yoshio Synthesis, structure, and chemical property of the first fluorine-containing porphycene. Organic letters, 2003, 5, 2845-2848 |
1507368 | CIF | C19 H25 N O5 | P b c a | 12.774; 10.955; 25.097 90; 90; 90 | 3512 | Booker-Milburn, Kevin I; Jenkins, Helen; Charmant, Jonathan P. H.; Mohr, Peter Synthesis of the reported structure of pogostol and a total aynthesis of (+/-)-kessane without the use of protecting groups. Organic letters, 2003, 5, 3309-3312 |
1507380 | CIF | C17 H24 N2 O2 | P b c a | 16.862; 11.0458; 16.9723 90; 90; 90 | 3161.16 | Bon, Robin S.; Hong, Chongen; Bouma, Marinus J.; Schmitz, Rob F.; de Kanter, Frans J. J.; Lutz, Martin; Spek, Anthony L.; Orru, Romano V. A. Novel multicomponent reaction for the combinatorial synthesis of 2-imidazolines. Organic letters, 2003, 5, 3759-3762 |
1507520 | CIF | C13 H12 O3 | P b c a | 8.1348; 12.0317; 20.4322 90; 90; 90 | 1999.81 | Harmata, Michael; Rashatasakhon, Paitoon A 4 + 3 Cycloaddition Approach to the Synthesis of Spatol. A Formal Total Synthesis of Racemic Spatol Organic Letters, 2001, 3, 2533 |
1507536 | CIF | C17 H21 N O4 S | P b c a | 43.138; 9.07; 8.544 90; 90; 90 | 3342.9 | Bommezijn, Sacha; Martin, Concepcion Gonzalez; Kennedy, Alan R.; Lizos, Dimitrios; Murphy, John A. 1,4-Pentadienyl-3-sulfonamides: Frameworks for “Disfavored” Radical Cascade Cyclizations Organic Letters, 2001, 3, 3405 |
1507613 | CIF | C14 H15 N O5 S | P b c a | 11.0852; 7.9804; 31.3518 90; 90; 90 | 2773.52 | Grainger, Richard S.; Betou, Marie; Male, Louise; Pitak, Mateusz B.; Coles, Simon J. Semipinacol Rearrangement of Cis-Fused β-Lactam Diols into Keto-Bridged Bicyclic Lactams. Organic letters, 2012, 14, 2234-2237 |
1507641 | CIF | C7 H6 Br N O | P b c a | 10.8222; 9.7805; 13.6084 90; 90; 90 | 1440.4 | Zhang, Chun; Xu, Zejun; Shen, Tao; Wu, Guolin; Zhang, Liangren; Jiao, Ning Mn-promoted Aerobic Oxidative C-C Bond Cleavage of Aldehydes with Dioxygen Activation: A Simple Synthetic Approach to Formamides. Organic letters, 2012, 14, 2362-2365 |
1507644 | CIF | C22 H22 O5 | P b c a | 8.28074; 10.78047; 41.173 90; 90; 90 | 3675.52 | Shintani, Ryo; Ito, Tomoaki; Hayashi, Tamio Palladium-Catalyzed Synthesis of 4-Oxaspiro[2.4]heptanes via Central Attack of Oxygen Nucleophiles to π-Allylpalladium Intermediates. Organic letters, 2012, 14, 2410-2413 |
1507689 | CIF | C32 H44 B N5 O | P b c a | 15.4372; 18.7975; 21.1721 90; 90; 90 | 6143.7 | Merling, Everett; Lamm, Vladimir; Geib, Steven J.; Lacôte, Emmanuel; Curran, Dennis P. [3 + 2]-dipolar cycloaddition reactions of an N-heterocyclic carbene boryl azide. Organic letters, 2012, 14, 2690-2693 |
1507733 | CIF | C24 H33 N3 O2 | P b c a | 10.132; 15.1023; 28.17 90; 90; 90 | 4310.5 | Yagishita, Fumitoshi; Mino, Takashi; Fujita, Tsutomu; Sakamoto, Masami Two-step asymmetric reaction using the frozen chirality generated by spontaneous crystallization. Organic letters, 2012, 14, 2638-2641 |
1507887 | CIF | C21 H25 N2 O4 | P b c a | 12.321; 14.075; 23.143 90; 90; 90 | 4013 | Li, Liang; Zhao, Mi-Na; Ren, Zhi-Hui; Li, Jian-Li; Guan, Zheng-Hui Cu(OAc)2/TFA-promoted formal [3 + 3] cycloaddition/oxidation of enamines and enones for synthesis of multisubstituted aromatic amines. Organic letters, 2012, 14, 3506-3509 |
1507889 | CIF | C23 H22 Br N O3 S | P b c a | 13.4194; 11.6002; 26.589 90; 90; 90 | 4139 | Yin, Qin; You, Shu-Li Intramolecular alkene electrophilic bromination initiated ipso-bromocyclization for the synthesis of functionalized azaspirocyclohexadienones. Organic letters, 2012, 14, 3526-3529 |
1508046 | CIF | C37 H57 Fe P3 Si | P b c a | 16.0034; 17.018; 26.118 90; 90; 90 | 7113.1 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
1508047 | CIF | C68 H66 B F24 Fe N2 P3 Si | P b c a | 26.3222; 19.5893; 27.3174 90; 90; 90 | 14085.8 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
1508048 | CIF | C36 H54 Fe N2 P3 Si | P b c a | 16.085; 17.133; 25.58 90; 90; 90 | 7049 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
1508220 | CIF | C20 H22 Cu N3 Na O5 S | P b c a | 13.1161; 13.6814; 24.0413 90; 90; 90 | 4314.1 | Bhowmika, Prasanta; Janaa, Subrata; Janab, Partha Pratim; Harmsb, Klaus; Chattopadhyay, Shouvik Anion mediated diversity in the H-bonded assembly of a series of heteronuclear copper(II)/sodium(I) compounds Inorganica Chimica Acta, 2012, 390, 53-60 |
1508427 | CIF | C7 H15 N7 | P b c a | 5.9696; 16.7493; 19.0799 90; 90; 90 | 1907.73 | Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig 1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates Crystals, 2012, 2, 96-104 |
1508624 | CIF | C17 H16 N2 O2 | P b c a | 15.5606; 9.0491; 20.4783 90; 90; 90 | 2883.54 | Nair, Divya K.; Mobin, Shaikh M.; Namboothiri, Irishi N. N. Synthesis of imidazopyridines from the Morita-Baylis-Hillman acetates of nitroalkenes and convenient access to Alpidem and Zolpidem. Organic letters, 2012, 14, 4580-4583 |
1508643 | CIF | C27 H20 B N O S | P b c a | 9.42; 22.286; 21.009 90; 90; 90 | 4410.5 | Kubota, Yasuhiro; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki Synthesis and fluorescence properties of thiazole-boron complexes bearing a β-ketoiminate ligand. Organic letters, 2012, 14, 4682-4685 |
1508663 | CIF | C19 H15 F N2 O4 | P b c a | 11.0313; 9.5234; 31.3481 90; 90; 90 | 3293.29 | Smith, Donna L.; Chidipudi, Suresh Reddy; Goundry, William R.; Lam, Hon Wai Rhodium-catalyzed [2 + 2] cycloaddition of ynamides with nitroalkenes. Organic letters, 2012, 14, 4934-4937 |
1508683 | CIF | C20 H22 O3 | P b c a | 9.3; 18.67; 19.8 90; 90; 90 | 3438 | Yang, Ming; Wang, Lin; He, Zheng-He; Wang, Shao-Hua; Zhang, Shu-Yu; Tu, Yong-Qiang; Zhang, Fu-Min Tandem semipinacol-type 1,2-carbon migration/aldol reaction toward the construction of [5-6-7] all-carbon tricyclic core of Calyciphylline A-type alkaloids. Organic letters, 2012, 14, 5114-5117 |
1508686 | CIF | C17 H23 Cl N2 O5 S | P b c a | 11.4136; 11.557; 28.331 90; 90; 90 | 3737.1 | Zhou, Jing; Zhou, Ling; Yeung, Ying-Yeung Multicomponent approach in the synthesis of 2,2,6-trisubstituted morpholine derivatives. Organic letters, 2012, 14, 5250-5253 |
1508753 | CIF | C18 H21 N O3 S | P b c a | 20.4027; 7.1468; 22.129 90; 90; 90 | 3226.7 | Yuan, Wei; Dong, Xiang; Shi, Min; McDowell, Patrick; Li, Guigen Rh(I)-catalyzed Pauson-Khand-type cycloaddition reaction of ene-vinylidenecyclopropanes with carbon monoxide (CO). Organic letters, 2012, 14, 5582-5585 |
1508870 | CIF | C27 H33 N O7 | P b c a | 19.1983; 10.9762; 23.4467 90; 90; 90 | 4940.8 | Gorbacheva, Evgenia O.; Tabolin, Andrey A.; Novikov, Roman A.; Khomutova, Yulia A.; Nelyubina, Yulia V.; Tomilov, Yury V.; Ioffe, Sema L. Six-membered cyclic nitronates as 1,3-dipoles in formal [3 + 3]-cycloaddition with donor-acceptor cyclopropanes. Synthesis of new type of bicyclic nitrosoacetals. Organic letters, 2013, 15, 350-353 |
1508884 | CIF | C16 H17 N O2 S2 | P b c a | 7.861; 9.93; 42.05 90; 90; 90 | 3282 | Xu, Xiao-Bo; Liu, Jian; Zhang, Jian-Jian; Wang, Ya-Wen; Peng, Yu Nickel-mediated inter- and intramolecular C-s coupling of thiols and thioacetates with aryl iodides at room temperature. Organic letters, 2013, 15, 550-553 |
1508885 | CIF | C13 H13 N O2 S | P b c a | 8.132; 12.907; 23.129 90; 90; 90 | 2428 | Xu, Xiao-Bo; Liu, Jian; Zhang, Jian-Jian; Wang, Ya-Wen; Peng, Yu Nickel-mediated inter- and intramolecular C-s coupling of thiols and thioacetates with aryl iodides at room temperature. Organic letters, 2013, 15, 550-553 |
1508902 | CIF | C12 H10 N4 O | P b c a | 7.5741; 13.7438; 21.7946 90; 90; 90 | 2268.75 | Tran, Tuan P.; Mullins, Patrick B.; Am Ende, Christopher W.; Pettersson, Martin Synthesis of Pyridopyrazine-1,6-diones from 6-Hydroxypicolinic Acids via a One-Pot Coupling/Cyclization Reaction. Organic letters, 2013, 15, 642-645 |
1508958 | CIF | C26 H24 N O2 P S | P b c a | 11.06; 18.268; 21.576 90; 90; 90 | 4359 | Matano, Yoshihiro; Ohkubo, Hiroshi; Honsho, Yoshihito; Saito, Arihiro; Seki, Shu; Imahori, Hiroshi Synthesis and Charge-Carrier Transport Properties of Poly(phosphole P-alkanesulfonylimide)s. Organic letters, 2013, 15, 932-935 |
1509291 | CIF | Ag Cu O4 P | P b c a | 7.5; 15.751; 5.702 90; 90; 90 | 673.592 | Oumba, M.T.; Quarton, M. Proprietes de l'ion Cu2+ dans la structure de Ag Cu P O4 - beta Materials Research Bulletin, 1983, 18, 967-974 |
1509320 | CIF | Ag F2 | P b c a | 5.073; 5.529; 5.813 90; 90; 90 | 163.047 | Fischer, P.; Schwarzenbach, D.; Rietveld, H.M. Crystal and magnetic structure of silver difluoride. I. Determination of the Ag F2 structure Journal of Physics and Chemistry of Solids, 1971, 32, 543-550 |
1509321 | CIF | Ag F2 | P b c a | 5.568; 5.831; 5.101 90; 90; 90 | 165.614 | Mueller, B.G.; Hoppe, R.; Zemva, B.; Jesih, A.; Lutar, K.; Becker, S.; Bachmann, B. Einkristalluntersuchungen an Ag F2 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1990, 588, 77-83 |
1509346 | CIF | Ag Ga P2 Se6 | P b c a | 12.169; 22.484; 7.473 90; 90; 90 | 2044.67 | Pfeiff, R.; Kniep, R. Quaternary selenodiphosphates(IV):M(I)M(III)(P2Se6), (M(I)=Cu,Ag;M(III)=Cr,Al,Ga,In) Journal of Alloys Compd., 1992, 186, 111-133 |
1509468 | CIF | Ag N O3 | P b c a | 6.995; 7.328; 10.118 90; 90; 90 | 518.642 | Trotter, J.; Gibbons, C.S. Crystal structure of exo-tricyclo(3.2.1.02,4)oct-6-ene-silver nitrate, and a refinement of the silver nitrate structure Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971), 1971, 1971, 2058-2062 |
1509622 | CIF | Ag11 K O16 V4 | P b c a | 16.5328; 10.6286; 10.5452 90; 90; 90 | 1853.01 | Jansen, M.; Kovalevskiy, A. Synthesis and crystal structure analysis of K Ag11 (V O4)4 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2006, 632, 413-436 |
1510264 | CIF | Au O4 S | P b c a | 8.549; 8.249; 10.011 90; 90; 90 | 705.983 | Wickleder, M.S. Au S O4 : a true gold(II) sulfate with Au2(4+) ion Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 2112-2114 |
1510306 | CIF | Au Sn2 | P b c a | 6.909; 7.037; 11.789 90; 90; 90 | 573.165 | Schubert, K.; Gohle, R.; Breimer, H. Zum Aufbau der Systeme Gold-Indium, Gold-Zinn, Gold-Indium Zinn uns Gold-Zinn-Antimon Zeitschrift fuer Metallkunde, 1959, 50, 146-153 |
1510484 | CIF | Au3 Ca7 | P b c a | 20.742; 18.036; 6.665 90; 90; 90 | 2493.4 | Fornasini, M.L.; Merlo, F. Ca7 Au3 and Ca5 Au4, two structures closely related to the Th7 Fe3 and Pu5 Rh4 types Journal of Solid State Chemistry, 1985, 59, 65-70 |
1510986 | CIF | B2 Cl4 | P b c a | 11.9; 6.281; 7.69 90; 90; 90 | 574.781 | Atoji, M.; Wheatley, P.J.; Lipscomb, W.N. Molecular Structure of Diborane Tetrachloride, B2 Cl4 Journal of Chemical Physics, 1955, 23, 1176-1176 |
1511036 | CIF | B Ce3 O10 Si2 | P b c a | 9.9007; 7.2036; 23.292 90; 90; 90 | 1661.2 | Grossholz, H.; Mueller-Bunz, H.; Schleid, T. Einkristalle des Cer(III)-Borosilicats Ce3 (B Si O6) (Si O4) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 1436-1438 |
1511039 | CIF | B Cl Mg2 N2 | P b c a | 6.6139; 9.766; 10.6 90; 90; 90 | 684.668 | Somer, M.; Cardoso Gil, R.; Borrmann, H.; Kuetuekcue, M.N.; Carillo-Cabrera, W. Mg2 (B N2) Cl and Mg8 (B N2)5 I: Novel magnesium nitridoborate halides - syntheses, crystal structures and vibrational spectra Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 1015-1021 |
1511168 | CIF | B Gd3 O10 Si2 | P b c a | 9.63; 6.959; 22.792 90; 90; 90 | 1527.41 | Chen, H.-Y.; Zhuang, H.-H.; Huang Jinshun; Lin, X.; Chi Lisheng Synthesis and crystal structure of Gd3 (B Si O6) (Si O4) Jiegon Huaxue, 1998, 17, 297-301 |
1511177 | CIF | B Ge1.08 Nd3 O10 Si0.92 | P b c a | 9.845; 7.146; 23.382 90; 90; 90 | 1644.98 | Serhan, K.; Darriet, J.; Taibi, M.; Aride, J.; le Flem, G.; Boukhari, A. The crystal structure of a new borogermanosilicate Nd3BGe1.08Si0.92O10 Journal of Solid State Chemistry, 1994, 110, 384-388 |
1511464 | CIF | B Ca Li O3 | P b c a | 13.227; 6.1675; 6.062 90; 90; 90 | 494.523 | Xu, Y.P.; He, M.; Li, X.Z.; Dai, L.; Wu, L.; Li, H.; Chen, X.L. Structure determination of a new compound Li Ca B O3 Journal of Solid State Chemistry, 2004, 177, 1111-1116 |
1511482 | CIF | B4 Mn O7 | P b c a | 8.62354; 14.0071; 8.07237 90; 90; 90 | 975.068 | Bernstein, J.L.; Sherwood, R.C.; Gibart, P.; Abrahams, S.C. Manganese diborate. Crystal structure, magnetization, and thermal extinction dependence Journal of Chemical Physics, 1974, 60, 1899-1905 |
1511539 | CIF | B5 Cs O8 | P b c a | 8.697; 8.431; 21.41 90; 90; 90 | 1569.88 | Touboul, M.; Nowogrocki, G.; Seguin, L.; Penin, N. Crystal structures of three M B5 O8 (M = Cs, Rb) borates (alpha-(Cs B5 O8), gamma-(Cs B5 O8) and beta-(Rb B5 O8)) Journal of Solid State Chemistry, 2001, 161, 205-213 |
1511545 | CIF | B5 Ho2 Ni10 | P b c a | 17.588; 9.001; 9.477 90; 90; 90 | 1500.3 | Zavalii, P.Yu.; Bruskov, V.A.; Kuz'ma, Yu.B.; Gubich, I.B. A new type of Ho2Ni10B5 boride structure Kristallografiya, 1991, 36, 490-491 |
1511550 | CIF | B5 Mg Na3 O10 | P b c a | 7.838; 12.288; 18.18 90; 90; 90 | 1750.98 | Xiao Weiqiang; Zang Hegui; Li Ming; Chang Xinan; Zuo Jianlong; Chen Xuean Syntheses and crystal structures of two pentaborates, Na3 Ca B5 O10 and Na3 Mg B5 O10 Solid State Sciences, 2007, 9, 678-685 |
1511554 | CIF | B5 O8 Rb | P b c a | 7.553; 11.857; 14.813 90; 90; 90 | 1326.59 | Seguin, L.; Touboul, M.; Penin, N.; Nowogrocki, G. Crystal structures of three M B5 O8 (M = Cs, Rb) borates (alpha-(Cs B5 O8), gamma-(Cs B5 O8) and beta-(Rb B5 O8)) Journal of Solid State Chemistry, 2001, 161, 205-213 |
1511654 | CIF | B4 Co O7 | P b c a | 8.1189; 8.621; 13.737 90; 90; 90 | 961.494 | Taylor, N.J.; Rowsell, J.L.C.; Nazar, L.F. Crystallographic investigation of the Co - B - O system Journal of Solid State Chemistry, 2003, 174, 189-197 |
1511830 | CIF | C8 H8 O3 | P b c a | 9.676; 16.2; 9.8866 90; 90; 90 | 1549.7 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
1511831 | CIF | C8 H8 O3 | P b c a | 9.66; 16.126; 9.753 90; 90; 90 | 1519.3 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
1511832 | CIF | C8 H8 O3 | P b c a | 9.676; 16.179; 9.627 90; 90; 90 | 1507.1 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
1511833 | CIF | C8 H8 O3 | P b c a | 9.634; 16.132; 9.466 90; 90; 90 | 1471.2 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
1511834 | CIF | C8 H8 O3 | P b c a | 9.637; 16.135; 9.365 90; 90; 90 | 1456.2 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
1511865 | CIF | C23 H24 O2 | P b c a | 17.444; 8.121; 26.134 90; 90; 90 | 3702.2 | Xie, Xiaocong; Li, Yi; Fox, Joseph M. Selective Syntheses of Δα,βand Δβ,γButenolides from Allylic Cyclopropenecarboxylates via Tandem Ring Expansion/[3,3]-Sigmatropic Rearrangements Organic Letters, 2013, 15, 1500 |
1511881 | CIF | C22 H14 O | P b c a | 9.652; 14.2244; 20.858 90; 90; 90 | 2863.7 | Yamamoto, Kosuke; Okazumi, Mieko; Suemune, Hiroshi; Usui, Kazuteru Synthesis of [5]Helicenes with a Substituent Exclusively on the Interior Side of the Helix by Metal-catalyzed Cycloisomerization. Organic letters, 2013, 15, 1806-1809 |
1511888 | CIF | C27 H33 Br N2 O4 S | P b c a | 9.5282; 21.6974; 26.3399 90; 90; 90 | 5445.4 | Qian, Yu; Zavalij, Peter J.; Hu, Wenhao; Doyle, Michael P. Bicyclic Pyrazolidinone Derivatives from Diastereoselective Catalytic [3 + 3]-Cycloaddition Reactions of Enoldiazoacetates with Azomethine Imines Organic Letters, 2013, 15, 1564 |
1511931 | CIF | C22 H15 N5 | P b c a | 16.283; 10.98; 19.477 90; 90; 90 | 3482 | Wang, Xiang; Wang, Shun-Yi; Ji, Shun-Jun Isocyanide-based multicomponent reactions: catalyst-free stereoselective construction of polycyclic spiroindolines. Organic letters, 2013, 15, 1954-1957 |
1511936 | CIF | C19 H14 O4 | P b c a | 11.8949; 8.9065; 28.0405 90; 90; 90 | 2970.7 | Xiong, Yuan; Schaus, Scott E.; Porco, Jr, John A Metal-catalyzed cascade rearrangements of 3-alkynyl flavone ethers. Organic letters, 2013, 15, 1962-1965 |
1511937 | CIF | C7 H7 Cl F3 N3 O | P b c a | 16.3661; 6.7959; 33.9544 90; 90; 90 | 3776.5 | Scales, Stephanie; Johnson, Sarah; Hu, Qiyue; Do, Quyen-Quyen; Richardson, Paul; Wang, Fen; Braganza, John; Ren, Shijian; Wan, Yadong; Zheng, Baojiang; Faizi, Darius; McAlpine, Indrawan Studies on the Regioselective Nucleophilic Aromatic Substitution (SNAr) Reaction of 2-Substituted 3,5-Dichloropyrazines Organic Letters, 2013, 15, 2156 |
1511958 | CIF | C13 H17 B F4 N2 | P b c a | 7.8204; 14.892; 23.179 90; 90; 90 | 2699.5 | Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Filarowski, Alexander; Borodkin, Gennady S. Extreme Magnetic Separation of Geminal Protons in ProtonatedN,N,N′-Trimethyl-1,8-diaminonaphthalene. A Puzzle of the Fourth Methyl Group Organic Letters, 2013, 15, 2194 |
1511959 | CIF | C13 H17 Br N2 | P b c a | 7.4246; 15.5642; 21.89 90; 90; 90 | 2529.6 | Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Filarowski, Alexander; Borodkin, Gennady S. Extreme Magnetic Separation of Geminal Protons in ProtonatedN,N,N′-Trimethyl-1,8-diaminonaphthalene. A Puzzle of the Fourth Methyl Group Organic Letters, 2013, 15, 2194 |
1512038 | CIF | C11 H8 N2 O | P b c a | 14.7579; 10.3799; 22.7275 90; 90; 90 | 3481.52 | Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C. Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems. Organic letters, 2013, 15, 2616-2619 |
1512040 | CIF | C17 H12 N2 O | P b c a | 13.8283; 7.4374; 24.5877 90; 90; 90 | 2528.76 | Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C. Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems. Organic letters, 2013, 15, 2616-2619 |
1512103 | CIF | C25 H20 N2 O3 | P b c a | 18.1208; 7.9048; 27.8786 90; 90; 90 | 3993.4 | Lin, Chi-Hui; Yang, Ding-Yah Synthesis of coumarin/pyrrole-fused heterocycles and their photochemical and redox-switching properties. Organic letters, 2013, 15, 2802-2805 |
1512113 | CIF | C20 H15 N3 O | P b c a | 11.6161; 8.1844; 31.4284 90; 90; 90 | 2987.92 | Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones. Organic letters, 2013, 15, 2842-2845 |
1512130 | CIF | C16 H15 N O4 | P b c a | 7.707; 13.875; 23.418 90; 90; 90 | 2504.2 | Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B The Journal of Physical Chemistry C, 2013, 117, 14130 |
1512137 | CIF | C15 H20 O S2 Si2 | P b c a | 6.9752; 21.458; 24.8 90; 90; 90 | 3711.9 | Wang, Zhihua; Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wei, Qiang; Wang, Hua; Sun, Haoran Molecular Origin of Isomerization Effects on Solid State Structures and Optoelectronic Properties: A Comparative Case Study of Isomerically Pure Dicyanomethylene Substituted Fused Dithiophenes The Journal of Physical Chemistry C, 2013, 117, 16759 |
1512216 | CIF | C30 H27 N O4 | P b c a | 9.1775; 16.572; 33.404 90; 90; 90 | 5080.4 | Gicquel, Maxime; Gomez, Catherine; Retailleau, Pascal; Voituriez, Arnaud; Marinetti, Angela Synthesis of 3,3'-Spirocyclic Oxindoles via Phosphine Catalyzed [4 + 2] Cyclizations. Organic letters, 2013, 15, 4002-4005 |
1512222 | CIF | C16 H14 Cl2 N2 O2 | P b c a | 16.173; 11.469; 17.766 90; 90; 90 | 3295.4 | Trita, Andrada Stefania; Roisnel, Thierry; Mongin, Florence; Chevallier, Floris Hydrogen Bond Templated 1:1 Macrocyclization through an Olefin Metathesis/Hydrogenation Sequence Organic Letters, 2013, 15, 3798 |
1512236 | CIF | C18 H24 Pd | P b c a | 10.2819; 14.7015; 19.599 90; 90; 90 | 2962.6 | Ramirez, Thomas A.; Wang, Qian; Zhu, Yingguang; Zheng, Huaiji; Peng, Xingao; Cornwall, Richard G.; Shi, Yian Pd(0)-Catalyzed Sequential C-N Bond Formation via Allylic and Aromatic C-H Amination of α-Methylstyrenes with Diaziridinone. Organic letters, 2013, 15, 4210-4213 |
1512256 | CIF | C12 H15 N3 O S | P b c a | 8.6335; 14.1307; 21.2871 90; 90; 90 | 2596.97 | Surov, Artem O.; Bui, Cong Trinh; Proshin, Alexey N.; Roussel, Pascal; Idrissi, Abdenacer; Perlovich, German L. Novel 1,2,4-thiadiazole derivatives: crystal structure, conformational analysis, hydrogen bond networks, calculations, and thermodynamic characteristics of crystal lattices. The journal of physical chemistry. B, 2013, 117, 10414-10429 |
1512258 | CIF | C12 H14 Cl N3 O S | P b c a | 9.4374; 13.0463; 22.2127 90; 90; 90 | 2734.9 | Surov, Artem O.; Bui, Cong Trinh; Proshin, Alexey N.; Roussel, Pascal; Idrissi, Abdenacer; Perlovich, German L. Novel 1,2,4-thiadiazole derivatives: crystal structure, conformational analysis, hydrogen bond networks, calculations, and thermodynamic characteristics of crystal lattices. The journal of physical chemistry. B, 2013, 117, 10414-10429 |
1512288 | CIF | C75 H10 N2 O S2 | P b c a | 9.8323; 27.722; 29.449 90; 90; 90 | 8026.9 | Hou, Hui-Lei; Li, Zong-Jun; Li, Shu-Hui; Chen, Si; Gao, Xiang Hydroxide-Initiated Conversion of Aromatic Nitriles to Imidazolines: Fullerenes vs TCNE Organic Letters, 2013, 15, 4646 |
1512354 | CIF | C18 H18 N2 O2 | P b c a | 11.3182; 15.2662; 16.9741 90; 90; 90 | 2932.9 | Lin, Wen-Chung; Yang, Ding-Yah Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines Organic Letters, 2013, 15, 4862 |
1512356 | CIF | C19 H17 N3 O4 | P b c a | 12.358; 11.8372; 22.9929 90; 90; 90 | 3363.5 | Lin, Wen-Chung; Yang, Ding-Yah Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines Organic Letters, 2013, 15, 4862 |
1512372 | CIF | C22 H16 Cl N O | P b c a | 7.8897; 20.511; 21.318 90; 90; 90 | 3449.8 | Bhunia, Anup; Porwal, Digvijay; Gonnade, Rajesh G.; Biju, Akkattu T. Multicomponent reactions involving arynes, quinolines, and aldehydes. Organic letters, 2013, 15, 4620-4623 |
1512402 | CIF | C64 H60 Cu6 N8 O50 Si W12 | P b c a | 14.939; 23.406; 34.243 90; 90; 90 | 11973 | Xing Meng; Hai-Ning Wang; Xin-Long Wang; Guang-Sheng Yang; Shuang Wang; Kui-Zhan Shao; Zhong-Min Su Construction and property investigation of inorganic-organic hybrid materials based on metal-salens and Keggin polyoxometalates Inorganica Chimica Acta, 2012, 390, 135-142 |
1512417 | CIF | C19 H16 Fe O3 | P b c a | 9.7943; 17.285; 17.4952 90; 90; 90 | 2961.8 | Salvador Celedona; Mauricio Fuentealbab; Thierry Roisnelc; Jean-Rene Hamonc; David Carrilloa; Carolina Manzura Stepwise construction of a 4-hydroxyphenyl functionalized O,N,N-tridentate ferrocene-containing enaminone: Spectral, analytical and structural studies Inorganica Chimica Acta, 2012, 390, 184-189 |
1512429 | CIF | C22 H16 N4 Ni O5 | P b c a | 17.4754; 12.7417; 18.2221 90; 90; 90 | 4057.4 | Xinjiang Caoa; Ying Liua; Luying Wangb; Gang Li Assembly of five metal-organic frameworks based on 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate Inorganica Chimica Acta, 2012, 392, 16-24 |
1512430 | CIF | C22 H16 Mn N4 O5 | P b c a | 17.5759; 13.2778; 18.1001 90; 90; 90 | 4224 | Xinjiang Caoa; Ying Liua; Luying Wangb; Gang Li Assembly of five metal-organic frameworks based on 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate Inorganica Chimica Acta, 2012, 392, 16-24 |
1512441 | CIF | C28 H38 Ag2 N4 O12 S2 | P b c a | 15.5; 8.5536; 25.822 90; 90; 90 | 3423.5 | Yue Zhao; Ling-Ling Zhai; Gao-Chao Lv; Xin Zhou; Wei-Yin Sun Silver(I) complexes with oxazoline-containing bidentate ligands: Syntheses, structures and properties Inorganica Chimica Acta, 2012, 392, 38-45 |
1512448 | CIF | C15 H19 F12 N5 P2 | P b c a | 9.4018; 18.2059; 25.6928 90; 90; 90 | 4397.79 | Srinivasa Budagumpi; Rosenani A. Haque; Abbas Washeel Salman; Mohammed Z. Ghdhayeb Mercury(II)- and silver(I)-N-heterocyclic carbene complexes of CNC pincer-type ligands: Synthesis, crystal structures and Hofmann-type elimination studies Inorganica Chimica Acta, 2012, 392, 61-72 |
1512647 | CIF | C6 H6 Cd1.5 N11 O | P b c a | 7.8449; 12.6638; 24.194 90; 90; 90 | 2403.6 | Kari Darling; Wayne Ouellette; Steven Pellizzeri; Tiffany Smith; Jose Vargas; Steven Tomaszfski; Charles J. O-Connor; Jon Zubieta One- and two-dimensional coordination polymers of substituted tetrazoles with cadmium(II) Inorganica Chimica Acta, 2012, 392, 417-427 |
1512657 | CIF | B2 Cd O5 Sr | P b c a | 12.01; 5.795; 12.677 90; 90; 90 | 882.3 | Jian Cao; Junyu Gao; Shilie Pan; Hongwei Yu; Wenwu Zhao; Zhihua Yang Synthesis, crystal structure and properties of a new strontium cadmium diborate Inorganica Chimica Acta, 2012, 392, 459-464 |
1512658 | CIF | C30 H33 Cl2 Cu N10 O8.5 | P b c a | 13.424; 22.054; 47.809 90; 90; 90 | 14154 | Feng Xu; Tao Tao; Qian-Qian Liu; Jiao Geng; Wei Huang A special case of copper(II) complex having monodentate and uncoordinated 4-aminopyridine molecules stabilized by highly cooperative supramolecular interactions Inorganica Chimica Acta, 2012, 392, 465-468 |
1512664 | CIF | C32 H27 Br Cl N2 P | P b c a | 10.836; 21.63; 23.468 90; 90; 90 | 5500 | Ian Mallov; Heather Spinney; Titel Jurca; Serge Gorelsky; Tara Burchell; Darrin Richeson The 2,2'-diindolylmethane dianion supporting scaffold for group 15 compounds Inorganica Chimica Acta, 2012, 392, 5-9 |
1512680 | CIF | C16 H26 Cl Cu N3 O5 | P b c a | 15.0967; 15.7021; 16.8468 90; 90; 90 | 3993.5 | Hamid Golchoubian; Ehsan Rezaee; Giuseppeh Bruno; Hadi Amiri Rudbari Syntheses of mixed chelate copper(II) complexes containing beta-ketoaminato and diamine ligands: Solvatochromism study Inorganica Chimica Acta, 2012, 393, 1-9 |
1512705 | CIF | C12 H17 Cl2 N O Pd Se | P b c a | 7.8485; 9.915; 38.212 90; 90; 90 | 2973.6 | Pradhumn Singh; Dipanwita Das; Om Prakash; Ajai K. Singh Synthesis and structural chemistry of N-{2-(arylthio/seleno) ethyl}morpholine/piperidine-palladium(II) complexes as potent catalysts for the Heck reaction Inorganica Chimica Acta, 2012, 393, 77-84 |
1512707 | CIF | C12 H17 Cl2 N O Pd S | P b c a | 7.739; 9.812; 37.95 90; 90; 90 | 2881.7 | Pradhumn Singh; Dipanwita Das; Om Prakash; Ajai K. Singh Synthesis and structural chemistry of N-{2-(arylthio/seleno) ethyl}morpholine/piperidine-palladium(II) complexes as potent catalysts for the Heck reaction Inorganica Chimica Acta, 2012, 393, 77-84 |
1512746 | CIF | C43 H57 N3 O2 Sr | P b c a | 15.9769; 18.674; 27.258 90; 90; 90 | 8132.5 | Timothy J. Boyle; Leigh Anna M. Steele; Alia Saad Synthesis and characterization of the heavy alkaline earth aryloxide congeners Inorganica Chimica Acta, 2013, 394, 259-268 |
1512781 | CIF | C12 H18 Co3 N10 O12 P2 | P b c a | 6.9683; 14.1302; 22.426 90; 90; 90 | 2208.1 | Kari Darling; Jon Zubieta Solid state coordination chemistry of metal-azolate compounds: Structural consequences of incorporation of phosphate components in the Co(II)/4-pyridyltetrazolate/phosphate system Inorganica Chimica Acta, 2013, 394, 512-518 |
1512798 | CIF | C29 H27 Cl2 N4 P Ru S | P b c a | 11.22; 16.927; 30.679 90; 90; 90 | 5827 | Mahendra Sekhar Jana; Ajoy Kumar Pramanik; Subhankar Kundu; Deblina Sarkar; Subrata Jana; Tapan Kumar Mondal Synthesis, X-ray structure, spectroscopic and DFT study of cis-[Ru(PPh3)(L)X2] complexes (X = Cl-, Br-, I- and NCS-) (L = 1-methyl-2-{(o-thiomethyl)phenylazo}imidazole Inorganica Chimica Acta, 2013, 394, 583-590 |
1512799 | CIF | C29 H27 I2 N4 P Ru S | P b c a | 11.3207; 17.7526; 30.2606 90; 90; 90 | 6081.5 | Mahendra Sekhar Jana; Ajoy Kumar Pramanik; Subhankar Kundu; Deblina Sarkar; Subrata Jana; Tapan Kumar Mondal Synthesis, X-ray structure, spectroscopic and DFT study of cis-[Ru(PPh3)(L)X2] complexes (X = Cl-, Br-, I- and NCS-) (L = 1-methyl-2-{(o-thiomethyl)phenylazo}imidazole Inorganica Chimica Acta, 2013, 394, 583-590 |
1512843 | CIF | C26 H22 Cl2 Cu2 N8 O6 | P b c a | 16.524; 7.958; 21.913 90; 90; 90 | 2881.5 | Saugata Konar; Atanu Jana; Kinsuk Das; Sangita Ray; Sudipta Chatterjee; Susanta Kumar Kar Three new 1D Cu(II) coordination polymers and a binuclear Cu(II) complex of two pyrazole derived Schiff base ligands: Heterocyclic ring substitution and anion dependent structural variations - Spectral studies Inorganica Chimica Acta, 2013, 395, 1-10 |
1512862 | CIF | C14 H8 Fe N6 S6 | P b c a | 14.831; 15.8627; 16.9169 90; 90; 90 | 3979.9 | Anita Abedi; Vahid Amani; Roman Boca; Lubor Dlhan; Hamid Reza Khavasi; Nasser Safari Bis(isothiocyanato)iron(II) complexes with bithiazole ligands: Structure and magnetic studies Inorganica Chimica Acta, 2013, 395, 58-66 |
1512924 | CIF | C2 H22 Br3 La O9 | P b c a | 12.654; 12.9686; 19.864 90; 90; 90 | 3259.8 | Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre Structural characterization of methanol substituted lanthanum halides Polyhedron, 2010, 29, 1784-1795 |
1512932 | CIF | C20 H20 Br3 N4 Nd | P b c a | 16.998; 17.515; 32.617 90; 90; 90 | 9711 | Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre Structural characterization of methanol substituted lanthanum halides Polyhedron, 2010, 29, 1784-1795 |
1512963 | CIF | C8 H16 Ba N6 O2 S2 | P b c a | 10.9446; 13.11; 10.945 90; 90; 90 | 1570.4 | Wenjun Zheng; Dongming Yang 1,2,4-Triazolato barium complex: The layered polymeric planar structure with an nu2-nu2,nu1 bridging coordination Inorganica Chimica Acta, 2013, 396, 21-24 |
1512976 | CIF | C21 H19 N3 O4 Zn | P b c a | 11.8253; 17.268; 19.299 90; 90; 90 | 3940.8 | De-Yun Ma; Kuan Lu; Liang Qin; Hai-Fu Guo; Xiong-Yi Peng; Jian-Qiang Liu Syntheses, crystal structures, substituents steric effect, luminescent and moisture-stability studies of three two-dimensional zinc-organic frameworks Inorganica Chimica Acta, 2013, 396, 84-91 |
1513028 | CIF | C34 H51.12 Ag2 N12 O5.56 | P b c a | 17.8084; 18.8997; 24.4847 90; 90; 90 | 8240.9 | Jens Hunger Synthesis and structure of coordination polymers of Mn2+, Cu2+, Ag+, Zn2+ and Cd2+ by combination of bipyrazole and diphenate ligands Inorganica Chimica Acta, 2013, 397, 60-68 |
1513043 | CIF | C8 H8 O3 | P b c a | 9.9537; 9.6632; 16.173 90; 90; 90 | 1555.6 | Ivanova, Bojidarka Matrixes in UV-MALDI Mass spectrometry crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids Analytical Methods, 2012, 4, 2247 |
1513057 | CIF | C14 H20 Cl N O6 S | P b c a | 13.526; 15.045; 16.533 90; 90; 90 | 3364.4 | Ivanova, Bojidarka; Spiteller, Michael Factors stabilizing the gas-phase ionic species of crystals of organic salts Experimental and theoretical study Journal of Molecular Structure, 2013, 1036, 226 |
1513080 | CIF | C14 H26 F6 N Na O10 S2 | P b c a | 13.5214; 16.1932; 22.1855 90; 90; 90 | 4857.6 | Mandai, Toshihiko; Nozawa, Risa; Tsuzuki, Seiji; Yoshida, Kazuki; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi Phase diagrams and solvate structures of binary mixtures of glymes and na salts. The journal of physical chemistry. B, 2013, 117, 15072-15085 |
1513128 | CIF | C28 H25 Br O6 S2 | P b c a | 17.494; 10.8153; 27.104 90; 90; 90 | 5128.2 | Zheng, Jie; Huang, You; Li, Zhengming Phosphine-Catalyzed Domino Reaction: An Efficient Method for the Synthesis of Bicyclo[3.2.0]heptenes Skeleton. Organic letters, 2013, 15, 5758-5761 |
1513157 | CIF | C13 H15 N O5 | P b c a | 10.6801; 8.9717; 26.3836 90; 90; 90 | 2528.04 | Schmidt, Christian D.; Kaschel, Johannes; Schneider, Tobias F.; Kratzert, Daniel; Stalke, Dietmar; Werz, Daniel B. Donor-Substituted Nitrocyclopropanes: Immediate Ring-Enlargement to Cyclic Nitronates Organic Letters, 2013, 15, 6098 |
1513171 | CIF | C12 H2 N2 O | P b c a | 10.5942; 9.8494; 19.646 90; 90; 90 | 2050 | Ivanova, Bojidarka; Spiteller, Michael A novel UV-MALDI-MS analytical approach for determination of halogenated phenyl-containing pesticides Ecotoxicology and Environmental Safety, 2013, 91, 86-95 |
1513278 | CIF | C21 H16 B N Se | P b c a | 12.149; 15.807; 17.735 90; 90; 90 | 3405.8 | Tokoro, Yuichiro; Nagai, Atsushi; Kokado, Kenta; Chujo, Yoshiki Synthesis of Organoboron Quinoline-8-thiolate and Quinoline-8-selenolate Complexes and Their Incorporation into the π-Conjugated Polymer Main-Chain Macromolecules, 2009, 42, 2988 |
1513279 | CIF | C21 H16 B N S | P b c a | 12.08; 15.806; 17.537 90; 90; 90 | 3348.5 | Tokoro, Yuichiro; Nagai, Atsushi; Kokado, Kenta; Chujo, Yoshiki Synthesis of Organoboron Quinoline-8-thiolate and Quinoline-8-selenolate Complexes and Their Incorporation into the π-Conjugated Polymer Main-Chain Macromolecules, 2009, 42, 2988 |
1513497 | CIF | C59 H48 Cl4 N12 O4 | P b c a | 14.849; 12.95; 30.051 90; 90; 90 | 5779 | Tran, Minh Quan; Ermolenko, Ludmila; Retailleau, Pascal; Nguyen, Thanh Binh; Al-Mourabit, Ali Reaction of Quinones and Guanidine Derivatives: Simple Access to Bis-2-aminobenzimidazole Moiety of Benzosceptrin and Other Benzazole Motifs. Organic letters, 2014, 16, 920-923 |
1513511 | CIF | C18 H10 F6 N2 | P b c a | 7.6857; 15.248; 28.403 90; 90; 90 | 3328.6 | Gao, Bing; Zhao, Yanchuan; Ni, Chuanfa; Hu, Jinbo AgF-mediated fluorinative homocoupling of gem-difluoroalkenes. Organic letters, 2014, 16, 102-105 |
1513529 | CIF | C28 H28 N4 O8 Zn | P b c a | 11.6106; 9.0413; 24.953 90; 90; 90 | 2619.4 | Rana, Anup; Panda, Pradeepta K. β-Octamethoxyporphycenes. Organic letters, 2014, 16, 78-81 |
1513530 | CIF | C28 H30 N4 O9 | P b c a | 13.867; 12.856; 15.535 90; 90; 90 | 2769.5 | Rana, Anup; Panda, Pradeepta K. β-Octamethoxyporphycenes. Organic letters, 2014, 16, 78-81 |
1513531 | CIF | C28 H28 N4 O8 Pd | P b c a | 14.1047; 12.6047; 15.526 90; 90; 90 | 2760.3 | Rana, Anup; Panda, Pradeepta K. β-Octamethoxyporphycenes. Organic letters, 2014, 16, 78-81 |
1513551 | CIF | C28 H26 Cl2 O2 Pd2 S2 | P b c a | 18.1408; 15.6808; 19.7387 90; 90; 90 | 5614.9 | Wang, Binjie; Shen, Chuang; Yao, Jinzhong; Yin, Hong; Zhang, Yuhong Palladium(II)-catalyzed ortho-olefination of arenes applying sulfoxides as remote directing groups. Organic letters, 2014, 16, 46-49 |
1513555 | CIF | C16 H10 Cl2 O | P b c a | 7.8959; 13.193; 25.493 90; 90; 90 | 2655.6 | Yuan, Weiming; Ma, Shengming Benzofuran derivatives from alkynyl-substituted benzynes and aryl halides. Organic letters, 2014, 16, 193-195 |
1513604 | CIF | C27 H22 Cl3 N6 O6 Ru | P b c a | 19.3405; 11.3692; 25.8709 90; 90; 90 | 5688.6 | Aguiló, Joan; Francàs, Laia; Liu, Hai Jie; Bofill, Roger; García-Antón, Jordi; Benet-Buchholz, Jordi; Llobet, Antoni; Escriche, Lluís; Sala, Xavier Characterization and performance of electrostatically adsorbed Ru‒Hbpp water oxidation catalysts Catalysis Science & Technology, 2014, 4, 190 |
1513651 | CIF | C22 H35 P | P b c a | 9.7184; 11.6807; 35.4816 90; 90; 90 | 4027.79 | Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard The frustrated Lewis pair pathway to methylene phosphonium systems Chemical Science, 2014, 5, 797 |
1513667 | CIF | C14 H15 N3 O3 S | P b c a | 7.6612; 13.3624; 28.3524 90; 90; 90 | 2902.49 | Wu, Bin; Gallucci, Judith C.; Parquette, Jon R.; RajanBabu, T. V. Bimetallic catalysis in the highly enantioselective ring‒opening reactions of aziridines Chemical Science, 2014, 5, 1102 |
1513694 | CIF | C9 H29 Al F3 N3 O4 | P b c a | 8.8131; 13.356; 26.551 90; 90; 90 | 3125.3 | Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution Chemical Science, 2014, 5, 381 |
1513731 | CIF | C36 H33 B F6 N11 O6.5 Pd S2 | P b c a | 17.177; 19.182; 24.723 90; 90; 90 | 8146 | Brandt, Jochen R.; Lee, Eunsung; Boursalian, Gregory B.; Ritter, Tobias Mechanism of Electrophilic Fluorination with Pd(IV): Fluoride Capture and Subsequent Oxidative Fluoride Transfer(.) Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 169 |
1513737 | CIF | C57 H48 N8 O9 S4 Zn2 | P b c a | 22.486; 16.5586; 28.6689 90; 90; 90 | 10674.5 | Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris 3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents. Metallomics : integrated biometal science, 2014, 6, 249-262 |
1513741 | CIF | C13 H12 O3 | P b c a | 12.1889; 8.9564; 20.1062 90; 90; 90 | 2194.97 | Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris 3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents. Metallomics : integrated biometal science, 2014, 6, 249-262 |
1513759 | CIF | C27 H18 N2 | P b c a | 16.0572; 13.6979; 17.9652 90; 90; 90 | 3951.44 | Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 211-223 |
1513794 | CIF | C21 H29 F5 Si3 | P b c a | 11.6307; 12.5277; 33.4761 90; 90; 90 | 4877.7 | Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units. Nature communications, 2014, 5, 3018 |
1513795 | CIF | C21 H31 F5 Si3 | P b c a | 11.6585; 12.5084; 33.328 90; 90; 90 | 4860.2 | Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units. Nature communications, 2014, 5, 3018 |
1513812 | CIF | C18 H17 F4 N O2 S | P b c a | 10.3289; 12.271; 27.811 90; 90; 90 | 3524.9 | Cui, Jian; Jia, Qun; Feng, Ruo-Zhu; Liu, Shan-Shan; He, Tian; Zhang, Chi Boron trifluoride etherate functioning as a fluorine source in an iodosobenzene-mediated intramolecular aminofluorination of homoallylic amines. Organic letters, 2014, 16, 1442-1445 |
1513948 | CIF | C8 H8 F3 N O2 S | P b c a | 7.968; 15.3; 16.954 90; 90; 90 | 2066.9 | Xie, Jin; Yuan, Xiangai; Abdukader, Ablimit; Zhu, Chengjian; Ma, Jing Visible-light-promoted radical C-h trifluoromethylation of free anilines. Organic letters, 2014, 16, 1768-1771 |
1514103 | CIF | Mn2 O3 | P b c a | 9.4118; 9.4177; 9.4233 90; 90; 90 | 835.26 | Norrestam, R. Alpha-manganese(III) oxide - a C-type sesquioxide of orthorhombic symmetry Acta Chemica Scandinavica (1-27,1973-42,1988), 1967, 21, 2871-2884 |
1514122 | CIF | C48 H38 N6 O5 | P b c a | 18.444; 15.948; 25.573 90; 90; 90 | 7522 | Nakano, Emi; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro Electrochemistry of photochromic [2.2]paracyclophane-bridged imidazole dimers: rational understanding of the electronic structures. The journal of physical chemistry. A, 2014, 118, 2288-2297 |
1514125 | CIF | C39 H48 Cl2 Fe P2 | P b c a | 13.4011; 21.5414; 48.6745 90; 90; 90 | 14051.3 | Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan Indirect "no-bond" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations. The journal of physical chemistry. A, 2014, 118, 2316-2331 |
1514137 | CIF | C27 H35 Cl3 Fe N2 O | P b c a | 15.98; 14.393; 24.368 90; 90; 90 | 5604.6 | Hennessy, Elisabeth T.; Liu, Richard Y.; Iovan, Diana A.; Duncan, Ryan A.; Betley, Theodore A. Iron-mediated intermolecular N-group transfer chemistry with olefinic substrates Chemical Science, 2014, 5, 1526 |
1514202 | CIF | C18 H21 N3 O | P b c a | 15.5492; 10.0774; 19.0625 90; 90; 90 | 2987 | Vekariya, Rakesh H; Liu, Ruzhang; Aubé, Jeffrey A concomitant allylic azide rearrangement/intramolecular azide-alkyne cycloaddition sequence. Organic letters, 2014, 16, 1844-1847 |
1514218 | CIF | C28 H28 O4 | P b c a | 16.8408; 14.2476; 19.6198 90; 90; 90 | 4707.6 | Zhu, Mengyun; Liu, Jinqian; Yu, Jianjun; Chen, Liangshun; Zhang, Chunmei; Wang, Limin AlCl3-Promoted Formal [2 + 3]-Cycloaddition of 1,1-Cyclopropane Diesters with N-Benzylic Sulfonamides To Construct Highly Stereoselective Indane Derivatives. Organic letters, 2014, 16, 1856-1859 |
1514247 | CIF | C18 H28 F3 Li N4 O6 | P b c a | 15.741; 16.454; 18.665 90; 90; 90 | 4834 | McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A. Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI The Journal of Physical Chemistry C, 2014, 118, 7781 |
1514256 | CIF | C20 H18 Cl N O4 S | P b c a | 9.8687; 12.9702; 29.514 90; 90; 90 | 3777.8 | He, Shuzhong; Hsung, Richard P; Presser, William R; Ma, Zhi-Xiong; Haugen, Bryan J An Approach to Cyclohepta[b]indoles through an Allenamide (4 + 3) Cycloaddition-Grignard Cyclization-Chugaev Elimination Sequence. Organic letters, 2014, 16, 2180-2183 |
1514295 | CIF | C37 H30 F3 N3 O3 Pt S | P b c a | 14.0939; 19.1285; 26.663 90; 90; 90 | 7188.2 | Juliá, Fabio; Bautista, Delia; Fernández-Hernández, Jesús M.; González-Herrero, Pablo Homoleptic tris-cyclometalated platinum(iv) complexes: a new class of long-lived, highly efficient 3LC emitters Chemical Science, 2014, 5, 1875 |
1514318 | CIF | C22 H24 Mo N2 O4 | P b c a | 17.9132; 11.6738; 21.3034 90; 90; 90 | 4454.9 | Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P. Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts Chemical Science, 2014, 5, 1894 |
1514320 | CIF | C22 H24 N2 O4 W | P b c a | 17.8251; 11.6986; 21.3193 90; 90; 90 | 4445.7 | Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P. Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts Chemical Science, 2014, 5, 1894 |
1514329 | CIF | C15 H16 Cl2 O Pd S2 | P b c a | 8.117; 20.123; 20.541 90; 90; 90 | 3355 | Joshi, Hemant; Sharma, Kamal Nayan; Sharma, Alpesh K; Singh, Ajai Kumar Palladium-phosphorus/sulfur nanoparticles (NPs) decorated on graphene oxide: synthesis using the same precursor for NPs and catalytic applications in Suzuki-Miyaura coupling. Nanoscale, 2014, 6, 4588-4597 |
1514431 | CIF | C62 H44 Br4 N8 O7 | P b c a | 19.744; 19.587; 32.31 90; 90; 90 | 12495 | Song, Na Ri; Moon, Jong Hun; Choi, Jiyoung; Jun, Eun Jin; Kim, Youngmee; Kim, Sung-Jin; Lee, Jin Yong; Yoon, Juyoung Cyclic benzobisimidazolium derivative for the selective fluorescent recognition of HSO4−via a combination of C‒H hydrogen bonds and charge interactions Chemical Science, 2013, 4, 1765 |
1514486 | CIF | C18 H18 Cl D2 N3 O2 | P b c a | 18.9604; 9.3522; 19.2687 90; 90; 90 | 3416.8 | Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D. Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent Chemical Science, 2013, 4, 1514 |
1514487 | CIF | C19 H20 Cl D2 N3 O2 | P b c a | 19.2697; 9.5129; 19.6896 90; 90; 90 | 3609.3 | Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D. Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent Chemical Science, 2013, 4, 1514 |
1514488 | CIF | C18 H17 Cl D2 F N3 O2 | P b c a | 18.8845; 9.4266; 19.2915 90; 90; 90 | 3434.2 | Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D. Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent Chemical Science, 2013, 4, 1514 |
1514588 | CIF | C45 H58 Au N2 P | P b c a | 14.8187; 19.5498; 28.0267 90; 90; 90 | 8119.4 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
1514602 | CIF | C8 H15 F6 N2 P | P b c a | 9.3855; 9.7769; 26.717 90; 90; 90 | 2451.58 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
1514603 | CIF | C8 H15 F6 N2 P | P b c a | 9.4924; 9.8406; 26.8817 90; 90; 90 | 2511 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
1514625 | CIF | C59 H82 Mg2 N4 O S2 | P b c a | 14.86; 17.21; 45.3 90; 90; 90 | 11585 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514638 | CIF | C40 H46 B2 F8 N12 Rh2 | P b c a | 14.135; 21.331; 31.17 90; 90; 90 | 9398 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
1514639 | CIF | C42 H48 B2 F8 N10 Rh2 | P b c a | 14.338; 21.619; 31.136 90; 90; 90 | 9651 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
1514641 | CIF | C40 H46 B2 F8 N12 Rh2 | P b c a | 14.126; 21.399; 31.434 90; 90; 90 | 9502 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
1514644 | CIF | C20 H24 O2 | P b c a | 9.79459; 10.18235; 34.1007 90; 90; 90 | 3400.93 | Franzoni, Ivan; Guénée, Laure; Mazet, Clément Access to congested quaternary centers by Pd-catalyzed intermolecular γ-arylation of unactivated α,β-unsaturated aldehydes Chemical Science, 2013, 4, 2619 |
1514741 | CIF | C39 H63 Li N2 Zn | P b c a | 21.8628; 22.1892; 31.9347 90; 90; 90 | 15492.1 | Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion Chemical Science, 2013, 4, 4259 |
1514750 | CIF | C26 H22 B2 N2 O | P b c a | 10.6981; 14.3379; 26.3743 90; 90; 90 | 4045.5 | Dimitrijević, Elena; Taylor, Mark S. 9-Hetero-10-boraanthracene-derived borinic acid catalysts for regioselective activation of polyols Chemical Science, 2013, 4, 3298 |
1514761 | CIF | C13 H14 O3 | P b c a | 10.2738; 11.207; 19.0373 90; 90; 90 | 2191.93 | Farmer, Rebecca L.; Scheidt, Karl A. A Concise Enantioselective Synthesis and Cytotoxic Evaluation of the Anticancer Rotenoid Deguelin Enabled by a Tandem Knoevenagel/Conjugate Addition/Decarboxylation Sequence. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3304-3309 |
1514766 | CIF | C58 H78 Br6 Dy N9 O14 Zn2 | P b c a | 22.0395; 16.0165; 39.3819 90; 90; 90 | 13901.6 | Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh Chemical Science, 2013, 4, 3310 |
1514767 | CIF | C54 H62 Br6 Dy N9 O10 Zn2 | P b c a | 20.5186; 16.4699; 37.585 90; 90; 90 | 12701.4 | Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh Chemical Science, 2013, 4, 3310 |
1514768 | CIF | C58 H78 Br6 Dy N9 O14 Zn2 | P b c a | 21.893; 15.9613; 39.306 90; 90; 90 | 13735.1 | Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh Chemical Science, 2013, 4, 3310 |
1514789 | CIF | C31 H22 N2 | P b c a | 9.7242; 17.6641; 25.6425 90; 90; 90 | 4404.59 | Yang, Zhiyong; Qin, Wei; Lam, Jacky W. Y.; Chen, Sijie; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong Fluorescent pH sensor constructed from a heteroatom-containing luminogen with tunable AIE and ICT characteristics Chemical Science, 2013, 4, 3725 |
1514792 | CIF | C16 H14 Cl3 N O2 | P b c a | 9.7761; 14.7382; 24.0669 90; 90; 90 | 3467.6 | Cui, Sunliang; Zhang, Yan; Wu, Qifan Rh(iii)-catalyzed C‒H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation Chemical Science, 2013, 4, 3421 |
1514808 | CIF | C6 H13 Cl2 N2 P | P b c a | 7.768; 12.985; 19.423 90; 90; 90 | 1959.1 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514813 | CIF | C5 H10 Cl4 N2 Si | P b c a | 12.8424; 12.65; 13.2356 90; 90; 90 | 2150.21 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514886 | CIF | C24 H29 N5 O2 | P b c a | 12.5135; 8.2914; 41.841 90; 90; 90 | 4341.2 | Alsarraf, Jérome; Robert, Frédéric; Cramail, Henri; Landais, Yannick Latent catalysts based on guanidine templates for polyurethane synthesis Polymer Chemistry, 2013, 4, 904 |
1514897 | CIF | C34 H56 O2 Zn2 | P b c a | 17.7224; 9.6794; 19.248 90; 90; 90 | 3301.8 | Descour, Camille; Sciarone, Timo J. J.; Cavallo, Dario; Macko, Tibor; Kelchtermans, Mauritz; Korobkov, Ilia; Duchateau, Robbert Exploration of the effect of 2,6-(t-Bu)2-4-Me-C6H2OH (BHT) in chain shuttling polymerization Polymer Chemistry, 2013, 4, 4718 |
1514905 | CIF | C12 H16 N4 O8 S Zn | P b c a | 9.1328; 9.0544; 39.49 90; 90; 90 | 3265.5 | Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Fonari, Marina S. Mechanism of Nonlinear Optical Enhancement and Supramolecular Isomerism in 1D Polymeric Zn(II) and Cd(II) Sulfates with Pyridine-4-aldoxime Ligands The Journal of Physical Chemistry C, 2014, 118, 9217 |
1514949 | CIF | C32 H26 O2 Si | P b c a | 21.7477; 13.4689; 35.5044 90; 90; 90 | 10399.9 | Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application Chemical Science, 2012, 3, 549 |
1514991 | CIF | C37 H57 Ni P3 Si | P b c a | 16.1008; 16.9634; 25.931 90; 90; 90 | 7082.4 | Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313 |
1514994 | CIF | C69 H66 B Cl F24 Ni O P3 Si | P b c a | 26.3375; 19.5435; 27.2078 90; 90; 90 | 14004.6 | Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313 |
1515112 | CIF | C22.5 H27.5 Br2 Cl4.5 N2 | P b c a | 28.784; 28.621; 13.801 90; 90; 90 | 11370 | Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986 |
1515140 | CIF | C12 H8 D4 Fe | P b c a | 7.3925; 12.3693; 19.4209 90; 90; 90 | 1775.85 | Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes Chemical Science, 2012, 3, 830 |
1515290 | CIF | C27 H23 Cl N3 O P Pd S | P b c a | 7.7387; 24.7405; 27.364 90; 90; 90 | 5239.1 | Ramachandran, Eswaran; Kalaivani, Palaniappan; Prabhakaran, Rathinasabapathi; Rath, Nigam P.; Brinda, Selvaraj; Poornima, Paramasivan; Padma, Viswanatha Vijaya; Natarajan, Karuppannan Synthesis, X-ray crystal structure, DNA binding, antioxidant and cytotoxicity studies of Ni(ii) and Pd(ii) thiosemicarbazone complexes. Metallomics : integrated biometal science, 2012, 4, 218-227 |
1515312 | CIF | C25 H17 N O2 | P b c a | 12.847; 8.845; 32.399 90; 90; 90 | 3682 | Chowdhury, Nilanjana; Dutta, Sansa; Dasgupta, Swagata; Singh, N. D. Pradeep; Baidya, Mithu; Ghosh, S. K. Synthesis, photophysical, photochemical, DNA cleavage/binding and cytotoxic properties of pyrene oxime ester conjugates. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2012, 11, 1239-1250 |
1515375 | CIF | C15 H22 N2 O S | P b c a | 7.756; 10.12; 37.38 90; 90; 90 | 2934 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515448 | CIF | C17 H19 N O2 | P b c a | 7.7628; 11.1348; 32.262 90; 90; 90 | 2788.6 | Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L. Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes Chemical Science, 2011, 2, 633 |
1515463 | CIF | C47 H46 F12 N8 P2 Pt2 | P b c a | 18.526; 22.046; 23.559 90; 90; 90 | 9622 | Wai-Yin Sun, Raymond; Lok-Fung Chow, Andy; Li, Xiao-Hua; Yan, Jessie Jing; Sin-Yin Chui, Stephen; Che, Chi-Ming Luminescent cyclometalated platinum(ii) complexes containing N-heterocyclic carbene ligands with potent in vitro and in vivo anti-cancer properties accumulate in cytoplasmic structures of cancer cells Chemical Science, 2011, 2, 728 |
1515476 | CIF | C34 H69 P5 Pt2 | P b c a | 11.699; 15.37; 45.229 90; 90; 90 | 8133 | Waterman, Rory; Tilley, T. Don Terminal hafnium phosphinidene complexes and phosphinidene ligand exchange Chemical Science, 2011, 2, 1320 |
1515527 | CIF | C16 H22 N2 O2 S | P b c a | 12.3076; 9.776; 26.6952 90; 90; 90 | 3211.94 | Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter Chemoselective intramolecular allylic C‒H amination versus CC aziridination through Co(ii)-based metalloradical catalysis Chemical Science, 2011, 2, 2361 |
1515535 | CIF | C17 H22 O3 | P b c a | 12.7496; 10.619; 22.4445 90; 90; 90 | 3038.7 | Parr, Brendan T.; Li, Zhanjie; Davies, Huw M. L. Asymmetric Synthesis of Highly Functionalized Cyclopentanes by a Rhodium- and Scandium-Catalyzed Five-Step Domino Sequence. Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 2378-2382 |
1515570 | CIF | C15 H10 Br2 N2 | P b c a | 18.7505; 7.0987; 20.0419 90; 90; 90 | 2667.7 | Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine Chemical Science, 2011, 2, 2178 |
1515587 | CIF | C40 H63 N3 O3 Si Ti | P b c a | 19.9166; 19.1716; 21.779 90; 90; 90 | 8315.9 | Silvia, Jared S.; Cummins, Christopher C. Binding, release, and functionalization of CO2 at a nucleophilic oxo anion complex of titanium Chemical Science, 2011, 2, 1474 |
1515637 | CIF | C56 H88 N32 Ni4 O16 | P b c a | 17.3775; 17.494; 24.6892 90; 90; 90 | 7505.6 | Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study Chemical Science, 2011, 2, 1695 |
1515668 | CIF | C36 H36 B F12 N2 O P | P b c a | 19.5019; 16.3963; 21.7273 90; 90; 90 | 6947.5 | Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W. The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes Chemical Science, 2011, 2, 170 |
1515693 | CIF | C28 H36 N2 O12 Zn | P b c a | 11.8469; 8.7118; 28.9529 90; 90; 90 | 2988.2 | Kawarada, Hikaru; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kuwahara, Shunsuke; Habata, Yoichi; Saito, Ryota Synthesis and in vitro insulin-mimetic activities of zinc(ii) complexes of ethyl 2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrole-3-carboxylates. Metallomics : integrated biometal science, 2011, 3, 675-679 |
1515695 | CIF | C20 H17 Fe N O | P b c a | 17.4825; 7.342; 23.1152 90; 90; 90 | 2966.99 | Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors. Metallomics : integrated biometal science, 2011, 3, 600-608 |
1515722 | CIF | C13 H10 F N | P b c a | 7.5432; 11.7934; 11.8041 90; 90; 90 | 1050.09 | Mondal, Barnali; Captain, Burjor; Ramamurthy, V. Photodimerization of HCl salts of azastilbenes in the solid state. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2011, 10, 891-894 |
1515812 | CIF | C38 H50 N P2 V | P b c a | 18.1601; 19.1808; 20.2261 90; 90; 90 | 7045.3 | Andino, José G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J. Intermolecular C‒H bond activation of benzene and pyridines by a vanadium(iii) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex Chemical Science, 2010, 1, 351 |
1515873 | CIF | C15 H18 O4 | P b c a | 10.8837; 9.9484; 24.339 90; 90; 90 | 2635.3 | Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A. Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones. Organic letters, 2014, 16, 2650-2653 |
1515887 | CIF | C25 H22 N2 O3 | P b c a | 12.8758; 17.5058; 18.2986 90; 90; 90 | 4124.53 | Alam, Rauful; Das, Arindam; Huang, Genping; Eriksson, Lars; Himo, Fahmi; Szabó, Kálmán J. Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines Chemical Science, 2014, 5, 2732 |
1515919 | CIF | C23 H15 B F2 N2 | P b c a | 13.0065; 12.4226; 21.8351 90; 90; 90 | 3528 | Benniston, Andrew C.; Harriman, Anthony; Whittle, Victoria L.; Zelzer, Mischa; Harrington, Ross W.; Clegg, William Exciplex-like emission from a closely-spaced, orthogonally-sited anthracenyl-boron dipyrromethene (Bodipy) molecular dyad. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 1009-1017 |
1515927 | CIF | C22 H19 N | P b c a | 16.1137; 8.8958; 22.983 90; 90; 90 | 3294.5 | Greenberg, Sharonna; Stephan, Douglas W. Hydroamination as a route to nitrogen-containing oligomers Polymer Chemistry, 2010, 1, 1332 |
1515983 | CIF | C36 H44 N4 O4 | P b c a | 12.802; 19.593; 25.555 90; 90; 90 | 6410 | Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D. Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles. Organic letters, 2014, 16, 2764-2767 |
1515984 | CIF | C40 H46 N2 O8 S2 | P b c a | 29.124; 8.811; 29.171 90; 90; 90 | 7486 | Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D. Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles. Organic letters, 2014, 16, 2764-2767 |
1515988 | CIF | C36 H36 N4 O4 | P b c a | 10.915; 10.002; 27.209 90; 90; 90 | 2970.5 | Culf, Adrian S.; Cuperlović-Culf, Miroslava; Léger, Daniel A; Decken, Andreas Small Head-to-Tail Macrocyclic α-Peptoids. Organic letters, 2014, 16, 2780-2783 |
1516061 | CIF | C17 H22 N2 O3 | P b c a | 9.5653; 10.45; 30.655 90; 90; 90 | 3064.2 | Hirschhäuser, Christoph; Parker, Jeremy S.; Perry, Matthew W. D.; Haddow, Mairi F.; Gallagher, Timothy Spiro-fused pyrrolidine, piperidine, and oxindole scaffolds from lactams. Organic letters, 2012, 14, 4846-4849 |
1516140 | CIF | C48 H47.38 B Cl Ir N4 O0.19 | P b c a | 16.815; 17.575; 28.6833 90; 90; 90 | 8476.59 | Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316 |
1516172 | CIF | C10 H9 B F2 N4 | P b c a | 12.306; 9.48; 18.766 90; 90; 90 | 2189.3 | Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole. Organic letters, 2014, 16, 3048-3051 |
1516235 | CIF | C13 H16 O6 | P b c a | 11.5879; 11.617; 19.7761 90; 90; 90 | 2662.19 | Rout, Saroj Kumar; Guin, Srimanta; Ali, Wajid; Gogoi, Anupal; Patel, Bhisma K. Copper-Catalyzed Esterification of Alkylbenzenes with Cyclic Ethers and Cycloalkanes via C(sp(3))-H Activation Following Cross-Dehydrogenative Coupling. Organic letters, 2014, 16, 3086-3089 |
1516265 | CIF | C24 H16 N2 O | P b c a | 14.7042; 8.8119; 27.6407 90; 90; 90 | 3581.46 | Dong, Jiaxing; Wang, Fei; You, Jingsong Copper-Mediated Tandem Oxidative C(sp(2))-H/C(sp)-H Alkynylation and Annulation of Arenes with Terminal Alkynes. Organic letters, 2014, 16, 2884-2887 |
1516273 | CIF | C76 H118 B2 K2 O8 | P b c a | 16.1537; 19.955; 22.8279 90; 90; 90 | 7358.5 | Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole Chemical Science, 2014, 5, 3189 |
1516332 | CIF | C38 H55 F3 O3 P2 Pd S Si | P b c a | 23.517; 21.766; 14.71 90; 90; 90 | 7530 | Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2 Chemical Science, 2014, 5, 3859 |
1516376 | CIF | C10 H14 N4 O6 | P b c a | 17.4174; 7.0176; 19.344 90; 90; 90 | 2364.39 | Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking. The journal of physical chemistry. A, 2009, 113, 11354-11366 |
1516381 | CIF | C23 H18 N2 | P b c a | 15.7; 6.8425; 33.139 90; 90; 90 | 3560 | Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming Effect of ground-state twisting on the trans ‒> cis photoisomerization and TICT state formation of aminostilbenes. The journal of physical chemistry. A, 2009, 113, 4868-4877 |
1516462 | CIF | C29 H22 N2 O2 S | P b c a | 19.6725; 18.2791; 12.5149 90; 90; 90 | 4500.3 | Tokimizu, Yusuke; Oishi, Shinya; Fujii, Nobutaka; Ohno, Hiroaki Gold-Catalyzed Cascade Cyclization of (Azido)ynamides: An Efficient Strategy for the Construction of Indoloquinolines. Organic letters, 2014, 16, 3138-3141 |
1516490 | CIF | C19 H14 O2 | P b c a | 26.9628; 15.3036; 6.9176 90; 90; 90 | 2854.39 | Sundaryono, Agus; Nourmamode, Aziz; Gardrat, Christian; Grelier, Stéphane; Bravic, Georges; Chasseau, Daniel; Castellan, Alain Studies on the photochemistry of 1,7-diphenyl-1,6-heptadiene-3,5-dione, a non-phenolic curcuminoid model Photochemical & Photobiological Sciences, 2003, 2, 914-920 |
1516498 | CIF | C34 H28 N2 O4 | P b c a | 16.1351; 15.7795; 21.2316 90; 90; 90 | 5405.6 | Frischmann, Peter D.; Jiang, Jian; Hui, Joseph K.-H.; Grzybowski, Joseph J.; MacLachlan, Mark J. Reversible-irreversible approach to Schiff base macrocycles: access to isomeric macrocycles with multiple salphen pockets. Organic letters, 2008, 10, 1255-1258 |
1516538 | CIF | C30 H45 As2 Cr3 | P b c a | 15.3898; 18.4053; 21.8004 90; 90; 90 | 6175.05 | Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A. Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide Chemical Science, 2014, 5, 2443 |
1516562 | CIF | C15 H29 B N2 | P b c a | 14.3661; 12.0848; 18.962 90; 90; 90 | 3292 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
1516588 | CIF | C47 H73 N Si Th | P b c a | 10.4251; 20.765; 44.289 90; 90; 90 | 9587.6 | Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D. Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study Chemical Science, 2014, 5, 3165 |
1516611 | CIF | C17 H14 N2 O3 | P b c a | 11.398; 15.357; 16.312 90; 90; 90 | 2855.2 | Griesbeck, Axel G.; Kramer, Wolfgang; Heinrich, Thomas; Lex, Johann Photocyclization of N,N-phthaloylanthranilic amides coupled to ω-amino acids with increasing chain lengths Photochemical & Photobiological Sciences, 2002, 1, 237 |
1516617 | CIF | C23 H25 N O2 | P b c a | 17.47; 11.704; 18.731 90; 90; 90 | 3829.9 | Hopfner, Matthias; Weiß, Harald; Meissner, Dieter; Heinemann, Frank W.; Kisch, Horst Semiconductor photocatalysis type B: synthesis of unsaturated α-amino esters from imines and olefins photocatalyzed by silica-supported cadmium sulfide Photochemical & Photobiological Sciences, 2002, 1, 696-703 |
1516718 | CIF | C33 H28 N2 O2 | P b c a | 12.859; 15.737; 25.688 90; 90; 90 | 5198 | Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule Chemical Science, 2014, 5, 3922 |
1516720 | CIF | C33 H28 N2 O2 | P b c a | 12.852; 15.692; 25.641 90; 90; 90 | 5171 | Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule Chemical Science, 2014, 5, 3922 |
1516741 | CIF | C17 H12 O3 S2 | P b c a | 11.2885; 14.123; 17.4374 90; 90; 90 | 2780 | Sugiyasu, Kazunori; Song, Changsik; Swager, Timothy M. Aromaticity in Tropone-Containing Polythiophene Macromolecules, 2006, 39, 5598 |
1516746 | CIF | C24 H18 B N O3 | P b c a | 14.8638; 15.4624; 16.3768 90; 90; 90 | 3763.9 | Yasuda, Makoto; Yoshioka, Sachiko; Yamasaki, Satoshi; Somyo, Toshio; Chiba, Kouji; Baba, Akio Cage-shaped borate esters with enhanced Lewis acidity and catalytic activity. Organic letters, 2006, 8, 761-764 |
1516760 | CIF | C11 H11 Br O2 S | P b c a | 7.4039; 12.927; 24.736 90; 90; 90 | 2367.5 | Weatherhead-Kloster, Robin A; Corey, E. J. Theory-guided discovery of unique chemical transformations of cyclopropenes. Organic letters, 2006, 8, 171-174 |
1516866 | CIF | C18 H12 I2 N2 O2 Pb2 | P b c a | 9.4814; 11.835; 17.835 90; 90; 90 | 2001.3 | Ezzatollah Najafi; Mostafa M. Amini; Ezeddin Mohajerani; Mohammad Janghouri; Hossein Razavi; Hamidreza Khavasi Fabrication of an organic light-emitting diode (OLED) from a two-dimensional lead(II) coordination polymer Inorganica Chimica Acta, 2013, 399, 119-125 |
1516867 | CIF | C23 H32 Co K N4 O5 | P b c a | 11.6732; 15.9989; 25.6674 90; 90; 90 | 4793.6 | Ryoji Mitsuhashi; Takayoshi Suzuki; Yukinari Sunatsuki; Masaaki Kojima Hydrogen-bonding interactions, geometrical selectivity and spectroscopic properties of cobalt(III) complexes with unsymmetrical tridentate amine-amidato-phenolato type ligands Inorganica Chimica Acta, 2013, 399, 131-137 |
1516882 | CIF | C14 H13 I O2 | P b c a | 7.8201; 15.7081; 21.1791 90; 90; 90 | 2601.6 | Yang, Yanping; Cui, Mengchao; Zhang, Xiaoyang; Dai, Jiapei; Zhang, Zhiyong; Lin, Chunping; Guo, Yuzhi; Liu, Boli Radioiodinated Benzyloxybenzene Derivatives: A Class of Flexible Ligands Target to β-Amyloid Plaques in Alzheimer's Brains. Journal of medicinal chemistry, 2014, 57, 6030-6042 |
1516889 | CIF | C50 H78 O4 Si4 U2 | P b c a | 10.48; 21.616; 23.669 90; 90; 90 | 5361.9 | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes Chemical Science, 2014, 5, 3777 |
1516905 | CIF | C16 H26 N4 Ni O8 | P b c a | 8.884; 12.611; 15.885 90; 90; 90 | 1779.7 | Jing Jin; Yu Ding; Yuan-Yuan Gong; Sheng-Mei Cong; Yu-Xian Chi; Guang-Ning Zhang; Shu-Yun Niu Synthesis, structure and surface photo-electric property of Ni(II) complexes Inorganica Chimica Acta, 2013, 399, 227-235 |
1516966 | CIF | C23 H22 N2 O | P b c a | 9.3932; 18.3398; 23.3368 90; 90; 90 | 4020.2 | Das, Arindam; Alam, Rauful; Eriksson, Lars; Szabó, Kálmán J Stereocontrol in synthesis of homoallylic amines. Syn selective direct allylation of hydrazones with allylboronic acids. Organic letters, 2014, 16, 3808-3811 |
1517007 | CIF | C51 H44 Cl2 N4 Zn | P b c a | 10.2526; 22.0749; 38.2732 90; 90; 90 | 8662.2 | Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn Inorganica Chimica Acta, 2013, 401, 38-49 |
1517016 | CIF | C47 H36 Mn3 N4 O13 S6 | P b c a | 19.1258; 23.0759; 23.544 90; 90; 90 | 10391 | Reda F.M. Elshaarawy; Yanhua Lan; Christoph Janiak Oligonuclear homo- and mixed-valence manganese complexes based on thiophene- or aryl-carboxylate ligation: Synthesis, characterization and magnetic studies Inorganica Chimica Acta, 2013, 401, 85-94 |
1517017 | CIF | C45 H33 Mn3 N3 O14 S6 | P b c a | 18.974; 22.931; 23.64 90; 90; 90 | 10286 | Reda F.M. Elshaarawy; Yanhua Lan; Christoph Janiak Oligonuclear homo- and mixed-valence manganese complexes based on thiophene- or aryl-carboxylate ligation: Synthesis, characterization and magnetic studies Inorganica Chimica Acta, 2013, 401, 85-94 |
1517020 | CIF | C22 H26 N2 O4 | P b c a | 11.5485; 16.5802; 20.5991 90; 90; 90 | 3944.24 | Schurgers, Ben; Brigou, Ben; Urbanczyk-Lipkowska, Zofia; Tourwé, Dirk; Ballet, Steven; De Proft, Frank; Van Lommen, Guy; Verniest, Guido Synthesis of Fused 3-Aminoazepinones via Trapping of a New Class of Cyclic Seven-Membered Allenamides with Furan. Organic letters, 2014, 16, 3712-3715 |
1517097 | CIF | C13 H14 Mo O5 | P b c a | 10.3022; 11.1065; 23.6758 90; 90; 90 | 2709 | Grover, Nidhi; Pöthig, Alexander; Kühn, Fritz E. Cyclopentadienyl molybdenum alkyl ester complexes as catalyst precursors for olefin epoxidation Catal. Sci. Technol., 2014, 4, 4219 |
1517175 | CIF | C9 H18 Br3 Fe Ga O3 P2 | P b c a | 17.8212; 16.529; 26.155 90; 90; 90 | 7704.4 | Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science, 2014, 5, 4099 |
1517236 | CIF | C14 H13 N O5 | P b c a | 6.9386; 15.1121; 23.6998 90; 90; 90 | 2485.09 | Logan, Angus W. J.; Sprague, Simon J.; Foster, Robert W.; Marx, Léo B; Garzya, Vincenzo; Hallside, Michal S.; Thompson, Amber L.; Burton, Jonathan W. Diastereoselective synthesis of fused lactone-pyrrolidinones; application to a formal synthesis of (-)-salinosporamide a. Organic letters, 2014, 16, 4078-4081 |
1517254 | CIF | C22 H25 N3 O2 | P b c a | 11.1623; 13.076; 27.158 90; 90; 90 | 3963.9 | Galvez, Jaime; Castillo, Juan-Carlos; Quiroga, Jairo; Rajzmann, Michel; Rodriguez, Jean; Coquerel, Yoann Divergent Chemo-, Regio-, and Diastereoselective Normal Electron-Demand Povarov-Type Reactions with α-Oxo-ketene Dienophiles. Organic letters, 2014, 16, 4126-4129 |
1517421 | CIF | C23 H21 N O3 S | P b c a | 6.387; 16.5721; 37.2128 90; 90; 90 | 3938.8 | Ma, Xueji; Pan, Shanfei; Wang, Hangxiang; Chen, Wanzhi Rhodium-Catalyzed Transannulation of N-Sulfonyl-1,2,3-triazoles and Epoxides: Regioselective Synthesis of Substituted 3,4-Dihydro-2H-1,4-oxazines. Organic letters, 2014, 16, 4554 |
1517491 | CIF | C13 H27 N5 O2 | P b c a | 12.6187; 15.3717; 15.8322 90; 90; 90 | 3070.99 | Polenz, I.; Laue, A.; Uhrin, T.; Rüffer, T.; Lang, H.; Schmidt, F. G.; Spange, S. Thermally cleavable imine base/isocyanate adducts and oligomers suitable as initiators for radical homo- and copolymerization Polym. Chem., 2014, 5, 6678 |
1517559 | CIF | C28 H16 F2 | P b c a | 10.498; 7.559; 23.466 90; 90; 90 | 1862.1 | Shen, Junjian; Yuan, Dafei; Qiao, Yan; Shen, Xingxing; Zhang, Zhongbo; Zhong, Yuwu; Yi, Yuanping; Zhu, Xiaozhang Diaceno[a,e]pentalenes from Homoannulations of o-Alkynylaryliodides Utilizing a Unique Pd(OAc)2/n-Bu4NOAc Catalytic Combination. Organic letters, 2014, 16, 4924-4927 |
1517649 | CIF | C16 H18 N2 O4 S Zn | P b c a | 16.739; 9.557; 20.295 90; 90; 90 | 3246.7 | Ying-Ying Liu; Jie Liu; Jin Yang; Bo Liu; Jian-Fang Ma Eight coordination compounds based on a reduced Schiff base tetraaminodiphenol macrocyclic ligand Inorganica Chimica Acta, 2013, 403, 85-96 |
1517668 | CIF | C22 H22 N2 O3 | P b c a | 9.00239; 14.4646; 27.9468 90; 90; 90 | 3639.12 | Drouhin, Pauline; Hurst, Timothy E.; Whitwood, Adrian C.; Taylor, Richard J. K. Copper-Mediated Construction of Spirocyclic Bis-oxindoles via a Double C-H, Ar-H Coupling Process. Organic letters, 2014, 16, 4900-4903 |
1517738 | CIF | C44 H50 N4 Zn | P b c a | 15.291; 15.0222; 32.525 90; 90; 90 | 7471.1 | Trinh, Cong; Kirlikovali, Kent; Das, Saptaparna; Ener, Maraia E.; Gray, Harry B.; Djurovich, Peter; Bradforth, Stephen E.; Thompson, Mark E. Symmetry-Breaking Charge Transfer of Visible Light Absorbing Systems: Zinc Dipyrrins. The journal of physical chemistry. C, Nanomaterials and interfaces, 2014, 118, 21834-21845 |
1517778 | CIF | C38 H33 Cl3 F3 Fe N4 O3 P Pd S | P b c a | 21.122; 18.0874; 21.51 90; 90; 90 | 8217.7 | Hong-Mei Li; Chen Xu; Xin-Qi Hao; Zhen Li; Zhi-Qiang Wang; Wei-Jun Fu; Mao-Ping Song Cationic cyclopalladated ferrocenylpyrimidine complex as an efficient catalyst for the synthesis of substituted biarylmethanol by the Suzuki reaction in water Inorganica Chimica Acta, 2013, 404, 236-240 |
1517806 | CIF | C34 H46 Cl2 N10 O2 Pt | P b c a | 10.5253; 17.2681; 20.8581 90; 90; 90 | 3791 | Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu Anionic halide···alcohol clusters in the solid state. The journal of physical chemistry. A, 2014, 118, 9529-9539 |
1517807 | CIF | C36 H50 Cl2 N10 O2 Pt | P b c a | 10.4214; 17.7041; 21.4018 90; 90; 90 | 3948.66 | Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu Anionic halide···alcohol clusters in the solid state. The journal of physical chemistry. A, 2014, 118, 9529-9539 |
1517810 | CIF | C40 H54 Cl2 N10 O4 Pt | P b c a | 10.7643; 17.784; 22.2899 90; 90; 90 | 4267.01 | Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu Anionic halide···alcohol clusters in the solid state. The journal of physical chemistry. A, 2014, 118, 9529-9539 |
1517851 | CIF | C23 H17 N O6 | P b c a | 21.073; 7.448; 23.393 90; 90; 90 | 3671.6 | Velasco, V.; Aguilà, D.; Barrios, L. A.; Borilovic, I.; Roubeau, O.; Ribas-Ariño, J.; Fumanal, M.; Teat, S. J.; Aromí, G. New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32−species Chem. Sci., 2015, 6, 123 |
1517885 | CIF | C24 H9 B F18 | P b c a | 15.56; 8.7136; 35.624 90; 90; 90 | 4830 | Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B. Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups Chem. Sci., 2015, 6, 308 |
1517920 | CIF | C18 H14 B N | P b c a | 7.3708; 28.754; 12.9255 90; 90; 90 | 2739.4 | Sun, Feiye; Lv, Lily; Huang, Min; Zhou, Zhaohui; Fang, Xiangdong Palladium-catalyzed cross-coupling reactions of 4a,8a-azaboranaphthalene. Organic letters, 2014, 16, 5024-5027 |
1517923 | CIF | C20 H21 Br F N O2 S | P b c a | 18.6948; 7.70147; 26.3894 90; 90; 90 | 3799.48 | Romanov-Michailidis, Fedor; Pupier, Marion; Besnard, Céline; Bürgi, Thomas; Alexakis, Alexandre Enantioselective Catalytic Fluorinative Aza-semipinacol Rearrangement. Organic letters, 2014, 16, 4988-4991 |
1517949 | CIF | C30 H23 F N2 O | P b c a | 8.0593; 22.292; 25.202 90; 90; 90 | 4527.7 | Pusch, Stefan; Opatz, Till A photochemical one-pot three-component synthesis of tetrasubstituted imidazoles. Organic letters, 2014, 16, 5430-5433 |
1517964 | CIF | C36 H30 Cl4 Ni P2 | P b c a | 17.435; 15.662; 24.139 90; 90; 90 | 6592 | Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G. Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl Chem. Sci., 2015, 6, 917 |
1517971 | CIF | C18 H15 Au Br N | P b c a | 15.9554; 11.7205; 16.839 90; 90; 90 | 3148.98 | Wu, Qian; Du, Chenglong; Huang, Yumin; Liu, Xingyan; Long, Zhen; Song, Feijie; You, Jingsong Stoichiometric to catalytic reactivity of the aryl cycloaurated species with arylboronic acids: insight into the mechanism of gold-catalyzed oxidative C(sp2)‒H arylation Chem. Sci., 2015, 6, 288 |
1518189 | CIF | C49 H66 O2 | P b c a | 10.7295; 25.4389; 32.8409 90; 90; 90 | 8963.8 | Zhang, Jinjin; Xiong, Jiao; Sun, Yangyang; Tang, Ning; Wu, Jincai Highly Iso-Selective and Active Catalysts of Sodium and Potassium Monophenoxides Capped by a Crown Ether for the Ring-Opening Polymerization ofrac-Lactide Macromolecules, 2014, 47, 7789 |
1518195 | CIF | C16 H19 N O3 | P b c a | 37.202; 8.9299; 9.4735 90; 90; 90 | 3147.2 | Li, Pan; Zhao, Jingjing; Xia, Chungu; Li, Fuwei Direct oxidative coupling of enamides and 1,3-dicarbonyl compounds: a facile and versatile approach to dihydrofurans, furans, pyrroles, and dicarbonyl enamides. Organic letters, 2014, 16, 5992-5995 |
1518289 | CIF | C32 H27 N | P b c a | 14.348; 16.969; 19.737 90; 90; 90 | 4805.4 | Gangadhararao, G.; Uruvakilli, Anasuyamma; Swamy, K. C. Kumara Brønsted Acid Mediated Alkenylation and Copper-Catalyzed Aerobic Oxidative Ring Expansion/Intramolecular Electrophilic Substitution of Indoles with Propargyl Alcohols: A Novel One-Pot Approach to Cyclopenta[c]quinolines. Organic letters, 2014, 16, 6060 |
1518315 | CIF | C29 H34 Cd N4 O5 | P b c a | 17.061; 14.6879; 22.0163 90; 90; 90 | 5517.1 | Ran, Yungen; Xie, Jixing; Mu, Yajuan; Zhang, Linfen; Han, Bo A series of 2D Cd(II) coordination polymers constructed from dicarboxylate acids and a flexible imidazole-based ligand Inorganica Chimica Acta, 2015, 425, 17-27 |
1518322 | CIF | C16 H17 N3 O2 | P b c a | 11.4611; 8.8278; 28.757 90; 90; 90 | 2909.5 | Mishra, Monika; Tiwari, Karishma; Singh, Ashish Kumar; Singh, Vinod P. Versatile coordination behaviour of a multi-dentate Schiff base with manganese(II), copper(II) and zinc(II) ions and their corrosion inhibition study Inorganica Chimica Acta, 2015, 425, 36-45 |
1518430 | CIF | C27 H24 O3 | P b c a | 16.33; 15.14; 17.416 90; 90; 90 | 4306 | Seetha Lakshmi, K. C.; Krishnan, Jagadeesh; Sinu, C. R.; Varughese, Sunil; Nair, Vijay N-heterocyclic carbene catalyzed annulation of enals to aurone analogs: synthesis of cyclopentene-fused spirobenzofuran-3-ones. Organic letters, 2014, 16, 6374-6377 |
1518447 | CIF | C67 F6 | P b c a | 9.9998; 20.6538; 31.3512 90; 90; 90 | 6475.1 | San, Long K.; Bukovsky, Eric V.; Larson, Bryon W.; Whitaker, James B.; Deng, S. H. M.; Kopidakis, Nikos; Rumbles, Garry; Popov, Alexey A.; Chen, Yu-Sheng; Wang, Xue-Bin; Boltalina, Olga V.; Strauss, Steven H. A faux hawk fullerene with PCBM-like properties Chem. Sci., 2015, 6, 1801 |
1518482 | CIF | C24 H20 N2 O | P b c a | 8.8127; 13.2298; 32.5 90; 90; 90 | 3789.2 | Fan, Zhoulong; Song, Shanshan; Li, Wei; Geng, Kaijun; Xu, Youjun; Miao, Ze-Hong; Zhang, Ao Rh(III)-Catalyzed Redox-Neutral C-H Activation of Pyrazolones: An Economical Approach for the Synthesis of N-Substituted Indoles. Organic letters, 2015, 17, 310-313 |
1518512 | CIF | C30 H35 N3 O Se Si | P b c a | 13.2692; 19.8926; 20.979 90; 90; 90 | 5537.6 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
1518555 | CIF | C12 H26 F6 K O6 P | P b c a | 15.404; 15.758; 16.51 90; 90; 90 | 4007.6 | Mandai, Toshihiko; Yoshida, Kazuki; Tsuzuki, Seiji; Nozawa, Risa; Masu, Hyuma; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi Effect of ionic size on solvate stability of glyme-based solvate ionic liquids. The journal of physical chemistry. B, 2015, 119, 1523-1534 |
1518587 | CIF | C56 H92 Cl2 Co2 I2 N4 P4 Ti2 | P b c a | 18.6991; 16.4217; 21.8753 90; 90; 90 | 6717.3 | Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes Chem. Sci., 2015, 6, 2044 |
1518718 | CIF | C18 H26 O4 Si | P b c a | 16.759; 7.4334; 30.141 90; 90; 90 | 3754.9 | Xu, Xinfang; Wang, Xiangbo; Zavalij, Peter Y.; Doyle, Michael P. Straightforward Access to the [3.2.2]Nonatriene Structural Framework via Intramolecular Cyclopropenation/Buchner Reaction/Cope Rearrangement Cascade. Organic letters, 2015, 17, 790-793 |
1518735 | CIF | C46 H34 N4 O4 | P b c a | 10.981; 16.009; 19.987 90; 90; 90 | 3513.6 | Nielsen, Christian Benedikt Orea; Sørensen, Henning Osholm; Kongsted, Jacob Comparison between Theoretically and Experimentally Determined Electronic Properties: Applications to Two-Photon Singlet Oxygen Sensitizers. The journal of physical chemistry. A, 2015, 119, 1906-1916 |
1518748 | CIF | C15 H11 Br N4 O2 | P b c a | 10.784; 9.6655; 28.858 90; 90; 90 | 3007.9 | Chen, Yunfeng; Nie, Gang; Zhang, Qi; Ma, Shan; Li, Huan; Hu, Qinquan Copper-Catalyzed [3 + 2] Cycloaddition/Oxidation Reactions between Nitro-olefins and Organic Azides: Highly Regioselective Synthesis of NO2-Substituted 1,2,3-Triazoles. Organic letters, 2015, 17, 1118-1121 |
1518770 | CIF | C20 H16 Cl4 N2 | P b c a | 11.2813; 14.1148; 24.5832 90; 90; 90 | 3914.5 | Zhan, Ming; Zhang, Shaoguang; Huang, Zhe; Xi, Zhenfeng Synthesis of α,α,α',α'-Tetrachloro-Δ(1)-bipyrrolines and 4,8-Dichloro-2,6-diazasemibuvallenes. Organic letters, 2015, 17, 1026-1029 |
1518908 | CIF | C59 H61 Si2 | P b c a | 34.006; 7.6167; 36.832 90; 90; 90 | 9540 | Sbargoud, Kamal; Mamada, Masashi; Marrot, Jérôme; Tokito, Shizuo; Yassar, Abderrahim; Frigoli, Michel Diindeno[1,2-b:2′,1′-n]perylene: a closed shell related Chichibabin's hydrocarbon, the synthesis, molecular packing, electronic and charge transport properties Chem. Sci., 2015, 6, 3402 |
1518941 | CIF | C14 H19 N O3 S | P b c a | 8.4818; 10.9461; 30.035 90; 90; 90 | 2788.5 | Druzhenko, Tetiana; Denisenko, Olexandr; Kheylik, Yuri; Zozulya, Sergey; Shishkina, Svitlana S.; Tolmachev, Andrei; Mykhailiuk, Pavel K. Design, Synthesis, and Characterization of SO2-Containing Azabicyclo[3.n.1]alkanes: Promising Building Blocks for Drug Discovery. Organic letters, 2015, 17, 1922-1925 |
1519006 | CIF | C2 H9 Al3 N O13 P3 | P b c a | 13.678; 10.318; 17.357 90; 90; 90 | 2449.6 | Soulard, M.; Patarin, J.; Marler, B. Synthesis and structure of Mu-10 : a novel microporous hydroxyaluminophosphate (CH3)2NH2.Al3P3O12OH closely related to AlPO4-EN3 Solid State Sciences, 1999, 1, 37-53 |
1519082 | CIF | C11 H24 Cl N5 Ni O7 | P b c a | 14.586; 14.973; 15.218 90; 90; 90 | 3323.6 | Sanzenbacher, Ralf; Sotofte, Inger; Springborg, Johan Nickel(II) Complexes with [2(4).3(1)]Adamanzane, 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane Acta Chemica Scandinavica, 1999, 53, 457-464 |
1519098 | CIF | Bi Nb O8 Te2 | P b c a | 5.6109; 8.1277; 31.205 90; 90; 90 | 1423.1 | S. Blanchandin; J.C. Champarnaud-Mesjard; P. Thomas; B. Frit Crystal structure of BiNbTe2O8 Solid State Sciences, 2000, 2, 223-228 |
1519147 | CIF | C16 H30 Cl2 N P Se Ti | P b c a | 8.813; 15.0422; 31.232 90; 90; 90 | 4140 | Bochmann, Manfred; Hursthouse, Michael B.; Coles, Simon J. C16H30Cl2NPSeTi Crystal Structure Report Archive, 1994, 1191 |
1519150 | CIF | C35 H66 Cl2 N2 P2 Se2 Ti | P b c a | 13.233; 17.2161; 35.163 90; 90; 90 | 8011 | Bochmann, Manfred; Coles, Simon J.; Hursthouse, Michael B. C28H58Cl2N2P2Se2Ti, C7H8 Crystal Structure Report Archive, 1994, 1196 |
1519177 | CIF | C24 H15 Cl Fe O2 | P b c a | 7.594; 15.177; 31.13 90; 90; 90 | 3588 | Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B. C25H15ClFeO2 Crystal Structure Report Archive, 1997, 1039 |
1519180 | CIF | C10 H8 Cl2 N4 | P b c a | 7.23; 15.594; 19.618 90; 90; 90 | 2211.8 | Blake, Alexander J.; Light, Mark E.; Hursthouse, Michael B. C10H8Cl2N4 Crystal Structure Report Archive, 1997, 1206 |
1519181 | CIF | C24 H15 Cl Fe O2 | P b c a | 7.594; 15.177; 31.134 90; 90; 90 | 3588 | Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B. C24H15ClFeO2 Crystal Structure Report Archive, 1997, 1016 |
1519183 | CIF | C24 H18 Fe | P b c a | 10.7966; 17.6155; 17.888 90; 90; 90 | 3402.1 | Butler, Ian. R.; Coles, Simon J.; Hursthouse, Michael B. C24H18Fe Crystal Structure Report Archive, 1997, 765 |
1519208 | CIF | C6 H8 N2 O2 S | P b c a | 14.6; 5.572; 18.483 90; 90; 90 | 1503.6 | Coles, Simon J.; Hursthouse, Michael B.; Ward, Suzanna C.; Threlfall, Terry L. 4-Amino-benzenesulfonamide Crystal Structure Report Archive, 1999, 170 |
1519216 | CIF | C6 H8 N2 O2 S | P b c a | 14.784; 5.67; 18.492 90; 90; 90 | 1550.1 | Threlfall, Terry L.; Coles, Simon J.; Ward, Suzanna C.; Hursthouse, Michael B. 4-Amino-benzenesulfonamide Crystal Structure Report Archive, 1999, 166 |
1519228 | CIF | C6 H8 N2 O2 S | P b c a | 14.784; 5.67; 18.492 90; 90; 90 | 1550.1 | Coles, Simon J.; Hursthouse, Michael B.; Ward, Suzanna C.; Threlfall, Terry L. 4-Amino-benzenesulfonamide Crystal Structure Report Archive, 1999, 173 |
1519237 | CIF | C12 H12 N2 O2 S | P b c a | 8.8098; 10.574; 24.736 90; 90; 90 | 2304.3 | Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L. N-(4-Methyl-1H-pyridin-2-ylidene)-benzenesulfonamide Crystal Structure Report Archive, 2000, 177 |
1519268 | CIF | C11 H15 B O2 | P b c a | 7.515; 9.3921; 30.7365 90; 90; 90 | 2169.43 | Gelbrich, Thomas; Sampson, David; Hursthouse, Michael B. (E)-5-Phenyl-pent-1-enyl-boronic acid Crystal Structure Report Archive, 2000, 528 |
1519319 | CIF | C55 H60 Cl13 N O P2 Ru2 | P b c a | 19.1002; 21.7245; 29.1929 90; 90; 90 | 12113.4 | Smith, Matin, B.; Gelbrich, Thomas; Hursthouse, Michael B. C52H57NOP2Cl4Ru2 . 3CDCl3 Crystal Structure Report Archive, 2001, 835 |
1519327 | CIF | C21 H16 O9 | P b c a | 7.4181; 16.6837; 27.9934 90; 90; 90 | 3464.5 | Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.; Subhash, P. V.; Moinuddin, S. G. A.; Kamakshi, C.; Venkateswarlu, R.; Ward, R. S.; Pelter, A. Methyl 1,2-(acetoxy-C,O)-3-hydroxy-5,6-(methylenedioxy-O,O')-3- (3,4-methylenedioxyphenyl)indan-2-carboxylate Crystal Structure Report Archive, 2001, 69 |
1519328 | CIF | C23 H24 O9 | P b c a | 14.1493; 17.3003; 17.434 90; 90; 90 | 4267.6 | Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.; Subhash, P. V.; Moinuddin, S. G. A.; Kamakshi, C.; Venkateswarlu, R.; Ward, R. S.; Pelter, A. Methyl 1,2-(acetoxy-C,O)-3-hydroxy-5,6-dimethoxy-3-(3,4-dimethyloxyphenyl) indan-2-carboxylate Crystal Structure Report Archive, 2001, 70 |
1519396 | CIF | C32 H83 K N3 O7.5 Si6 Th | P b c a | 20.457; 20.307; 25.358 90; 90; 90 | 10534 | Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W. Thorium‒ligand multiple bonds via reductive deprotection of a trityl group Chem. Sci., 2015, 6, 3891 |
1519447 | CIF | C14 H13 N3 O | P b c a | 6.3542; 7.6624; 49.231 90; 90; 90 | 2397 | Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A. Structural insights into the hexamorphic system of an isoniazid derivative CrystEngComm, 2015, 17, 5143 |
1519483 | CIF | C17 H27 Fe I N2 | P b c a | 12.1886; 9.5923; 31.3227 90; 90; 90 | 3662.15 | Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B. C17H27FeIN2 Crystal Structure Report Archive, 2002, 909 |
1519488 | CIF | C30 H26 Fe N2 O3 | P b c a | 6.0816; 24.8503; 31.12 90; 90; 90 | 4703.2 | Warriner, C. N.; Denuault, G.; Gale, Phil A.; Horton, Peter N.; Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B. 2-(N-Ferrocenylmethylcarbamoyl)-5-(methoxycarbonyl)-3,4-diphenylpyrrole Crystal Structure Report Archive, 2002, 25 |
1519508 | CIF | C18 H20 N4 O2 | P b c a | 10.6683; 10.8869; 29.919 90; 90; 90 | 3474.93 | Jones, Ray C.F.; Horton, Peter N.; Hursthouse, Michael B. C18H20N4O2 Crystal Structure Report Archive, 2002, 940 |
1519509 | CIF | C22 H31 F6 N5 O4 P | P b c a | 16.1973; 9.3378; 34.0104 90; 90; 90 | 5144 | Light, Mark E.; Camiolo, S.; Navakhun, K.; Gale, Phil A.; Hursthouse, Michael B. 3,4-Diphenyl-1H-pyrrole-2,5-dicarboxylic acid bis-[(2-amino-ethyl)-amide] hexafluorophosphate dihydrate Crystal Structure Report Archive, 2002, 19 |
1519518 | CIF | C24 H36 O18 Si12 | P b c a | 17.4597; 17.3538; 28.3363 90; 90; 90 | 8585.7 | Taylor, Peter G.; Horton, Peter N.; Hursthouse, Michael B. C24H36O18Si12 Crystal Structure Report Archive, 2002, 934 |
1519528 | CIF | C20 H33 Br N2 O | P b c a | 16.6539; 8.8554; 56.7289 90; 90; 90 | 8366.2 | Butts, Craig; Coles, Simon J.; Hursthouse, Michael B. C20H33BrN2O Crystal Structure Report Archive, 2002, 998 |
1519539 | CIF | C21 H21 N O2 | P b c a | 14.0392; 13.8109; 16.9908 90; 90; 90 | 3294.41 | Cunnigham, Ian; Horton, Peter N.; Hursthouse, Michael B. N-methacryloyl-N-5,6,7,8-tetrahydronaphthalen-1-ylbenzamide Crystal Structure Report Archive, 2003, 886 |
1519572 | CIF | C13 H10 F4 I2 N2 O2 S | P b c a | 21.0514; 7.0276; 24.2942 90; 90; 90 | 3594.1 | Bricklebank, Neil; Coles, Simon J.; Hursthouse, Michael B. C13H10F4I2N2O2S Crystal Structure Report Archive, 2003, 900 |
1519594 | CIF | C14 H20 O5 | P b c a | 16.4963; 8.325; 20.061 90; 90; 90 | 2755 | Rousay, Esther; Frey, Jeremy G.; Coles, Simon J.; Hursthouse, Michael B. 6,7,9,10,12,13,15,16-Octahydro-benzo-1,4,7,10,13-pentaoxacyclopentadecin Crystal Structure Report Archive, 2004, 145 |
1519632 | CIF | C15 H12 Mo O3 | P b c a | 16.6109; 8.7885; 17.8015 90; 90; 90 | 2598.75 | Graser, Lilian; Reich, Robert M.; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz E. Aryl-substituted organomolybdenum(ii) complexes as olefin epoxidation catalysts Catal. Sci. Technol., 2015, 5, 4772 |
1519733 | CIF | C11 H15 F6 N2 P | P b c a | 9.2017; 16.0731; 18.2782 90; 90; 90 | 2703.34 | Butts, Craig; Coles, Simon J.; Hursthouse, Michael B. C11H15F6N2P Crystal Structure Report Archive, 2004, 967 |
1519750 | CIF | C16 H24 N2 Ru | P b c a | 7.747; 15.519; 25.745 90; 90; 90 | 3095 | Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.; Coles, Simon J. C16H24N2Ru Crystal Structure Report Archive, 2005, 1103 |
1519757 | CIF | C10 H7 Br Cl2 N2 O | P b c a | 12.6226; 12.3709; 14.1124 90; 90; 90 | 2203.7 | Gurry, Michael; Sweeney, Martin; McArdle, Patrick; Aldabbagh, Fawaz One-pot hydrogen peroxide and hydrohalic Acid induced ring closure and selective aromatic halogenation to give new ring-fused benzimidazoles. Organic letters, 2015, 17, 2856-2859 |
1519761 | CIF | C11 H9 Br2 F N2 | P b c a | 14.443; 7.5861; 21.306 90; 90; 90 | 2334.4 | Gurry, Michael; Sweeney, Martin; McArdle, Patrick; Aldabbagh, Fawaz One-pot hydrogen peroxide and hydrohalic Acid induced ring closure and selective aromatic halogenation to give new ring-fused benzimidazoles. Organic letters, 2015, 17, 2856-2859 |
1519805 | CIF | C10 H9 N O S | P b c a | 14.2845; 5.4226; 22.7593 90; 90; 90 | 1762.92 | Huth, Susanne L.; Hursthouse, Michael B. (6-Thien-2-ylpyrid-3-yl)methanol Crystal Structure Report Archive, 2007, 373 |
1519806 | CIF | C20 H30 Cl N O2 S | P b c a | 13.0538; 15.5288; 19.1088 90; 90; 90 | 3873.54 | Stephenson, Richard A; Dobbs, Adrian; Hursthouse, Michael B. C20H30Cl1N1O2S1 Crystal Structure Report Archive, 2007, 388 |
1519818 | CIF | C9 H18 Cl4 N3 O2 P3 | P b c a | 11.4593; 16.8538; 19.0612 90; 90; 90 | 3681.34 | Kilic, A.; Besli, S.; Coles, Simon J.; Hursthouse, Michael B. C9H18Cl4N3O2P3 Crystal Structure Report Archive, 2007, 317 |
1519965 | CIF | C12 H28 N2 O6 | P b c a | 13.3732; 8.5025; 27.693 90; 90; 90 | 3148.9 | Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L. Di(1-butylammonium) DL-tartrate Crystal Structure Report Archive, 2008, 580 |
1519990 | CIF | C4 H8 Cl4 N3 O2 P3 | P b c a | 12.3344; 13.3334; 15.9953 90; 90; 90 | 2630.58 | Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Uslu, A. C4H8Cl4N3O2P3 Crystal Structure Report Archive, 2008, 485 |
1520042 | CIF | C26 H22 Br2 N2 O4 | P b c a | 11.755; 20.78; 21.031 90; 90; 90 | 5137 | Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs Chem. Sci., 2015, 6, 4690 |
1520065 | CIF | C29 H34 F3 Ir N2 O4 | P b c a | 20.8528; 11.8997; 22.661 90; 90; 90 | 5623.1 | Zhou, Meng; Johnson, Samantha I.; Gao, Yang; Emge, Thomas J.; Nielsen, Robert J.; Goddard, William A.; Goldman, Alan S. Activation and Oxidation of Mesitylene C‒H Bonds by (Phebox)Iridium(III) Complexes Organometallics, 2015, 34, 2879 |
1520066 | CIF | C29 H37 Ir N2 O4 | P b c a | 20.532; 11.9277; 22.489 90; 90; 90 | 5507.5 | Zhou, Meng; Johnson, Samantha I.; Gao, Yang; Emge, Thomas J.; Nielsen, Robert J.; Goddard, William A.; Goldman, Alan S. Activation and Oxidation of Mesitylene C‒H Bonds by (Phebox)Iridium(III) Complexes Organometallics, 2015, 34, 2879 |
1520086 | CIF | C92 H129 Co2 Dy5 N10 O37 | P b c a | 28.3983; 17.1091; 23.8614 90; 90; 90 | 11593.5 | Berkoff, Benjamin; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Escuer, Albert; Kostakis, George E. A new family of high nuclearity Co(II)/Dy(III) coordination clusters possessing robust and unseen topologies. Dalton transactions (Cambridge, England : 2003), 2015, 44, 12788-12795 |
1520144 | CIF | C3 H4 Br Cl4 N4 O4 P3 | P b c a | 13.0288; 12.2797; 18.0331 90; 90; 90 | 2885.11 | Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Uslu, A. C3H4BrCl4N4O4P3 Crystal Structure Report Archive, 2008, 487 |
1520181 | CIF | C8 H8 F N O | P b c a | 10.5132; 9.4393; 15.1635 90; 90; 90 | 1504.78 | Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-(2-fluorophenyl)acetamide Crystal Structure Report Archive, 2008, 1362 |
1520182 | CIF | C8 H8 F N O | P b c a | 12.1766; 9.5024; 12.9638 90; 90; 90 | 1500 | Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-(3-fluorophenyl)acetamide Crystal Structure Report Archive, 2008, 1373 |
1520186 | CIF | C9 H10 Br N O | P b c a | 9.3819; 9.2804; 20.7436 90; 90; 90 | 1806.1 | Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-(4-bromophenyl)propanamide Crystal Structure Report Archive, 2008, 537 |
1520204 | CIF | C18 H14 N4 O | P b c a | 14.7295; 14.7023; 26.7711 90; 90; 90 | 5797.5 | Collins, Ian; Smyth, Lynette A.; Horton, Peter N.; Hursthouse, Michael B. 3-Amino-2,6-diphenyl-2,5-dihydro-pyrazolo[4,3-c]pyridin-4-one Crystal Structure Report Archive, 2008, 444 |
1520243 | CIF | C8 H10 N2 O | P b c a | 11.9225; 7.2026; 17.4291 90; 90; 90 | 1496.69 | Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-(4-aminophenyl)acetamide Crystal Structure Report Archive, 2008, 1391 |
1520249 | CIF | C8 H10 N2 O | P b c a | 11.9225; 7.2026; 17.4291 90; 90; 90 | 1496.69 | Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-(4-aminophenyl)acetamide Crystal Structure Report Archive, 2008, 546 |
1520251 | CIF | C9 H8 F3 N O | P b c a | 9.663; 9.2888; 19.8221 90; 90; 90 | 1779.19 | Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-[4-(trifluoromethyl)phenyl]acetamide Crystal Structure Report Archive, 2008, 1384 |
1520256 | CIF | C9 H11 N O2 | P b c a | 9.1172; 7.495; 24.6628 90; 90; 90 | 1685.29 | Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-(4-methoxyphenyl)acetamide Crystal Structure Report Archive, 2008, 1392 |
1520259 | CIF | C9 H11 N O2 | P b c a | 9.1172; 7.495; 24.6628 90; 90; 90 | 1685.29 | Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.; Coles, Simon J. N-(4-methoxyphenyl)acetamide Crystal Structure Report Archive, 2008, 543 |
1520294 | CIF | C7 H10 Cl N | P b c a | 7.3965; 14.3362; 14.5021 90; 90; 90 | 1537.77 | Rumyantsev, Misha; Sitnikov, Nikolay S.; Somov, Nikolay V. Hydrogen-bond-assisted organocatalytic acetalization of secondary alcohols: experimental and theoretical studies. The journal of physical chemistry. A, 2015, 119, 4108-4117 |
1520315 | CIF | C12 H20 B F2 N O4 | P b c a | 16.8311; 9.1985; 18.0999 90; 90; 90 | 2802.24 | Roßbach, Jan; Harms, Klaus; Koert, Ulrich α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements. Organic letters, 2015, 17, 3122-3125 |
1520363 | CIF | C15 H19 Cl N4 O7 Si | P b c a | 6.87; 23.3867; 24.351 90; 90; 90 | 3912.4 | Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B. C15H19ClN4O7Si Crystal Structure Report Archive, 2009, 711 |
1520391 | CIF | C37 H60 Cl Fe O4 P2 Rh | P b c a | 16.8121; 19.229; 22.968 90; 90; 90 | 7425.1 | Coles, Simon J.; Hursthouse, Michael B.; Butler, I. R. C37H60ClFeO4P2Rh Crystal Structure Report Archive, 2009, 654 |
1520400 | CIF | C8 H8 Cl N O | P b c a | 10.5174; 9.4252; 16.2656 90; 90; 90 | 1612.39 | Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-(2-chlorophenyl)acetamide Crystal Structure Report Archive, 2009, 1368 |
1520419 | CIF | C13 H15 Cl N2 O2 Si | P b c a | 11.8719; 15.0801; 15.5429 90; 90; 90 | 2782.64 | Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B. C13H15ClN2O2Si Crystal Structure Report Archive, 2009, 651 |
1520426 | CIF | C20 H17 Fe N O | P b c a | 17.4825; 7.342; 23.1152 90; 90; 90 | 2966.99 | Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B. C20H17FeNO Crystal Structure Report Archive, 2009, 648 |
1520435 | CIF | C7.5 H9.5 N4.5 O0.5 Zn | P b c a | 15.5741; 14.8047; 18.4602 90; 90; 90 | 4256.4 | Cheetham, A.K.; Bennett, T.D.; Callear, Samantha K.; Hursthouse, Michael B. C7.5H9.5N4.5O0.5Zn Crystal Structure Report Archive, 2009, 625 |
1520449 | CIF | C16 H15 N O2 S Se | P b c a | 7.38023; 12.875; 31.8273 90; 90; 90 | 3024.24 | Siva Reddy, Alla; Kumara Swamy, K. C. Use of Elemental Sulfur or Selenium in a Novel One-Pot Copper-Catalyzed Tandem Cyclization of Functionalized Ynamides Leading to Benzosultams. Organic letters, 2015, 17, 2996-2999 |
1520474 | CIF | C16 H16 Fe N2 | P b c a | 17.3279; 7.3648; 20.9885 90; 90; 90 | 2678.48 | Tizzard, Graham J.; Coles, Simon J.; Spencer, John Ferrocene complex C16H16FeN2 Crystal Structure Report Archive, 2010, 1277 |
1520492 | CIF | C13 H10 Cl N3 O2 | P b c a | 7.24; 11.439; 29.79 90; 90; 90 | 2467 | Xia, Guomin; Ruan, Chengyan; Wang, Hongming Highly sensitive detection of carbon dioxide by a pyrimido[1,2-a]benzimidazole derivative: combining experimental and theoretical studies. The Analyst, 2015, 140, 5099-5104 |
1520505 | CIF | C20 H16 I N O | P b c a | 7.2355; 20.9295; 23.0167 90; 90; 90 | 3485.5 | Wang, Jia; Zhu, Hai-Tao; Qiu, Yi-Feng; Niu, Yuan; Chen, Si; Li, Ying-Xiu; Liu, Xue-Yuan; Liang, Yong-Min Facile Synthesis of Carbazoles via a Tandem Iodocyclization with 1,2-Alkyl Migration and Aromatization. Organic letters, 2015, 17, 3186-3189 |
1520566 | CIF | C51 H55 F9 O16 S3 | P b c a | 20.6289; 22.2856; 24.1696 90; 90; 90 | 11111.4 | Han, Jie; Hou, Xisen; Ke, Chenfeng; Zhang, Huacheng; Strutt, Nathan L.; Stern, Charlotte L.; Stoddart, J. Fraser Activation-Enabled Syntheses of Functionalized Pillar[5]arene Derivatives. Organic letters, 2015, 17, 3260-3263 |
1520574 | CIF | C19 H17 N O | P b c a | 7.4565; 18.3137; 20.6855 90; 90; 90 | 2824.73 | Hardegger, Leo A.; Habegger, Jacqueline; Donohoe, Timothy J. Modular Synthesis of Highly Substituted Pyridines via Enolate α-Alkenylation. Organic letters, 2015, 17, 3222-3225 |
1520605 | CIF | C18 H32 Mo O6 | P b c a | 22.958; 16.139; 10.672 90; 90; 90 | 3954 | Lehtonen, Ari; Sillanpaa, Reijo Dioxomolybdenum(VI) Complexes of Chelating Alkoxides Acta Chemica Scandinavica, 1999, 53, 1078-1082 |
1520624 | CIF | C28 H64 F N O4 | P b c a | 18.6017; 18.6158; 19.1084 90; 90; 90 | 6616.96 | Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity Chem. Sci., 2015, 6, 5293 |
1520633 | CIF | C22 H21 Br N2 O3 S2 | P b c a | 11.7745; 15.3391; 24.3582 90; 90; 90 | 4399.34 | Choi, Wonseok; Kim, Jaeeun; Ryu, Taekyu; Kim, Ki-Bbeum; Lee, Phil Ho Synthesis of N-Imidoyl and N-Oxoimidoyl Sulfoximines from 1-Alkynes, N-Sulfonyl Azides, and Sulfoximines. Organic letters, 2015, 17, 3330-3333 |
1520660 | CIF | C16 H10 Cl2 I2 | P b c a | 9.0806; 15.5457; 23.2185 90; 90; 90 | 3277.6 | Sproul, Kyle C.; Chalifoux, Wesley A. Highly Regio- and Diastereoselective Formation of Tetrasubstituted (Z)-1,2-Dihaloalkenes from the Halogenation of Trimethylsilyl Alkynes with ICl. Organic letters, 2015, 17, 3334-3337 |
1520667 | CIF | C64 H142 Ge2 Si14 | P b c a | 21.4391; 21.7284; 36.5231 90; 90; 90 | 17013.8 | Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Sugamata, Koh; Guo, Jing-Dong; Nagase, Shigeru; Tokitoh, Norihiro Reaction of a diaryldigermyne with ethylene Chem. Sci., 2015, 6, 5526 |
1520685 | CIF | C21 H21 Cl O4 | P b c a | 15.5081; 11.7102; 20.245 90; 90; 90 | 3676.6 | Tanveer, Kashif; Jarrah, Kareem; Taylor, Mark S. Borinic Acid Catalyzed, Regioselective Chloroacylations and Chlorosulfonylations of 2,3-Epoxy Alcohols. Organic letters, 2015, 17, 3482-3485 |
1520696 | CIF | C41 H32 N2 O | P b c a | 9.7137; 21.2283; 30.357 90; 90; 90 | 6259.8 | Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C. RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes Chem. Sci., 2015, 6, 5802 |
1520726 | CIF | C44 H42 F6 N6 O7 S2 | P b c a | 21.512; 10.424; 40.881 90; 90; 90 | 9167 | Zhu, Chuan-Le; Yang, Li-Jun; Li, Shen; Zheng, Yan; Ma, Jun-An Brine-Stabilized 2,2,2-Trifluorodiazoethane and Its Application in the Synthesis of CF3-Substituted Cyclopropane α-Amino Acids. Organic letters, 2015, 17, 3442-3445 |
1520728 | CIF | C25 H34 N2 O9 Si | P b c a | 10.3059; 20.6482; 25.5756 90; 90; 90 | 5442.4 | Cheng, Qing-Qing; Qian, Yu; Zavalij, Peter Y.; Doyle, Michael P. Lewis Acid/Rhodium-Catalyzed Formal [3 + 3]-Cycloaddition of Enoldiazoacetates with Donor-Acceptor Cyclopropanes. Organic letters, 2015, 17, 3568-3571 |
1520929 | CIF | C7 H10 Cu N6 Ni | P b c a | 9.466; 12.268; 19.096 90; 90; 90 | 2217.6 | Cernak, J.; Lipkowski, J. Two polymorphs of Cu (tn) Ni (C N)4 containing tetracyanonickellate anions with triple bridging function: preparation and crystallographic characterization Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-), 1999, 130, 1195-1206 |
1521911 | CIF | Cu2 O7 P2 Tl | P b c a | 8.694; 9.248; 16.649 90; 90; 90 | 1338.61 | Schwunck, H.M.; Moser, P.; Jung, W. Tl Cu(I) Cu(II) P2 O7 mit Kupfer in gemischter Valenz - ein Zwischenprodukt bei der Oxidation einer Tl / Cu / P Legierung mit Sauerstoff Zeitschrift fuer Anorganische und Allgemeine Chemie, 1999, 625, 463-466 |
1522000 | CIF | C60 Sm2.75 | P b c a | 28.19699; 28.23499; 28.16089 90; 90; 90 | 22420.1 | Sun, Z.; Chen, X.H.; Takenobu, T.; Iwasa, Y. Structure and Raman behaviour of Sm2.75 C60 Journal of Physics: Condensed Matter, 2000, 12, 8919-8926 |
1522123 | CIF | Ga K O2 | P b c a | 5.51; 11.07; 15.81 90; 90; 90 | 964.342 | Vielhaber, E.; Hoppe, R. Oxogallate der Alkalimetalle Zeitschrift fuer Anorganische und Allgemeine Chemie, 1969, 369, 14-32 |
1523950 | CIF | H4 I2 Ni O8 | P b c a | 9.14986; 12.209; 6.58353 90; 90; 90 | 735.45 | Abrahams, S.C.; Verschoor, G.C.; Bernstein, J.L.; Elemans, J.B.A.A. Paramagnetic Ni (I O3)2 * 2(H2 O). Crystal structure of the transition-metal iodates. I Journal of Chemical Physics, 1973, 59, 2007-2018 |
1524479 | CIF | H12 N6 Na3 Yb | P b c a | 6.492; 12.24; 21.33 90; 90; 90 | 1694.93 | Hadenfeldt, C.; Jacobs, H. Darstellung, Eigenschaften und Kristallstruktur von Na3 Yb (N H2)6 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1972, 393, 111-125 |
1525567 | CIF | Cl H8 O7.5 | P b c a | 12.115; 19.708; 10.11 90; 90; 90 | 2413.89 | Almloef, J. Hydrogen Bond Studies. 72. The crystal structure of H Cl O4 (H2 O)3.5 Chemica Scripta, 1973, 3, 73-79 |
1525580 | CIF | Na O9 P3 Zn | P b c a | 14.259; 14.234; 14.238 90; 90; 90 | 2889.78 | Aouad, H.; Maazaz, M.; Belharouak, I. Crystal structure and luminescence properties of silver(I) doped polyphosphate Na Zn (P O3)3 Materials Research Bulletin, 2000, 35, 2457-2467 |
1525682 | CIF | O3 Rh2 | P b c a | 5.1477; 5.4425; 14.6977 90; 90; 90 | 411.776 | Biesterbos, J.W.M.; Hornstra, J. The Crystal Structure of the high-temperature low-pressure Form of Rh2 O3 Journal of the Less-Common Metals, 1973, 30, 121-125 |
1525973 | CIF | D4 I2 Ni O8 | P b c a | 9.158; 12.206; 6.584 90; 90; 90 | 735.976 | Elemans, J.B.A.A.; van Laar, B.; Loopstra, B.O. The crystallographic and magnetic structure of Ni (I O3)2 (H2 O)2 Physica (Utrecht) (18,1952-78,1974), 1972, 57, 215-220 |
1526014 | CIF | Cl6 N Nd3 | P b c a | 10.4971; 11.0683; 16.211 90; 90; 90 | 1883.48 | Meyer, M.; Lissner, F.; Schleid, T. Nd3 N Cl6 und Nd4 N S3 Cl3 : Zwei Neodymnitrid-Derivate mit discreten Einheiten Kantenverknuepfter ((N2 Nd6)(12+)) bzw. isolierter (N Nd4)(9+)-Tetraeder Zeitschrift fuer Anorganische und Allgemeine Chemie, 2000, 626, 1205-1210 |
1526044 | CIF | Ca2 O4 Ru | P b c a | 5.3945; 5.5999; 11.7653 90; 90; 90 | 355.414 | Friedt, O.; Nakatsuji, S.; Andre, G.; Adelmann, P.; Braden, M.; Maeno, Y. Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2001, 63, 1744321-17443210 |
1526045 | CIF | Ca1.9 O4 Ru Sr0.1 | P b c a | 5.4207; 5.4802; 11.9395 90; 90; 90 | 354.681 | Friedt, O.; Nakatsuji, S.; Andre, G.; Adelmann, P.; Braden, M.; Maeno, Y. Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2001, 63, 1744321-17443210 |
1526047 | CIF | Ca1.8 O4 Ru Sr0.2 | P b c a | 5.3304; 5.319; 12.4094 90; 90; 90 | 351.836 | Friedt, O.; Braden, M.; Andre, G.; Adelmann, P.; Nakatsuji, S.; Maeno, Y. Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2001, 63, 1744321-17443210 |
1526106 | CIF | As2 H5 O8 Rb | P b c a | 7.9403; 9.8218; 20.4244 90; 90; 90 | 1592.86 | Naili, H.; Mhiri, T. X-ray structural, vibrational and calorimetric studies of a new rubidium pentahydrogen arsenate Rb H5 (As O4)2 Journal of Alloys Compd., 2001, 315, 143-149 |
1526444 | CIF | Li2 Mn2 O12 S3 | P b c a | 8.686; 8.792; 24.146 90; 90; 90 | 1843.96 | Isasi, J.; Train, C.; Jaulmes, S.; Quarton, M.; Elfakir, A. Crystal structure and magnetic properties of Li2 Mn2 (S O4)3 Journal of Solid State Chemistry, 2001, 158, 148-153 |
1526641 | CIF | Al O4 P | P b c a | 18.02411; 13.91737; 9.65536 90; 90; 90 | 2422.03 | Kirchner, R.M.; Grosse-Kunstleve, R.W.; Pluth, J.J.; Smith, J.V.; Broach, R.W.; Wilson, S.T. The structures of as-synthesized Al P O4 - 53(A), calcined dehydrated Al P O4 - 53(B), and Al P O4 - 53(C), a new phase determined by the FOCUS method Microporous and Mesoporous Materials, 2000, 39, 319-332 |
1526660 | CIF | Al K O2 | P b c a | 5.4482; 10.916; 15.445 90; 90; 90 | 918.554 | Sokolowski, J.; Kotarba, A. The structure of potassium aluminium oxide K Al O2 Materials Science Forum, 2000, 321, 954-959 |
1526735 | CIF | Al0.196 Ca0.069 Fe0.409 Mg1.49 O6 Si1.85 | P b c a | 18.276; 8.819; 5.196 90; 90; 90 | 837.471 | Takeda, H. Crystallographic Studies of Coexisting Aluminan Orthopyroxene and Augite of High-Pressure Origin Journal of Geophysical Research, 1972, 77, 5798-5811 |
1527115 | CIF | Br6 Cr4 H46 N12 O8 | P b c a | 22.581; 13.931; 10.001 90; 90; 90 | 3146.07 | Bang, E.; Narasimha, T. The crystal structure of di-mue-hydroxotetrakis-mue-hydroxobis(tetraminechromium III))bis(diamminechromium(III))bromide dihydrate Acta Chemica Scandinavica (1-27,1973-42,1988), 1970, 24, 275-284 |
1527189 | CIF | I4 Pt | P b c a | 12.9; 15.64; 6.9 90; 90; 90 | 1392.12 | Brodersen, K.; Thiele, G.; Holle, B. Zur Kenntnis des Platin(IV)-jodids Zeitschrift fuer Anorganische und Allgemeine Chemie, 1969, 369, 154-160 |
1527203 | CIF | Co Na5 O4 | P b c a | 10.36; 5.99; 18.04999 90; 90; 90 | 1120.12 | Burow, W.; Hoppe, R. Das erste Oxocobaltat(III) mit Inselstruktur: Na5 (Co O4) Naturwissenschaften, 1980, 67, 192-192 |
1527297 | CIF | H8 N2 S7 Sb4 | P b c a | 11.33; 26.252; 9.94 90; 90; 90 | 2956.5 | Dittmar, G.; Schaefer, H. Darstellung und Kristallstruktur von (N H4)2 Sb4 S7 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1977, 437, 183-187 |
1527333 | CIF | As Na Se2 | P b c a | 5.83; 24.27; 11.82 90; 90; 90 | 1672.46 | Eisenmann, B.; Schaefer, H. Ueber Seleno- und Telluroarsenite, -antimonite und -bismutite Zeitschrift fuer Anorganische und Allgemeine Chemie, 1979, 456, 87-94 |
1527607 | CIF | C Cu N S | P b c a | 10.994; 7.224; 6.662 90; 90; 90 | 529.1 | Kabesova, M.; Dunaj-Jurco, M.; Serator, M.; Gazo, J. Crystal structure of copper(I) thiocyanate and its relation to the crystal structure of copper(II) diammine dithiocyanate complex Inorganica Chimica Acta, 1976, 17, 161-165 |
1527685 | CIF | O7 Tc2 | P b c a | 13.756; 7.439; 5.617 90; 90; 90 | 574.793 | Krebs, B. Technetium(VII)-oxid: Ein Uebergangsmetalloxid mit Molekuelstruktur im festen Zustand Zeitschrift fuer Anorganische und Allgemeine Chemie, 1971, 380, 146-159 |
1527716 | CIF | F5 H12 Mo N3 O3 | P b c a | 16.521; 15.956; 6.793 90; 90; 90 | 1790.7 | Larking, I.; Stomberg, G. Studies on peroxomolybdates VII. The crystal structure of triammonium fluoride oxoperoxotetrafluoromolybdate(VI), (N H4)3 F Mo O O2 F4 Acta Chemica Scandinavica (1-27,1973-42,1988), 1970, 24, 2043-2054 |
1527738 | CIF | Cr3 O10 Rb2 | P b c a | 19.04; 11.52; 9.36 90; 90; 90 | 2053.03 | Loefgren, P. On the crystal structures of Rb2 Cr3 O10 and Rb2 Cr4 O13 Acta Chemica Scandinavica (1-27,1973-42,1988), 1971, 25, 3893-3895 |
1527770 | CIF | K4 O3 Pb | P b c a | 6.543; 11.405; 18.709 90; 90; 90 | 1396.12 | Martens, K.P.; Hoppe, R. Das erste Oxoplumbat(II) mit Inselstruktur: K4 Pb O3 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1978, 438, 105-114 |
1528142 | CIF | Cd O6 P2 | P b c a | 9.607; 13.7; 7.037 90; 90; 90 | 926.181 | Tordjman, I.; Beucher, M.; Guitel, J.C.; Bassi, G. Structure cristalline du polyphosphate de cadmium Cd (P O3)2 Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977), 1968, 91, 344-349 |
1528250 | CIF | Na5 Ni O4 | P b c a | 10.22; 5.94; 17.98 90; 90; 90 | 1091.51 | Zentgraf, H.; Hoppe, R. Na5 Ni O4, das erste Oxoniccolat(III) mit Inselstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie, 1980, 462, 61-70 |
1528514 | CIF | Fe0.15 Mg1.82 O6 Si2 | P b c a | 18.4588; 8.9638; 5.2848 90; 90; 90 | 874.428 | Gatta, G.D.; Rinaldi, R.; Knight, K.S.; Molin, G.; Artioli, G. High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in-situ neutron powder diffraction study Physics and Chemistry of Minerals (Germany), 2007, 34, 185-200 |
1528556 | CIF | O3 Te Zn | P b c a | 7.36; 6.38; 12.32 90; 90; 90 | 578.508 | Hanke, K. Zinktellurit: Kristallstruktur und Beziehungen zu einigen Seleniten Naturwissenschaften, 1967, 54, 199-199 |
1528796 | CIF | Bi2 Mo O6 | P b c a | 5.506; 16.226; 5.487 90; 90; 90 | 490.211 | Pertlik, F.; Zemann, J. Neubestimmung der Kristallstruktur des Koechlinits Fortschritte der Mineralogie, Beiheft, 1982, 60, 162-163 |
1528895 | CIF | Ga Li5 O4 | P b c a | 9.173; 9.094; 9.202 90; 90; 90 | 767.624 | Stewner, F.; Hoppe, R. Ueber 'Kationen-reiche' Oxide. Zur Kenntnis von Li5 Ga O4 und Li5 Al O4 Naturwissenschaften, 1968, 55, 297-297 |
1528941 | CIF | C60 Cl6 | P b c a | 17.1965; 39.918; 19.5617 90; 90; 90 | 13428.1 | Troyanov, S.I.; Burtsev, A.V.; Kemnitz, E. Synthesis and structure of fullerene halides in the C60-(Ti Cl4 + Br2) system: molecular structures of (C60 Cl5)2, C60 X6, C60 X8, and C60 X24 (X = Cl, Br) Kristallografiya, 2009, 54, 268-275 |
1528942 | CIF | C60 Br0.85 Cl5.15 | P b c a | 17.226; 40.0522; 19.6088 90; 90; 90 | 13528.9 | Troyanov, S.I.; Burtsev, A.V.; Kemnitz, E. Synthesis and structure of fullerene halides in the C60-(Ti Cl4 + Br2) system: molecular structures of (C60 Cl5)2, C60 X6, C60 X8, and C60 X24 (X = Cl, Br) Kristallografiya, 2009, 54, 268-275 |
1528957 | CIF | C10.878 H29.634 Ga I1.122 Si3 | P b c a | 13.4043; 11.6463; 24.321 90; 90; 90 | 3796.76 | Viefhaus, T.; Schwarz, W.; Locke, K.; Huebler, K.; Weidlein, J. Das unterschiedliche Reaktionsverhalten von basefreiem Tris(trimethylsilyl)methyl-Lithium gegenueber den Trihalogeniden der Erdmetalle und des Eisens Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 715-725 |
1529092 | CIF | C47 H44.5 B Cu F4 N5.5 O11 | P b c a | 9.459; 29.785; 34.465 90; 90; 90 | 9710 | Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J. Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies Chem. Sci., 2015, 6, 5779 |
1529189 | CIF | O42 W12 | P b c a | 19.29; 24.46; 11.02 90; 90; 90 | 5199.6 | Weiss, G. Die Struktur des Parawoframations am Beispiel des Ammoniumparawolframates (N H4)10 (H2 W12 O42) (H2 O)10 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1969, 368, 279-283 |
1529263 | CIF | C23 H25 N O2 | P b c a | 7.5352; 16.1007; 30.3669 90; 90; 90 | 3684.2 | Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy Cooperative benzylic‒oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds Chem. Sci., 2015, 6, 6312 |
1529355 | CIF | C14 H16 O4 Te | P b c a | 15.7046; 8.83038; 19.1603 90; 90; 90 | 2657.1 | Prasad, Poonam Rajesh; Singh, Harkesh B.; Butcher, Ray J. Synthesis, Structure and Antioxidant Activity of Cyclohexene-Fused Selenuranes and Related Derivatives. Molecules (Basel, Switzerland), 2015, 20, 12670-12685 |
1529386 | CIF HKL | C2 H5 N5 O4 | P b c a | 11.116; 18.075; 6.559 90; 90; 90 | 1317.8 | A.D. Vasiliev; A.M. Astakhov; M.S. Molokeev; L.A. Kruglyakova; R.S. Stepanov Crystal and molecular structure of 1-methyl-1,2-dinitroguanidine Journal of Structural Chemistry, 2004, 45, 532-536 |
1529458 | CIF | C29 H32 O5 | P b c a | 24.274; 16.262; 12.626 90; 90; 90 | 4984 | Rouger, Caroline; Derbré, Séverine; Charreau, Béatrice; Pabois, Angélique; Cauchy, Thomas; Litaudon, Marc; Awang, Khalijah; Richomme, Pascal Lepidotol A from Mesua lepidota Inhibits Inflammatory and Immune Mediators in Human Endothelial Cells. Journal of natural products, 2015, 78, 2187-2197 |
1529863 | CIF | C25 H26 O2 | P b c a | 12.3364; 8.7782; 36.9717 90; 90; 90 | 4003.7 | Ackrill, Thomas D.; Sparkes, Hazel A.; Willis, Christine L. Synthesis of Diarylheptanoid Scaffolds Inspired by Calyxins I and J. Organic letters, 2015, 17, 3884-3887 |
1530098 | CIF | I K4 Li O6 | P b c a | 13.122; 9.982; 11.189 90; 90; 90 | 1465.58 | Hoppe, R.; Schneider, J. Eine "misslungene" Synthese: ueber K2 Li (I O6) und K5 I2 (Au O2) Journal of the Less-Common Metals, 1988, 137, 85-103 |
1530143 | CIF | Cl5 Pd Tl3 | P b c a | 7.475; 16.24; 16.666 90; 90; 90 | 2023.15 | Keller, H.L.; Schroeder, L. Darstellung und Kristallstruktur von Tl3 Pd Cl5 Journal of the Less-Common Metals, 1987, 132, 287-296 |
1530153 | CIF | O2.2 Ta2 | P b c a | 5.1; 5.1; 5.1 90; 90; 90 | 132.651 | Khitrova, V.I.; Klechkovskaya, V.V.; Pinsker, Z.G. Structures with fcc cells in thin films of oxides of Ta and Nb Kristallografiya, 1979, 24, 1254-1258 |
1530246 | CIF | Ca0.46 Cl2 Sr0.54 | P b c a | 13.421; 7.053; 6.817 90; 90; 90 | 645.286 | Lasocha, W.; Eick, H.A. The Structure of Ca0.3 Sr0.7 Cl2 and Ca0.46 Sr0.54 Cl2 by the X-Ray Rietveld Refinement Procedure Journal of Solid State Chemistry, 1988, 75, 175-182 |
1530477 | CIF | H2 K2 N4 O10 Pb | P b c a | 6.766; 11.999; 26.61 90; 90; 90 | 2160.34 | Nardelli, M.; Pelizzi, G. Crystal structure of K2 Pb (N O2)3 (N O3) (H2 O) Inorganica Chimica Acta, 1980, 38, 15-19 |
1530734 | CIF | Al Cl3 H3 N | P b c a | 9.895; 10.148; 11.544 90; 90; 90 | 1159.19 | Semenenko, K.N.; Lobkovskii, E.B.; Kravchenko, O.V.; Polyakova, V.B.; Korobov, I.I. Structure and vibrational spectra of aluminium chloride monoammoniate Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1978, 4, 1649-1652 |
1530860 | CIF | Ba H8 Mo4 O26 U3 | P b c a | 17.797; 11.975; 23.33 90; 90; 90 | 4972.07 | Tabachenko, V.V.; Balashov, V.L.; Kovba, L.M.; Serezhkin, V.N. Crystal Structure of Barium Uranyl Molybdate Ba (U O2)3 (Mo O4)4 (H2 O)4 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1984, 10, 854-857 |
1530885 | CIF | Fe K O2 | P b c a | 5.577; 11.227; 15.89 90; 90; 90 | 994.92 | Tomkowicz, Z.; Szytula, A. Crystal and magnetic structure of K Fe O2 Journal of Physics and Chemistry of Solids, 1977, 38, 1117-1123 |
1530925 | CIF | F3 H8 N2 O4 S Sb | P b c a | 10.85; 10.875; 13.521 90; 90; 90 | 1595.39 | Udovenko, A.A.; Davidovich, R.L.; Volkova, L.M.; Zemnukhova, L.A. Crystal structure of ammonium sulfatotrifluoroantimonate(III) (N H4)2 Sb F3 S O4 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 749-751 |
1531142 | CIF | As H4 In O6 | P b c a | 9.09; 10.344; 10.468 90; 90; 90 | 984.274 | Chen Zhenxia; Zhao, D.-Y.; Weng, L.-H.; Zhou, Y.-M.; Zhang, H.-Y. Synthesis and structure of a new three-dimensional microporous indium arsenate Hua Hsueh Hsueh Pao, 2002, 60, 305-309 |
1531277 | CIF | Bi Er Ge O5 | P b c a | 5.314; 15.176; 10.999 90; 90; 90 | 887.017 | Cascales, C.; Zaldo, C. Crystal-field analysis of Eu(3+) energy levels in the new rare-earth R Bi Y1-x Rx Ge O5 oxide Journal of Solid State Chemistry, 2003, 171, 262-267 |
1531606 | CIF | Al Br3 H3 N | P b c a | 11.529; 12.188; 19.701 90; 90; 90 | 2768.29 | Jacobs, H.; Schroeder, F.O. Monoammoniates of aluminium halides: the crystal structures of (Al Br3) * (N H3) and (Al I3) * (N H3) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 327-329 |
1531607 | CIF | Al H3 I3 N | P b c a | 13.536; 8.759; 14.348 90; 90; 90 | 1701.12 | Jacobs, H.; Schroeder, F.O. Monoammoniates of aluminium halides: the crystal structures of (Al Br3) * (N H3) and (Al I3) * (N H3) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 327-329 |
1531703 | CIF | C6 H28 Co2 Ge9 N6 O22 | P b c a | 14.039; 12.987; 14.705 90; 90; 90 | 2681.08 | Julius, N.N.; Choudhury, A.; Rao, C.N.R. An organically templated open-framework cobalt germanate Journal of Solid State Chemistry, 2003, 170, 124-129 |
1531780 | CIF | Fe2 K2 O4 | P b c a | 5.5918; 11.221; 15.928 90; 90; 90 | 999.412 | Moeller, A. Das gemischtvalente ternaere Oxoferrat(II,III) K3 (Fe2 O4) - eine aufgefuellte Variante des K2 (Fe2 O4) - Typs Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 2537-2541 |
1531924 | CIF | H13 N5 O10 Re2 Ru | P b c a | 14.424; 12.044; 15.04 90; 90; 90 | 2612.79 | Minacheva, L.Kh.; Kokunova, V.N.; Sergienko, V.S.; Kokunov, Yu.V. Crystal structure of hydroxonitrosotetraammineruthenium(IV) perrhenate (Ru (N O) (O H) (N H3)4) (Re O4)2 Zhurnal Neorganicheskoi Khimii, 2001, 46, 1293-1296 |
1532133 | CIF | H3 Na O2 | P b c a | 11.96; 6.221; 6.134 90; 90; 90 | 456.389 | Rustad, J.R.; Bylaska, E.J.; Rosso, K.M.; Felmy, A.R. Ab initio investigation of the structures of Na O H hydrates and their Na(+) and (O H)(-) coordination polyhedra American Mineralogist, 2003, 88, 436-449 |
1532495 | CIF | C33 H52 I P2 Pd | P b c a | 14.978; 16.438; 29.361 90; 90; 90 | 7229 | Cui, Peng; Iluc, Vlad M. Redox-induced umpolung of transition metal carbenes Chem. Sci., 2015, 6, 7343 |
1532509 | CIF | C12 H6 S6 Se2 | P b c a | 16.5074; 8.21747; 23.5969 90; 90; 90 | 3200.9 | Debnath, Sashi; Bedi, Anjan; Zade, Sanjio S. Thienopentathiepine: a sulfur containing fused heterocycle for conjugated systems and their electrochemical polymerization Polym. Chem., 2015, 6, 7658 |
1533070 | CIF | Al O4 P | P b c a | 14.0343; 15.1794; 17.4024 90; 90; 90 | 3707.27 | Roux, M.; Marichal, C.; le Meins, J.M.; Chezeau, J.M.; Baerlocher, C. Solid state NMR and X-ray diffraction study of three forms of the aluminophosphate Al P O4 - ZON Microporous and Mesoporous Materials, 2003, 63, 163-176 |
1533713 | CIF | Bi0.693 Ca3.093 Mn3 O10 | P b c a | 5.3398; 5.3419; 26.8336 90; 90; 90 | 765.42 | Sousa, P.M.; Carvalho, M.D.; Melo Jorge, M.E.; Cruz, M.M.; Costa, F.M.; Godinho, M. Bismuth for calcium substitution in Ca4 Mn3 O10: preparation and study Solid State Sciences, 2003, 5, 943-949 |
1534126 | CIF | C16 H13 N O3 | P b c a | 7.2317; 11.2958; 32.232 90; 90; 90 | 2633 | Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols Chem. Sci., 2016, 7, 358 |
1534158 | CIF | Hg O6 V2 | P b c a | 14.43; 5.984; 4.925 90; 90; 90 | 425.269 | Angenault, J.; Rimsky, A. Structure cristalline de la phase Hg V2 O6 obtenue a haute temperature Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-), 1968, 266, 978-980 |
1534244 | CIF | Cl2 Yb | P b c a | 13.18; 6.96; 6.7 90; 90; 90 | 614.61 | Beck, H.P.; Baernighausen, H. Zur Kristallchemie der Ytterbium(II)-Halogenide Yb Cl2 und Yb Br2 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1971, 386, 221-228 |
1534306 | CIF | Fe Na5 O4 | P b c a | 10.334; 5.974; 18.08199 90; 90; 90 | 1116.3 | Brachtel, G.; Hoppe, R. Zur Kenntnis von Na5 Fe O4 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1978, 446, 77-86 |
1534308 | CIF | Cl14 O2 P2 Ti2 | P b c a | 12.42; 12.76; 13.51 90; 90; 90 | 2141.05 | Branden, C.I.; Lindqvist, I. The Crystal Structure of ((Ti Cl4) (P O Cl))2 Acta Chemica Scandinavica (1-27,1973-42,1988), 1960, 14, 726-732 |
1534357 | CIF | O7 P2 Zr | P b c a | 8.245; 8.245; 8.245 90; 90; 90 | 560.495 | Chaunac, M. Etude cristallographique du pyrophosphate de zirconium Bulletin de la Societe Chimique de France (Vol=Year), 1971, 1971, 424-429 |
1534400 | CIF | C64 H62 N6 O2 S4 | P b c a | 18.22; 12.964; 24.265 90; 90; 90 | 5731 | Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke 2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior Chem. Sci., 2016, 7, 451 |
1534628 | CIF | B F3 H3 N | P b c a | 8.0726; 8.0048; 9.2431 90; 90; 90 | 597.285 | Goebbels, D.; Meyer, G. Aufbau und Abbau von (N H4) (B F4) und (H3 N)-(B F3) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1799-1805 |
1534633 | CIF | B F4 H Hg2 O | P b c a | 9.8504; 9.9096; 11.41 90; 90; 90 | 1113.77 | Goebbels, D.; Meyer, G. Hg2 (O H) (B F4), the first basic mercurous tetrafluoroborate Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 933-935 |
1534640 | CIF | Gd H O8 Se2 | P b c a | 9.2037; 13.516; 10.0404 90; 90; 90 | 1249 | Goehausen, I.; Wickleder, M.S. Hydrogenselenate der Selten-Erd-Elemente: Synthese und Kristallstruktur von La (H Se O4)3 und Gd (H Se O4) (Se O4) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 1115-1117 |
1534642 | CIF | Al H3 O3 | P b c a | 8.6857; 5.0521; 9.4954 90; 90; 90 | 416.668 | Liu, H.; Tse, J.S.; Hu, J.; Liu, Z.; Wang, L.; Weidner, D.J.; Chen, J.; Meng, Y.; Mao, H.-K.; Haeusermann, D. Structural Refinement of the High-Pressure Phase of Aluminium Trihydroxide: In-Situ High-Pressure Angle Dispersive Synchrotron X-ray Diffraction and Theoretical Studies J. Phys. Chem. B, 2005, 109, 8857-8860 |
1534721 | CIF | Co H26 N6 Np O17 S3 | P b c a | 19.437; 14.595; 12.744 90; 90; 90 | 3615.26 | Grigor'ev, M.S.; Fedoseev, A.M.; Budantseva, N.A.; Struchkov, Yu.T.; Yanovskii, A.I.; Krot, N.N. Synthesis, crystal and molecular structure of complex neptunium(V) sulfates (Co(NH3)6)(NpO2(SO4)2)*2H2O and (Co(NH3)6)H8O3(NpO2(SO4)3) Radiokhimiya, 1991, 33, 54-60 |
1534782 | CIF | Mo N4 Sr3 | P b c a | 10.4385; 9.7374; 11.51111 90; 90; 90 | 1170.03 | Bailey, M.S.; McGuire, M.A.; DiSalvo, F.J. Sr10 (Mo2 N6)(Mo N4)2 and beta-Sr3 Mo N4 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 2177-2185 |
1534873 | CIF | I3 K O11 U | P b c a | 11.495; 7.2293; 25.394 90; 90; 90 | 2110.26 | Shvareva, T.Y.; Almond, P.M.; Albrecht-Schmitt, T.E. Crystal chemistry and ion-exchange properties of the layered uranyl iodate K [U O2 (I O3)3] Journal of Solid State Chemistry, 2005, 178, 499-504 |
1534884 | CIF | K Se | P b c a | 10.06; 19.45; 8.7 90; 90; 90 | 1702.3 | Madar, J. A contribution to the crystal structure of K H Se O4 Czechoslovak Journal of Physics, 1960, 10, 259-259 |
1534905 | CIF | H4 Li Mo Na O6 | P b c a | 8.219; 10.372; 13.277 90; 90; 90 | 1131.83 | Makitova, D.D.; Tkachev, V.V.; Atovmyan, L.O. Crystal structure of dihydrate lithium-sodium molybdate LiNaMoO4*2H2O Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1990, 16, 616-618 |
1534995 | CIF | C Cl8 W2 | P b c a | 11.956; 12.156; 15.837 90; 90; 90 | 2301.7 | Beck, J.; Wolf, F. W2 Cl7 (C Cl), a polymeric tungsten chlorocarbyne complex Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1453-1454 |
1535168 | CIF | As3 La Si | P b c a | 6.084; 5.986; 26.235 90; 90; 90 | 955.448 | Hayakawa, H.; Ono, S.; Suzuki, A. The crystal structure of lanthanum silicon triarsenide (La Si As3) Nippon Kagaku Kaishi (= J.Chem.Soc.Japan) (1947-), 1984, 1984, 697-701 |
1535419 | CIF | Cr2 Li4 N6 Sr2 | P b c a | 9.14; 7.3541; 10.5355 90; 90; 90 | 708.159 | Hochrein, O.; Kniep, R.; Kohout, M.; Schnelle, W. Li4 Sr2 (Cr2 N6): ein Hexanitridodichromat(V) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 2738-2743 |
1535458 | CIF | Br0.3 I1.7 Sr | P b c a | 15.15; 8.14; 7.805 90; 90; 90 | 962.52 | Hodorowicz, S.A.; Eick, H.A. An X-ray diffraction study of the Sr Brx I2-x system Journal of Solid State Chemistry, 1983, 46, 313-320 |
1535462 | CIF | Br0.2 I1.8 Sr | P b c a | 15.189; 8.174; 7.84 90; 90; 90 | 973.374 | Hodorowicz, S.A.; Eick, H.A. An X-ray diffraction study of the Sr Brx I2-x system Journal of Solid State Chemistry, 1983, 46, 313-320 |
1535466 | CIF | I2 Sr | P b c a | 15.268; 8.251; 7.896 90; 90; 90 | 994.709 | Hodorowicz, S.A.; Eick, H.A. An X-ray diffraction study of the Sr Brx I2-x system Journal of Solid State Chemistry, 1983, 46, 313-320 |
1535504 | CIF | F12 H4 K2 O2 Rb2 Zr2 | P b c a | 13.886; 11.666; 8.907 90; 90; 90 | 1442.88 | Tkachev, V.V.; Davidovich, R.L.; Atovmyan, L.O.; Logvinova, V.B. Crystal structure of potassium rubidium hexafluorozirconate dihydrate Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1993, 19, 698-700 |
1535510 | CIF | Ba O15 V10 | P b c a | 11.6155; 9.8735; 9.4178 90; 90; 90 | 1080.09 | Bridges, C.A.; Greedan, J.E. Phase transitions and electrical transport in the mixed-valence V(2+)/V(3+) oxide Ba V10 O15 Journal of Solid State Chemistry, 2004, 177, 1098-1110 |
1535610 | CIF | Cs F H3 O4 P | P b c a | 7.859; 9.515; 14.744 90; 90; 90 | 1102.53 | Troyanov, S.I.; Snigireva, E.M.; Feist, M.; Kemnitz, E. Kristallstruktur und thermisches Verhalten von Metalldihydrogenphosphat-H F-Addukten M H2 P O4 * H F (M= K, Rb, Cs) mit Wasserstoffbindungen vom Typ F-H...O Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 1687-1692 |
1535793 | CIF | Ni5 P3 Si2 | P b c a | 4.932; 34.14; 5.941 90; 90; 90 | 1000.34 | Il'nitskaya, O.N.; Grin', Yu.; Kuz'ma, Yu.B. Crystal chemical studies of inhomogeneous linear structures. IX.A series of inhomogeneous linear structure of M2m+2n X2m+2n and its new member Ni5 Si2 P3. Kristallografiya, 1992, 37, 146-150 |
1535878 | CIF | Ce O8 Se2 | P b c a | 9.748; 9.174; 13.74 90; 90; 90 | 1228.74 | Iskhakova, L.D.; Kozlova, N.P.; Marugin, V.V. Crystal structure of Ce (Se O4)2 Kristallografiya, 1990, 35, 1089-1093 |
1535900 | CIF | Eu H O8 Se2 | P b c a | 9.232; 13.514; 10.061 90; 90; 90 | 1255.22 | Iskhakova, L.D.; Ovanisyan, S.M.; Trunov, V.K. Crystal structure of EuH(SeO4)2 Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1991, 32, 30-33 |
1536020 | CIF | F10 H4 Hf2 K4 O4 | P b c a | 13.905; 11.497; 8.697 90; 90; 90 | 1390.35 | Chernyshev, B.N.; Gerasimenko, A.V.; Didenko, N.A.; Bukvetskii, B.V.; Bakeeva, N.G. Synthesis and structure of dimeasured peroxofluorohafnates K4 Hf2 F10 O2. Zhurnal Neorganicheskoi Khimii, 1991, 36, 1112-1116 |
1536147 | CIF | P2 S6 Tl4 | P b c a | 16.366; 13.321; 11.41 90; 90; 90 | 2487.51 | Voroshilov, Yu.V.; Gebesh, V.Yu.; Potorii, M.V. A study of Tl-P-S system Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1994, 30, 479-483 |
1536189 | CIF | H2 K2 O12 Si4 V | P b c a | 10.258; 8.26; 12.981 90; 90; 90 | 1099.89 | Wang, X.-Q.; Liu, L.-M.; Jacobson, A.J. The novel open-framework vanadium silicates K2 (V O) (Si4 O10) * (H2 O) (VSH-1) and Cs2 (VO) (Si6 O14) * 3(H2 O) (VSH-2) Angew. Chem. Int. ed., 2001, 40, 2174-2176 |
1536208 | CIF | Pt Sb Si | P b c a | 6.3128; 6.3347; 11.3945 90; 90; 90 | 455.663 | Wang, M.; Morgan, M.G.; Mar, A. Platinum silicon antimonide (Pt Si Sb) Journal of Solid State Chemistry, 2003, 175, 231-236 |
1536340 | CIF | Ca4 O14 Te5 | P b c a | 10.9536; 16.556; 15.779 90; 90; 90 | 2861.49 | Weil, M. New phases in the systems Ca - Te - O and Cd - Te - O : the calcium tellurite(IV) Ca4 Te5 O14 and the cadmium compounds Cd2 Te3 O9 and Cd2 Te2 O7 with mixed-valent oxotellurium(IV/VI) anions Solid State Sciences, 2004, 6, 29-37 |
1536457 | CIF | Eu7 Ga6 Sb8 | P b c a | 15.647; 17.2876; 17.92 90; 90; 90 | 4847.34 | Park, S.-M.; Kim, S.-J.; Kanatzidis, M.G. Eu7 Ga6 Sb8: A Zintl phase with Ga-Ga bonds and polymeric gallium antimonide chains Journal of Solid State Chemistry, 2004, 177, 2867-2874 |
1536663 | CIF | Cl2 H6 N2 Pd | P b c a | 8.1513; 8.1513; 7.7971 90; 90; 90 | 518.068 | Kirik, S.D.; Krapivko, A.A.; Kruglik, A.I.; Yakimov, I.S. Determination of the crystal structure of beta-trans-Pd (N H3)2 Cl2 by the full-profile analysis technique. Kristallografiya, 1991, 36, 1563-1566 |
1536673 | CIF | Re2 Te5 | P b c a | 13.003; 12.935; 14.212 90; 90; 90 | 2390.37 | Klaiber, F.; Petter, W.; Hulliger, F. The structure type of Re2 Te5, a new (M6 X14) cluster compound Journal of Solid State Chemistry, 1983, 46, 112-120 |
1536699 | CIF | Na3 O2 P S2 | P b c a | 17.53589; 11.30444; 5.86555 90; 90; 90 | 1162.75 | Pompetzki, M.; Dinnebier, R.E.; Jansen, M. Sodium dithiophosphate(V): crystal structure, sodium ionic conductivity and dismutation Solid State Sciences, 2003, 5, 1439-1444 |
1536875 | CIF | C66 H90 N2 O8 Zn2 | P b c a | 10.881; 19.554; 29.442 90; 90; 90 | 6264.3 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
1536877 | CIF | C32 H46 N2 O4 Zn | P b c a | 12.2437; 18.3841; 30.3846 90; 90; 90 | 6839.3 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
1536889 | CIF | H5 La O10 Se3 | P b c a | 7.329; 11.013; 22.802 90; 90; 90 | 1840.45 | Feng, M.-L.; Mao, J.-G. Synthesis, crystal structure and characterization of a new layered lanthanum(III) diselenite hydrogenselenite: La (Se2 O5) (H Se O3) . H2 O Journal of Alloys Compd., 2005, 391, 33-37 |
1536935 | CIF | Ga Na5 O4 | P b c a | 10.263; 5.95; 18.064 90; 90; 90 | 1103.07 | Fink, D.; Hoppe, R. Ein neues Oxogallat Na5 Ga O4 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1975, 414, 193-288 |
1537019 | CIF | Al32 H123.68 O189.84 P32 | P b c a | 14.49297; 14.87313; 17.57384 90; 90; 90 | 3788.14 | Fjellvag, H.; Akporiaye, D.E.; Halvorsen, E.N.; Karlsson, A.; Lillerud, K.P.; Kongshaug, K.O. Crystal structure and MAS-NMR study of rehydrated UiO-7 Solid State Sciences, 2001, 3, 603-611 |
1537047 | CIF | In22 Li4 O33 S42 | P b c a | 28.172; 29.183; 40.094 90; 90; 90 | 32963 | Zheng Nanfeng; Feng Pingyun; Bu Xianhui Pentasupertetrahedral clusters as buildung blocks for a three-dimensional sulfide superlattice Angewandte Chemie (Edition international), 2004, 43, 4753-4755 |
1537221 | CIF | Bi O6 P0.16 Pb2 V0.84 | P b c a | 5.922; 18.396; 11.864 90; 90; 90 | 1292.48 | Labidi, O.; Conflant, P.; Roussel, P.; Drache, M.; Huve, M.; Wignacourt, J.P. Stabilization of a new delta' polymorph in P-substituted Pb2 Bi V O6: Single crystal structure of Pb2 Bi (V0.84 P0.16) O6 and conduction properties of related materials Journal of Solid State Chemistry, 2005, 178, 2247-2255 |
1537228 | CIF | Al0.06 Fe0.096 Mg0.854 O3 Si0.97 | P b c a | 18.2248; 8.7822; 5.1927 90; 90; 90 | 831.112 | Ganguly, J.; Ghose, S. Aluminous orthopyroxene: Order-disorder, thermodynamic properties, and petrologic implications Contributions to Mineralogy and Petrology (23,1969-), 1979, 69, 375-385 |
1537231 | CIF | Al0.088 Mg0.956 O3 Si0.956 | P b c a | 18.1991; 8.78; 5.1666 90; 90; 90 | 825.561 | Ganguly, J.; Ghose, S. Aluminous orthopyroxene: Order-disorder, thermodynamic properties, and petrologic implications Contributions to Mineralogy and Petrology (23,1969-), 1979, 69, 375-385 |
1537406 | CIF | Ge Mn O3 | P b c a | 5.437; 19.245; 9.228 90; 90; 90 | 965.572 | Herpin, P.; Whuler, A.; Boucher, B.; Sougi, M. Etude cristallographique et magnetique de Mn Ge O3 Physica Status Solidi, Sectio B: Basic Research, 1971, 44, 71-84 |
1537552 | CIF | Mo2 O8 U | P b c a | 10.1909; 9.5857; 14.2741 90; 90; 90 | 1394.39 | Krivovichev, S.V.; Berns, P.C. Gamma-U Mo2 O8 - a new polymorph of uranium(IV) dimolybdate Doklady Akad. Nauk, 2004, 394, 761-762 |
1537574 | CIF | Ni P | P b c a | 6.05; 4.881; 6.89 90; 90; 90 | 203.462 | Larsson, E. An X-ray investigation of the Ni-P system and the crystal structures of Ni P and Ni P2 Arkiv foer Kemi, 1965, 23, 335-365 |
1537585 | CIF | Mg O3 Si | P b c a | 18.211; 8.81; 5.203 90; 90; 90 | 834.764 | Lindemann, W. Beitrag zur Enstatitstruktur (Verfeinerung der Parameterwerte ) Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-), 1961, 1961, 226-233 |
1537588 | CIF | C2 N2 Se | P b c a | 8.71; 6.98; 13.41 90; 90; 90 | 815.272 | Linke, K.H.; Lemmer, F. Roentgenographische Kristallstrukturanalyse von Selenidcyanid Zeitschrift fuer Anorganische und Allgemeine Chemie, 1966, 345, 211-216 |
1537589 | CIF | C2 N2 S | P b c a | 8.6; 6.85; 12.8 90; 90; 90 | 754.048 | Linke, K.H.; Lemmer, F. Roentgenographische Cristallstrukturanalyse von Schwefeldicyanid Zeitschrift fuer Anorganische und Allgemeine Chemie, 1966, 345, 203-210 |
1537988 | CIF | Re2 Te5 | P b c a | 13.034; 12.958; 14.24 90; 90; 90 | 2405.06 | Fedorov, V.E.; Mischenko, A.V.; Podberezskaya, N.V. A physico-chemical characterization of the cluster-type rhenium telluride Re6 Te15 Materials Research Bulletin, 1986, 21, 1335-1342 |
1539273 | CIF | Pd Se2 | P b c a | 5.72; 5.8; 7.67 90; 90; 90 | 254.46 | Schubert, K.; Vetter, H.; Breimer, H.; Gunzel, E.; Burkhardt, W.; Wilkens, M.; Haufler, R.; Lukas, H.L.; Wegst, J. Einige strukturelle Ergebnisse an metallischen Phasen. II Naturwissenschaften, 1957, 44, 229-230 |
1539286 | CIF | As5 Pb S9 Tl | P b c a | 10.86; 35.45; 8.16 90; 90; 90 | 3141.49 | Takeuchi, Y.; Nowacki, W.; Ghose, S. The crystal structure of the thallium-lead sulfosalt hutchinsonite Chimia, 1964, 18, 215-217 |
1539341 | CIF | Cs4 H4 O2 S12 Sn5 | P b c a | 13.11; 16.239; 14.232 90; 90; 90 | 3029.9 | Sheldrick, W.S. Zur Kenntnis von Cs4 Sn5 S12 (H2 O)2, ein Caesium(I)-thiostannat(IV) mit fuenf- und sechsfach koordiniertem Zinn Zeitschrift fuer Anorganische und Allgemeine Chemie, 1988, 562, 23-30 |
1539442 | CIF | Hg O2 | P b c a | 6.08; 6.01; 4.8 90; 90; 90 | 175.396 | Vannerberg, N.G. Formation and structure of mercuric peroxides Arkiv foer Kemi, 1959, 13, 515-521 |
1539448 | CIF | Ba H4 O6 | P b c a | 16.837; 6.407; 8.005 90; 90; 90 | 863.537 | Vannerberg, N.G. On the system Ba O2 - H2 O - H2 O2 3. The crystal structure of alpha-, beta-, and gamma-Ba O2 (H2 O2)2 and Ba O2 H2 O2 (H2 O)2 Arkiv foer Kemi, 1959, 14, 125-145 |
1539449 | CIF | Ca0.016 Fe0.666 Mg0.318 O3 Si | P b c a | 18.337; 8.971; 5.232 90; 90; 90 | 860.67 | Smyth, J.R. An orthopyroxene structure up to 850 degrees C American Mineralogist, 1973, 58, 636-648 |
1539692 | CIF | Ga2 S5 Sr2 | P b c a | 12.523; 12.034; 11.18 90; 90; 90 | 1684.85 | Eisenmann, B.; Hofmann, A. Schichtanionen in den Kristallstrukturen der isotypen Verbindungen Sr2 (Ga2 S5), Ba2 (In2 S5) und Ba2 (In2 Se5) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1990, 580, 151-159 |
1539697 | CIF | Ba2 In2 S5 | P b c a | 13.167; 12.723; 11.784 90; 90; 90 | 1974.1 | Eisenmann, B.; Hofmann, A. Schichtanionen in den Kristallstrukturen der isotypen Verbindungen Sr2(Ga2S5), Ba2(In2S5) und Ba2(In2Se5) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1990, 580, 151-159 |
1539701 | CIF | Ba2 In2 Se5 | P b c a | 13.657; 13.182; 12.225 90; 90; 90 | 2200.82 | Eisenmann, B.; Hofmann, A. Schichtanionen in den Kristallstrukturen der isotypen Verbindungen Sr2(Ga2S5), Ba2(In2S5) und Ba2(In2Se5) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1990, 580, 151-159 |
1540038 | CIF | Cl2 N2 S Se Te | P b c a | 8.432; 7.939; 19.974 90; 90; 90 | 1337.09 | Haas, A.; Kasprowski, J.; Pryka, M. Synthese, Strukturen und Eigenschaften von Cl2 Te Se N2 S und (Se2 N2 S)2(2+) (X S O3(-))2 (X= F, C F3) Chemische Berichte, 1992, 125, 789-792 |
1540283 | CIF | C4 Br20 Gd10 K2 | P b c a | 17.121; 13.186; 20.644 90; 90; 90 | 4660.54 | Liess, H.; Steffen, F.; Meyer, G. Qauternary chlorides and bromides with interstitially stabilized double octahedra, A2 (Gd10 (C2)2) Cl19 (A= Rb, Cs), A2 (Gd10 (C2)2) Br10 (A= K, Rb), Rb2 (Tb10 (C2)2) Br19, and K2 (Gd10 (C2)2) Br20 Journal of Alloys Compd., 1997, 246, 242-247 |
1540469 | CIF | C16 H15 Br N | P b c a | 16.0499; 7.6796; 22.6554 90; 90; 90 | 2792.4 | Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect Chem. Sci., 2015 |
1540471 | CIF | C17 H18 Br N | P b c a | 17.503; 8.0333; 21.133 90; 90; 90 | 2971.4 | Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect Chem. Sci., 2015 |
1540473 | CIF | C18 H20 Br N | P b c a | 16.319; 8.0724; 24.455 90; 90; 90 | 3221.5 | Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect Chem. Sci., 2015 |
1540481 | CIF | C21 H19 N O4 | P b c a | 9.4116; 15.8331; 24.7415 90; 90; 90 | 3686.8 | Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung γ- and δ-Lactams from the Leaves of Clausena lansium. Journal of natural products, 2015, 78, 2521-2530 |
1540489 | CIF | C38 H44 F12 N O3 P3 Pd | P b c a | 14.361; 22.678; 25.532 90; 90; 90 | 8315 | Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts Chem. Sci., 2016, 7, 737 |
1540497 | CIF | C62.9 H62.9 Cl2.71 | P b c a | 14.3269; 17.0916; 42.481 90; 90; 90 | 10402.3 | Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures Chem. Sci., 2016, 7, 896 |
1540499 | CIF | C39 H30 | P b c a | 16.2912; 15.2859; 43.96 90; 90; 90 | 10947.2 | Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures Chem. Sci., 2016, 7, 896 |
1540594 | CIF | C21 H16 O4 | P b c a | 11.3289; 14.3997; 19.8404 90; 90; 90 | 3236.6 | Zheng, Yang; Mao, Jincheng; Weng, Yuecheng; Zhang, Xiaolu; Xu, Xinfang Cyclopentadiene Construction via Rh-Catalyzed Carbene/Alkyne Metathesis Terminated with Intramolecular Formal [3 + 2] Cycloaddition. Organic letters, 2015, 17, 5638-5641 |
1540604 | CIF | C15 H13 B N4 | P b c a | 10.6778; 8.9179; 27.039 90; 90; 90 | 2574.75 | Adachi, Shinya; Liew, Sean K.; Lee, C. Frank; Lough, Alan; He, Zhi; Denis, Jeffrey D St; Poda, Gennady; Yudin, Andrei K. Condensation-Driven Assembly of Boron-Containing Bis(Heteroaryl) Motifs Using a Linchpin Approach. Organic letters, 2015, 17, 5594-5597 |
1540611 | CIF | C60 H56 Si4 | P b c a | 16.685; 16.536; 37.285 90; 90; 90 | 10287 | Fu, Xiangyu; Zhao, Dahui Cyclo-oligomerization of 6,12-Diethynyl Indeno[1,2-b]fluorenes via Diradical Intermediates. Organic letters, 2015, 17, 5694-5697 |
1540641 | CIF | C16 H18.37 N4 O7.68 Y | P b c a | 14.6954; 14.3307; 18.2161 90; 90; 90 | 3836.2 | Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction Inorganics, 2015, 3, 448 |
1540652 | CIF | C27 H63 Br6 Fe3 N9 | P b c a | 22.0243; 16.0659; 23.6931 90; 90; 90 | 8383.6 | Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts Polym. Chem., 2016, 7, 1037 |
1540665 | CIF | C22 H20 N4 O4 Zn | P b c a | 18.6866; 15.8553; 22.302 90; 90; 90 | 6607.7 | Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation CrystEngComm, 2016, 18, 1600 |
1540707 | CIF | C21 H16 F2 N4 O4 | P b c a | 24.4634; 6.1982; 25.443 90; 90; 90 | 3857.9 | Dang, Hester; Whittaker, Aaron M.; Lalic, Gojko Catalytic activation of a single C‒F bond in trifluoromethyl arenes Chem. Sci., 2016, 7, 505 |
1540721 | CIF | C43 H40 F6 N3 P3 Ru S | P b c a | 18.6608; 19.993; 21.8841 90; 90; 90 | 8164.6 | de Camargo, Mariana S.; da Silva, Monize M.; Correa, Rodrigo S.; Vieira, Sara D.; Castelli, Silvia; D'Anessa, Ilda; De Grandis, Rone; Varanda, Eliana; Deflon, Victor M.; Desideri, Alessandro; Batista, Alzir A. Inhibition of human DNA topoisomerase IB by nonmutagenic ruthenium(ii)-based compounds with antitumoral activity. Metallomics : integrated biometal science, 2016, 8, 179-192 |
1540722 | CIF | C42 H39 F6 N4 P3 Ru S | P b c a | 18.3794; 19.6522; 21.8753 90; 90; 90 | 7901.3 | de Camargo, Mariana S.; da Silva, Monize M.; Correa, Rodrigo S.; Vieira, Sara D.; Castelli, Silvia; D'Anessa, Ilda; De Grandis, Rone; Varanda, Eliana; Deflon, Victor M.; Desideri, Alessandro; Batista, Alzir A. Inhibition of human DNA topoisomerase IB by nonmutagenic ruthenium(ii)-based compounds with antitumoral activity. Metallomics : integrated biometal science, 2016, 8, 179-192 |
1540957 | CIF | As Cs Se2 | P b c a | 6.755; 9.689; 16.645 90; 90; 90 | 1089.4 | Sheldrick, W.S.; Haeusler, H.J. Zur Kenntnis von Alkalimetaselenoarseniten. Darstellung und Kristallstrukturen von M As Se2, M = K, Rb, Cs Zeitschrift fuer Anorganische und Allgemeine Chemie, 1988, 561, 139-148 |
1541011 | CIF | O3 Pb Rb4 | P b c a | 6.812; 11.7871; 19.7991 90; 90; 90 | 1589.74 | Stoll, H.; Brazel, B.; Hoppe, R. Neue Oxoplumbate(II) mit Inselstruktur: Rb4 (Pb O3) und Cs4 (Pb O3) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1988, 564, 45-60 |
1541034 | CIF | H8 O8 P4 U | P b c a | 7.467; 13.394; 19.904 90; 90; 90 | 1990.66 | Tanner, P.A.; Sze, T.; Mak, T.C.W.; Yip, W. Synthesis, crystal structure and vibrational spectra of uranium(IV)hypophosphite Journal of Crystallographic and Spectroscopic Research, 1992, 22, 25-30 |
1541344 | CIF | H4 Na2 O6 W | P b c a | 8.474; 10.602; 13.865 90; 90; 90 | 1245.65 | Okada, K.; Morikawa, H.; Marumo, F.; Iwai, S.I. Crystal structure of Na2 W O4 (H2 O)2 Bulletin of the Tokyo Institute of Technology, 1974, 120, 7-11 |
1541351 | CIF | H4 I4 K2 O2 Pt | P b c a | 12.934; 7.145; 13.626 90; 90; 90 | 1259.22 | Olsson, L.F.; Oskarsson, A. The crystal structure of potassium tetraiodoplatinate(II) dihydrate Acta Chemica Scandinavica (43,1989-), 1989, 43, 811-812 |
1541712 | CIF | C8 K4 Mo2 N8 O5 S8 | P b c a | 16.802; 20.311; 8.783 90; 90; 90 | 2997.33 | Bino, A.; Cohen, S.; Tsimering, L. The Crystal Structure of Potassium mue-oxo-bis(oxotetra(Isothio-cyanato)molybdate(V)) Tetrahydrate Inorganica Chimica Acta, 1983, 77, 79-80 |
1541728 | CIF | C9 H16 Cu2 N4 | P b c a | 12.848; 13.37; 13.967 90; 90; 90 | 2399.22 | Pretsch, T.; Hartl, H.; Bruedgam, I. Konformation und Vernetzung von (Cu C N)6 - Ringen in polymeren Cyanocupraten(I) (infty n)(Cu2 (C N)(3))(-) (n = 2, 3) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 353-360 |
1541736 | CIF | C H12 Cl4 Cu N6 O | P b c a | 10.07; 11.603; 18.39 90; 90; 90 | 2148.73 | Savel'eva, Z.A.; Romanenko, G.V.; Larionov, S.V.; Sheludyakova, L.A. Synthesis and structure of a complex with the coordinated triaminoguanidinium(2+) ion, (Cu (TAG H2) Cl3) Cl . (H2 O) Polyhedron, 2000, 19, 1737-1740 |
1541791 | CIF | Ce H8 N3 O13 | P b c a | 11.756; 12.901; 13.522 90; 90; 90 | 2050.8 | Milinski, N.; Radivojevic, P.; Djuric, S.; Ribar, B. Tetraaquatri(nitrato)cerium(III), Ce (H2 O)4 (N O3)3 Crystal Structure Communications, 1982, 11, 1241-1244 |
1541866 | CIF | C3 H2 Cs Cu2 N3 O | P b c a | 8.7597; 6.7809; 27.113 90; 90; 90 | 1610.48 | Pretsch, T.; Bruedgam, I.; Hartl, H. Konformation und Vernetzung von (Cu C N)6 - Ringen in polymeren Cyanocupraten(I) (infty n)(Cu2 (C N)(3))(-) (n = 2, 3) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 353-360 |
1541868 | CIF | Ge Na2 O7 Ti Zn2 | P b c a | 20.453; 11.844; 5.221 90; 90; 90 | 1264.76 | Sandomirskii, P.A.; Evstigneyeva, T.; Simonov, M.A.; Belov, N.V. Crystal structure of Na2 Ti Zn2 Ge O4 O3 Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1976, 17, 1080-1083 |
1541925 | CIF | C25 H32 O3 S | P b c a | 16.05; 11.2326; 24.8893 90; 90; 90 | 4487.1 | Chang, Meng-Yang; Cheng, Yu-Chieh Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol. Organic letters, 2016, 18, 608-611 |
1541947 | CIF | Bi Cr H O5 | P b c a | 11.311; 9.728; 7.314 90; 90; 90 | 804.784 | Aurivillius, B.; Loewenhielm, A. The crystal structure of the orthorhombic modification of Bi O H Cr O4. A refinement of the structure of monoclinic Bi O H Cr O4 Acta Chemica Scandinavica (1-27,1973-42,1988), 1964, 18, 1937-1957 |
1542044 | CIF | B H4 Li O4 | P b c a | 9.169; 7.958; 8.548 90; 90; 90 | 623.721 | Kutschabsky, L.; Reck, G. Anwendung der Methode der linearen Strukturfaktorgleichungssysteme zur Bestimmung des Strukturprinzips zentrosymmetrischer Strukturen aus Harkerschnitten Monatsberichte der Deutschen Akademie der Wissenschaften zu Berlin, 1966, 8, 648-654 |
1542046 | CIF | Fe Li5 O4 | P b c a | 9.218; 9.213; 9.159 90; 90; 90 | 777.832 | Luge, R.; Hoppe, R. Zur Kenntnis von Li5 Fe O4. Mit einer Notiz ueber Mischkristalle Na5 Fe1-x Gax O4 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1984, 513, 141-150 |
1542271 | CIF | C18 H34 Cr N4 | P b c a | 11.3075; 17.5868; 20.908 90; 90; 90 | 4157.8 | Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L. A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity Chem. Sci., 2016, 7, 2532 |
1542273 | CIF | C20 H36 Cr N4 O | P b c a | 16.6334; 14.8352; 18.1191 90; 90; 90 | 4471.1 | Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L. A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity Chem. Sci., 2016, 7, 2532 |
1542300 | CIF | C42 H40 F3 Ir N6 O3 S3 | P b c a | 13.346; 19.6302; 30.1437 90; 90; 90 | 7897.2 | Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging Chem. Sci., 2016, 7, 3123 |
1542342 | CIF | C10 H12 F4 N2 O | P b c a | 7.1579; 12.4992; 24.3054 90; 90; 90 | 2174.6 | Charpentier, Julie; Früh, Natalja; Foser, Simon; Togni, Antonio Tandem Radical Fluoroalkylation-Cyclization: Synthesis of Tetrafluoro Imidazopyridines. Organic letters, 2016, 18, 756-759 |
1542444 | CIF | C18 H12 N2 O2 | P b c a | 16.336; 7.549; 21.555 90; 90; 90 | 2658 | Li, Ting; Wang, Zhiqiang; Xu, Kun; Liu, Wenmin; Zhang, Xu; Mao, Wutao; Guo, Yongming; Ge, Xiaolin; Pan, Fei Rhodium-Catalyzed/Copper-Mediated Tandem C(sp(2))-H Alkynylation and Annulation: Synthesis of 11-Acylated Imidazo[1,2-a:3,4-a']dipyridin-5-ium-4-olates from 2H-[1,2'-Bipyridin]-2-ones and Propargyl Alcohols. Organic letters, 2016, 18, 1064 |
1542455 | CIF HKL Paper | C10 H10 N4 O | P b c a | 10.2208; 10.8693; 18.1059 90; 90; 90 | 2011.44 | Cunha, Anna C.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Ferreira, Vitor F.; de Almeida, Maria C. B.; Wardell, James L.; Tiekink, Edward R. T. 1-Anilino-5-methyl-1<i>H</i>-1,2,3-triazole-4-carbaldehyde IUCrData, 2016, 1, x160038 |
1542492 | CIF HKL Paper | C25 H20 O12 | P b c a | 20.944; 9.316; 24.309 90; 90; 90 | 4743 | Moriguchi, Tetsuji; Sakao, Kozue; Hou, De-Xing; Yoza, Kenji 3,5,7-Triacetoxy-2-(3,4-diacetoxyphenyl)-4<i>H</i>-1-benzopyran-4-one IUCrData, 2016, 1, x160028 |
1542531 | CIF HKL Paper | C26 H30 Cl4 N6 Ni2 O2 | P b c a | 11.913; 11.445; 20.7458 90; 90; 90 | 2828.6 | Glazier, Brian M.; Golen, James A.; Manke, David R. Di-μ-chlorido-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)nickel(II)] IUCrData, 2016, 1, x160259 |
1542558 | CIF | C68 H74 N Ni O3 P3 S3 Si3 | P b c a | 27.4702; 17.1432; 27.9778 90; 90; 90 | 13175.5 | Chiou, Tzung-Wen; Tseng, Yen-Ming; Lu, Tsai-Te; Weng, Tsu-Chien; Sokaras, Dimosthenes; Ho, Wei-Chieh; Kuo, Ting-Shen; Jang, Ling-Yun; Lee, Jyh-Fu; Liaw, Wen-Feng [NiIII(OMe)]-mediated reductive activation of CO2affording a Ni(κ1-OCO) complex Chem. Sci., 2016, 7, 3640 |
1542559 | CIF | C68 H74 N2 Ni O2 P3 S3 Si3 | P b c a | 27.5733; 17.0409; 27.8585 90; 90; 90 | 13090 | Chiou, Tzung-Wen; Tseng, Yen-Ming; Lu, Tsai-Te; Weng, Tsu-Chien; Sokaras, Dimosthenes; Ho, Wei-Chieh; Kuo, Ting-Shen; Jang, Ling-Yun; Lee, Jyh-Fu; Liaw, Wen-Feng [NiIII(OMe)]-mediated reductive activation of CO2affording a Ni(κ1-OCO) complex Chem. Sci., 2016, 7, 3640 |
1542575 | CIF | C21 H15 Br N4 | P b c a | 13.3161; 7.7509; 33.992 90; 90; 90 | 3508.4 | Cai, Qun; Li, Deng-Kui; Zhou, Rong-Rong; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin Acid-Catalyzed Multicomponent Tandem Cyclizations: Access to Polyfunctional Dihydroindolizino[8,7-b]indoles. Organic letters, 2016, 18, 1342-1345 |
1542631 | CIF | C17 H22 N2 O5 | P b c a | 8.5688; 19.141; 21.222 90; 90; 90 | 3480.7 | Izumi, Sanae; Kobayashi, Yusuke; Takemoto, Yoshiji Catalytic Asymmetric Synthesis of anti-α,β-Diamino Acid Derivatives. Organic letters, 2016, 18, 696-699 |
1542662 | CIF | C18 H9 O P S2 | P b c a | 8.0119; 20.775; 34.265 90; 90; 90 | 5703.3 | Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms. Organic letters, 2016, 18, 816-819 |
1542671 | CIF | C28 H20 N2 O6 S | P b c a | 13.7519; 14.9993; 22.6562 90; 90; 90 | 4673.27 | Kumar, N. N. Bhuvan; Kutateladze, Andrei G. Photoassisted Diversity-Oriented Synthesis: Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxazole Pendants, and Subsequent Postphotochemical Multicomponent Modifications. Organic letters, 2016, 18, 460-463 |
1542680 | CIF | C16 H12 O3 | P b c a | 10.0417; 18.527; 26.755 90; 90; 90 | 4977.6 | More, Atul A.; Ramana, Chepuri V. o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A. Organic letters, 2016, 18, 612-615 |
1542689 | CIF | C11 H10 N4 O3 | P b c a | 10.487; 13.0919; 16.145 90; 90; 90 | 2216.6 | Pawar, Govind Goroba; Brahmanandan, Abhilashamole; Kapur, Manmohan Palladium(II)-Catalyzed, Heteroatom-Directed, Regioselective C-H Nitration of Anilines Using Pyrimidine as a Removable Directing Group. Organic letters, 2016, 18, 448-451 |
1542744 | CIF | C14 H17 N O3 | P b c a | 9.1055; 9.4967; 30.8939 90; 90; 90 | 2671.46 | Zhu, Chuanle; Li, Jiawei; Chen, Pengquan; Wu, Wanqing; Ren, Yanwei; Jiang, Huanfeng Transition-Metal-Free Cyclopropanation of 2-Aminoacrylates with N-Tosylhydrazones: A General Route to Cyclopropane α-Amino Acid with Contiguous Quaternary Carbon Centers. Organic letters, 2016, 18, 1470-1473 |
1542887 | CIF HKL | C16 H13 N O2 | P b c a | 14.6122; 8.3882; 20.911 90; 90; 90 | 2563.1 | Sharmila, N.; Sundar, T. V.; Satish, G.; Venkatesan, P. 1-Benzyl-5-methylindoline-2,3-dione IUCrData, 2016, 1, x160381 |
1542902 | CIF HKL Paper | C18 H18 O3 | P b c a | 16.1115; 7.704; 23.873 90; 90; 90 | 2963.2 | Queiroz, Jaqueline Evangelista; Vila Verde, Giuliana Muniz; Pereira, Mariette Miguens; Ramos Silva, Manuela; Aquino, Gilberto L. B. 4-(4-Methoxyphenyl)-5,7-dimethylchroman-2-one IUCrData, 2016, 1, x160430 |
1542917 | CIF HKL | C16 H26 Ca N4 O6 S2 | P b c a | 9.3535; 13.8812; 16.9106 90; 90; 90 | 2195.64 | N. Golovnev; M. Molokeev; A. Samoilo; V. Atuchin Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+ Journal of Coordination Chemistry, 2016, 69, 957-965 |
1542918 | CIF HKL | C16 H26 N4 O6 S2 Sr | P b c a | 9.529; 14.161; 17.094 90; 90; 90 | 2306.7 | N. Golovnev; M. Molokeev; A. Samoilo; V. Atuchin Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+ Journal of Coordination Chemistry, 2016, 69, 957-965 |
1542944 | CIF | C16 H11 F5 O | P b c a | 22.905; 7.8263; 15.601 90; 90; 90 | 2796.7 | Wu, Xin-Xing; Chen, Wen-Long; Shen, Yi; Chen, Si; Xu, Peng-Fei; Liang, Yong-Min Palladium-Catalyzed Domino Heck/Intermolecular C-H Bond Functionalization: Efficient Synthesis of Alkylated Polyfluoroarene Derivatives. Organic letters, 2016, 18, 1784-1787 |
1542966 | CIF | C23 H17 Cl N2 O S2 | P b c a | 9.1702; 18.4101; 24.3386 90; 90; 90 | 4108.9 | Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE) Chem. Sci., 2016, 7, 4485 |
1542996 | CIF | C17 H13 F N2 O3 | P b c a | 7.3389; 15.6186; 23.534 90; 90; 90 | 2697.5 | Duret, Guillaume; Quinlan, Robert; Martin, Rainer E.; Bisseret, Philippe; Neuburger, Markus; Gandon, Vincent; Blanchard, Nicolas Inverse Electron-Demand [4 + 2]-Cycloadditions of Ynamides: Access to Novel Pyridine Scaffolds. Organic letters, 2016, 18, 1610-1613 |
1543006 | CIF | C34 H24 Br2 F2 | P b c a | 8.29; 16.342; 39.875 90; 90; 90 | 5402 | Chang, Meng-Yang; Cheng, Yu-Chieh Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides. Organic letters, 2016, 18, 1682-1685 |
1543012 | CIF | C29 H20 F5 N O2 S2 | P b c a | 19.4188; 11.5902; 22.8272 90; 90; 90 | 5137.7 | Qiu, Yi-Feng; Song, Xian-Rong; Li, Ming; Zhu, Xin-Yu; Wang, An-Qi; Yang, Fang; Han, Ya-Ping; Zhang, Heng-Rui; Jin, Dong-Po; Li, Ying-Xiu; Liang, Yong-Min BF3·OEt2-AgSCF3 Mediated Trifluoromethylthiolation/Cascade Cyclization of Propynols: Synthesis of 4-((Trifluoromethyl)thio)-2H-chromene and 4-((Trifluoromethyl)thio)-1,2-dihydroquinoline Derivatives. Organic letters, 2016, 18, 1514-1517 |
1543039 | CIF HKL Paper | C22 H20 N2 O4 | P b c a | 15.1498; 7.4949; 16.4795 90; 90; 90 | 1871.19 | Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid 1,1'-(Hexane-1,6-diyl)bis(indoline-2,3-dione) IUCrData, 2016, 1, x160542 |
1543040 | CIF HKL Paper | C24 H20 N4 O2 S | P b c a | 9.8513; 15.0619; 28.931 90; 90; 90 | 4292.76 | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Ahmed, Gamal A.-W.; Albayati, Mustafa R. 5-Acetyl-2-{[(1<i>H</i>-benzimidazol-2-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile IUCrData, 2016, 1, x160492 |
1543052 | CIF HKL | C6 H12 O6 | P b c a | 14.1313; 11.0757; 9.36191 90; 90; 90 | 1465.27 | Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco On the correlation between hydrogen bonding and melting points in the inositols IUCrJ, 2013, 1, 61-73 |
1543099 | CIF | C22 H19 N O3 | P b c a | 18.7479; 9.6392; 19.3565 90; 90; 90 | 3498 | Gollapelli, Krishna Kumar; Kallepu, Shivakrishna; Govindappa, Nagendra; Nanubolu, Jagadeesh babu; Chegondi, Rambabu Carbonyl-Assisted Reverse Regioselective Cascade Annulation of 2-Acetylenic Ketones Triggered by Ru-Catalyzed C‒H Activation Chem. Sci., 2016 |
1543125 | CIF HKL Paper | C10 H8 O4 | P b c a | 13.217; 9.831; 13.627 90; 90; 90 | 1771 | Bai, Jun-Hua; Dong, Jin-Long 7-Hydroxy-4-(hydroxymethyl)coumarin IUCrData, 2016, 1, x160598 |
1543165 | CIF HKL Paper | C17 H13 N O2 | P b c a | 8.2585; 7.2677; 44.4667 90; 90; 90 | 2668.9 | Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid 1-[(2<i>E</i>)-3-Phenylprop-2-en-1-yl]-1<i>H</i>-indole-2,3-dione IUCrData, 2016, 1, x160633 |
1543176 | CIF HKL | C17 H16 N2 O | P b c a | 16.5042; 9.6896; 18.1221 90; 90; 90 | 2898.07 | Essaghouani, Abdelhanine; Bouzian, Younos; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen 1-Ethyl-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one IUCrData, 2016, 1, x160661 |
1543235 | CIF | C22 H19 N O | P b c a | 14.2222; 12.0292; 19.1416 90; 90; 90 | 3274.8 | Gu, Zheng-Yang; Liu, Cheng-Guo; Wang, Shun-Yi; Ji, Shun-Jun Pd-Catalyzed Intramolecular Heck Reaction, C(sp(2))-H Activation, 1,4-Pd Migration, and Aminopalladation: Chemoselective Synthesis of Dihydroindeno[1,2,3-kl]acridines and 3-Arylindoles. Organic letters, 2016, 18, 2379-2382 |
1543254 | CIF HKL Paper | C8 H3 Cl2 N O2 | P b c a | 8.6253; 7.125; 26.289 90; 90; 90 | 1615.6 | Mastrolia, Ronald J.; Golen, James A.; Manke, David R. 4,6-Dichloro-1<i>H</i>-indole-2,3-dione IUCrData, 2016, 1, x160695 |
1543272 | CIF | C23 H15 N | P b c a | 19.533; 7.5052; 21.247 90; 90; 90 | 3114.8 | Singh, Karandeep; Singh, Ajay K.; Singh, Devendra; Singh, Rakhi; Sharma, Siddharth Pd/Fe3O4supported on nitrogen-doped reduced graphene oxide for room-temperature isocyanide insertion reactions Catal. Sci. Technol., 2016, 6, 3723 |
1543291 | CIF | C55 H116 K2 O16 S2 Si4 U | P b c a | 19.2882; 19.378; 40.5378 90; 90; 90 | 15151.7 | Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands Chem. Sci., 2016, 7, 5846 |
1543304 | CIF | C10 H12 N2 O | P b c a | 13.6534; 6.92272; 18.544 90; 90; 90 | 1752.75 | Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides. Organic letters, 2016, 18, 2391-2394 |
1543315 | CIF | C38 H33 B Fe N6 O3 | P b c a | 17.503; 10.588; 36.844 90; 90; 90 | 6828 | Sheet, Debobrata; Paine, Tapan Kanti Aerobic alcohol oxidation and oxygen atom transfer reactions catalyzed by a nonheme iron(ii)‒α-keto acid complex Chem. Sci., 2016, 7, 5322 |
1543320 | CIF HKL Paper | C13 H9 Br Cl N3 | P b c a | 12.1163; 9.7911; 20.9428 90; 90; 90 | 2484.48 | Bourichi, Selma; Kandri Rodi, Youssef; Ouzidan, Younes; Mague, Joel T.; Essassi, El Mokhtar; Zouihri, Hafid 6-Bromo-2-(4-chlorophenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine IUCrData, 2016, 1, x160763 |
1543324 | CIF | C36 H10 F10 S2 | P b c a | 9.5254; 12.2658; 24.0109 90; 90; 90 | 2805.35 | Marshall, Jonathan L.; Uchida, Kazuyuki; Frederickson, Conerd K.; Schütt, Christian; Zeidell, Andrew M.; Goetz, Katelyn P.; Finn, Tristan W.; Jarolimek, Karol; Zakharov, Lev N.; Risko, Chad; Herges, Rainer; Jurchescu, Oana D.; Haley, Michael M. Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character Chem. Sci., 2016, 7, 5547 |
1543366 | CIF | C18.5 H22 Cl N O8 | P b c a | 7.5805; 17.2484; 32.295 90; 90; 90 | 4222.62 | Zhou, Qing-Fa; Zhang, Kui; Cai, Lingchao; Kwon, Ohyun Phosphine-Catalyzed Intramolecular Cyclizations of α-Nitroethylallenoates Forming (Z)-Furanone Oximes. Organic letters, 2016, 18, 2954-2957 |
1543400 | CIF | C15 H15 N O | P b c a | 9.7259; 12.0868; 19.6834 90; 90; 90 | 2313.9 | Pusch, Stefan; Schollmeyer, Dieter; Opatz, Till A Light-Induced Vinylogous Nazarov-Type Cyclization. Organic letters, 2016, 18, 3043-3045 |
1543401 | CIF | C18 H19 N O3 | P b c a | 13.6505; 13.7482; 15.8641 90; 90; 90 | 2977.2 | Pusch, Stefan; Schollmeyer, Dieter; Opatz, Till A Light-Induced Vinylogous Nazarov-Type Cyclization. Organic letters, 2016, 18, 3043-3045 |
1543405 | CIF | C18 H19 N | P b c a | 15.415; 8.1212; 21.625 90; 90; 90 | 2707.2 | Stepherson, Jacob R.; Ayala, Caitlan E.; Tugwell, Thomas H.; Henry, Jeffrey L.; Fronczek, Frank R.; Kartika, Rendy Carbazole Annulation via Cascade Nucleophilic Addition-Cyclization Involving 2-(Silyloxy)pentadienyl Cation. Organic letters, 2016, 18, 3002-3005 |
1543431 | CIF | C2 H11 B10 N O2 | P b c a | 9.8848; 9.8277; 20.924 90; 90; 90 | 2032.7 | Zhao, Da; Xie, Zuowei [3-N2-o-C2B10H11][BF4]: a useful synthon for multiple cage boron functionalizations of o-carborane Chem. Sci., 2016, 7, 5635 |
1543520 | CIF | C57 H86 N2 Pd Zn4 | P b c a | 25.6662; 25.5792; 35.0042 90; 90; 90 | 22981 | Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A. Zn⋯Zn interactions at nickel and palladium centers Chem. Sci., 2016, 7, 6413 |
1543527 | CIF | C20 H15 N O2 S | P b c a | 10.7582; 15.1305; 20.2832 90; 90; 90 | 3301.64 | Chen, Fei; Meng, Qiang; Han, Shang-Qing; Han, Bing tert-Butyl Hydroperoxide (TBHP)-Initiated Vicinal Sulfonamination of Alkynes: A Radical Annulation toward 3-Sulfonylindoles. Organic letters, 2016, 18, 3330-3333 |
1543535 | CIF HKL Paper | C18 H16 N2 O2 S | P b c a | 11.7526; 10.4082; 25.5656 90; 90; 90 | 3127.27 | Sebbar, Nada Kheira; Ellouz, Mohamed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen 4-[(3-Phenyl-4,5-dihydroisoxazol-5-yl)methyl]-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one IUCrData, 2016, 1, x161012 |
1543550 | CIF | C20 H26 Cl N O Os | P b c a | 12.8543; 18.2467; 32.5773 90; 90; 90 | 7641 | Preshendren Govender; Fabio Edafe; Banothile C.E. Makhubela; Paul J. Dyson; Bruno Therrien; Gregory S. Smith Neutral and cationic osmium(II)-arene metallodendrimers: Synthesis, characterisation and anticancer activity Inorganica Chimica Acta, 2014, 112-120 |
1543563 | CIF | C8 H8 Cl5 N4 O2 P3 | P b c a | 11.2649; 8.5931; 34.9591 90; 90; 90 | 3384.06 | Hanife Ibisoglu; Serap Besli; Fatma Yuksel; Ilker Un; Adem Kilic Investigation of nucleophilic substitution pathway for the reactions of 1,4-benzodioxan-6-amine with chlorocyclophosphazenes Inorganica Chimica Acta, 2014, 216-226 |
1543627 | CIF | C9 H7 N O5 S | P b c a | 11.021; 9.374; 18.596 90; 90; 90 | 1921.2 | Shi, Lei; Yang, Jian Hai; Zeng, Hai Bo; Chen, Yong Mei; Yang, Sheng Chun; Wu, Chao; Zeng, Hao; Yoshihito, Osada; Zhang, Qiqing Carbon dots with high fluorescence quantum yield: the fluorescence originates from organic fluorophores. Nanoscale, 2016, 8, 14374-14378 |
1543631 | CIF | C38 H26 | P b c a | 15.7112; 15.4073; 21.2986 90; 90; 90 | 5155.7 | Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R. Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s Chem. Sci., 2016, 7, 6357 |
1543635 | CIF | C38 H22 F4 | P b c a | 15.7303; 15.2924; 23.248 90; 90; 90 | 5592.4 | Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R. Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s Chem. Sci., 2016, 7, 6357 |
1543671 | CIF HKL | C24 H18 F N3 O2 | P b c a | 18.4827; 9.8467; 22.0681 90; 90; 90 | 4016.3 | Madan Kumar, S.; Vasantha, Kumar; Boja, Poojary; Byrappa, K.; Warad, Ismail Ethyl 2-(4-cyanophenyl)-1-(4-fluorobenzyl)-1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate IUCrData, 2016, 1, x161124 |
1543738 | CIF HKL Paper | C26 H26 Si | P b c a | 7.49; 18.968; 28.635 90; 90; 90 | 4068 | Medvedev, Michael G.; Izmer, Vyatcheslav V.; Kononovich, Dmitry S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z. 5-Butyl-5-(2-methyl-1<i>H</i>-inden-1-yl)-5<i>H</i>-dibenzo[<i>b</i>,<i>d</i>]silole IUCrData, 2016, 1, x161151 |
1543892 | CIF | C20 H12 N2 O S2 | P b c a | 7.3899; 13.5531; 32.123 90; 90; 90 | 3217.3 | Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling. Chemical science, 2017, 8, 169-173 |
1543940 | CIF HKL | C12 H32 Br4 N2 Zn | P b c a | 12.383; 13.145; 26.51 90; 90; 90 | 4315 | Seck, Gorgui Awa; Sene, Aboubacary; Diop, Libasse; Schmidt, Horst Bis(triethylammonium) tetrabromidozincate IUCrData, 2016, 1, x161317 |
1544030 | CIF HKL Paper | C36 H30 S4 | P b c a | 8.717; 16.325; 21.043 90; 90; 90 | 2994.5 | Moriguchi, Tetsuji; Yakeya, Daisuke; Jalli, Venkataprasad; Tsuge, Akihiko Bis[3,11-dithiatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaen-7-yl]-1,3-butadiyne IUCrData, 2016, 1 |
1544039 | CIF | C48 H40 N2 O4 S2 | P b c a | 19.904; 8.9529; 24.941 90; 90; 90 | 4444.4 | Paek, S.; Zimmermann, I.; Gao, P.; Gratia, P.; Rakstys, K.; Grancini, G.; Nazeeruddin, Mohammad Khaja; Rub, Malik Abdul; Kosa, Samia A.; Alamry, Khalid A.; Asiri, Abdullah M. Donor‒π‒donor type hole transporting materials: marked π-bridge effects on optoelectronic properties, solid-state structure, and perovskite solar cell efficiency Chem. Sci., 2016, 7, 6068 |
1544147 | CIF HKL Paper | C7 H7 F N2 O2 | P b c a | 13.1126; 6.8916; 16.1831 90; 90; 90 | 1462.41 | Gajda, Katarzyna; Dziuk, Błażej; Daszkiewicz, Zdzisław 4-Fluoro-<i>N</i>-methyl-<i>N</i>-nitroaniline IUCrData, 2016, 1, x161446 |
1544189 | CIF | C24 H27 Br N2 O2 | P b c a | 13.636; 10.254; 30.557 90; 90; 90 | 4272.6 | Lu, Kui; Ma, Yantao; Gao, Meile; Liu, Yan; Li, Ming; Xu, Chuanming; Zhao, Xia; Yu, Peng 1,4-Addition Ugi Reaction Using Cyclic α,β-Unsaturated Ketone as Substrate. Organic letters, 2016, 18, 5038-5041 |
1544237 | CIF | C64 H102 Dy2 O8 | P b c a | 19.3566; 15.6297; 20.726 90; 90; 90 | 6270.4 | Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers. Chemical science, 2017, 8, 1288-1294 |
1544238 | CIF | C64 H102 O8 Y2 | P b c a | 19.3525; 15.6285; 20.6896 90; 90; 90 | 6257.6 | Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers. Chemical science, 2017, 8, 1288-1294 |
1544239 | CIF | C64 H102 Gd2 O8 | P b c a | 19.3419; 15.68151; 20.772 90; 90; 90 | 6300.36 | Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers. Chemical science, 2017, 8, 1288-1294 |
1544245 | CIF | C25 H40 Cl2 N4 O9 Zn2 | P b c a | 20.1218; 15.6745; 21.2107 90; 90; 90 | 6689.8 | Martínez, Javier; Castro-Osma, José A.; Lara-Sánchez, Agustín; Otero, Antonio; Fernández-Baeza, Juan; Tejeda, Juan; Sánchez-Barba, Luis F.; Rodríguez-Diéguez, Antonio Ring-opening copolymerisation of cyclohexene oxide and carbon dioxide catalysed by scorpionate zinc complexes Polym. Chem., 2016, 7, 6475 |
1544308 | CIF HKL Paper | C11 H17 N3 O5 S | P b c a | 7.1432; 13.35; 29.4794 90; 90; 90 | 2811.21 | Thayanithi, V.; Kumar, P. Praveen; Gunasekaran, B. Creatinium 4-methylbenzenesulfonate IUCrData, 2016, 1, x161622 |
1544320 | CIF | C30 H54 N10 O17 S4 | P b c a | 18.5465; 16.3492; 28.7869 90; 90; 90 | 8728.8 | Feng, Wei-Xu; van der Lee, Arie; Legrand, Yves-Marie; Petit, Eddy; Dumitrescu, Dan; Su, Cheng-Yong; Barboiu, Mihail Adaptive Encapsulation of ω-Amino Acids and Their Guanidinium-Amide Congeners. Organic letters, 2016, 18, 5556-5559 |
1544325 | CIF | C24 H32 Co N4 O2 P | P b c a | 15.072; 17.0259; 18.8998 90; 90; 90 | 4849.96 | Brueggeller, Peter; Strabler, Christof; Sinn, Stephan; Pehn, Richard; Pann, Johann; Dutzler, Julian; Viertl, Wolfgang; Prock, Johannes; Ehrmann, Katharina; Weninger, Alexander; Kopacka, Holger; De Cola, Luisa Stabilisation effects of phosphane ligands in the homogeneous approach of sunlight induced hydrogen production Faraday Discuss., 2016 |
1544332 | CIF | O4 Si Zn2 | P b c a | 10.9179; 9.6728; 6.1184 90; 90; 90 | 646.14 | Liu, X.; Kanzaki, M.; Xue, X. Crystal structures of Zn2SiO4 III and IV synthesized at 6.5-8 GPa and 1,273 K Physics and Chemistry of Minerals, 2013, 40, 467-478 |
1544366 | CIF | C26 H19 I | P b c a | 16.0575; 11.4137; 21.6746 90; 90; 90 | 3972.4 | Wang, Ming; Fan, Qiaoling; Jiang, Xuefeng Transition-Metal-Free Diarylannulated Sulfide and Selenide Construction via Radical/Anion-Mediated Sulfur-Iodine and Selenium-Iodine Exchange. Organic letters, 2016, 18, 5756-5759 |
1544410 | CIF | Hf O2 | P b c a | 10.0172; 5.2276; 5.0598 90; 90; 90 | 264.961 | Ohtaka, O.; Yamanaka, T.; Kume, S. Synthesis and X-ray structural analysis by the Rietveld method of orthorhombic hafnia Nippon Seramikkusu Kyokai Gakujutsu Ronbunshi, 1991, 99, 826-827 |
1544422 | CIF | C22 H26 N2 O2 | P b c a | 11.3119; 7.3309; 22.1215 90; 90; 90 | 1834.46 | Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N. Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core. Langmuir : the ACS journal of surfaces and colloids, 2016, 32, 11946 |
1544437 | CIF HKL Paper | C17 H21 N3 O S | P b c a | 11.7947; 14.2221; 18.7864 90; 90; 90 | 3151.3 | de Oliveira, Gabriela Porto; Bresolin, Leandro; Nogueira, Vanessa Senna; Zambiazi, Priscila Jussiane; de Oliveira, Adriano Bof 4-Phenyl-1-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]hydrazinecarbothioamide IUCrData, 2016, 1, x161730 |
1544440 | CIF HKL Paper | C34 H27 N5 O2 | P b c a | 14.7421; 17.5573; 21.4675 90; 90; 90 | 5556.5 | Seethalakshmi, P.; Palanivel, C. 1-Benzyl-3'-[(1<i>H</i>-indol-3-yl)carbonyl]-1'-methyl-2-oxo-4'-(pyridin-3-yl)spiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile IUCrData, 2016, 1, x161686 |
1544517 | CIF | C33 H42 Cl6 Ir2 N4 O4 | P b c a | 14.9782; 15.0278; 17.4463 90; 90; 90 | 3927 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
1544531 | CIF HKL Paper | C18 H22 Cl Mn N2 O10 | P b c a | 13.978; 13.208; 22.137 90; 90; 90 | 4087 | Noor, Shabana; Seidel, Rüdiger W.; Goddard, Richard; Kumar, Sarvendra; Sabir, Suhail Redetermination of diaqua[<i>N</i>,<i>N</i>'-bis(3-methoxy-2-oxidobenzylidene)ethylenediamine-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate at 100K IUCrData, 2016, 1, x161735 |
1544533 | CIF | H O6 P Tl V | P b c a | 9.257; 17.518; 6.81 90; 90; 90 | 1104.3 | Huan, Guohe; Johnson, Jack W.; Jacobson, Allan J.; Corcoran, Edwards W. Jr.; Goshorn, David P. Synthesis and crystal structure of two thallium vanadium phosphates : TlVO2(HPO4) and Tl3V2O3(VO)(PO4)2(HPO4) Journal of Solid State Chemistry, 1991, 93, 514-525 |
1544543 | CIF HKL Paper | C22 H18 Fe2 O3 | P b c a | 14.8773; 12.2499; 19.3288 90; 90; 90 | 3522.59 | McAdam, C. John; Simpson, Jim Ferrocenecarboxylic anhydride: a redetermination IUCrData, 2016, 1, x161769 |
1544554 | CIF | C25 H32 Si2 | P b c a | 6.657; 34.537; 19.811 90; 90; 90 | 4555 | Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction. Chemical science, 2017, 8, 101-107 |
1544657 | CIF | C12 H30 I6 N2 Pb | P b c a | 9.0651; 8.8852; 33.617 90; 90; 90 | 2707.7 | Smith, Matthew D.; Pedesseau, Laurent; Kepenekian, Mikaël; Smith, Ian C.; Katan, Claudine; Even, Jacky; Karunadasa, Hemamala I. Decreasing the electronic confinement in layered perovskites through intercalation. Chemical science, 2017, 8, 1960-1968 |
1544692 | CIF HKL Paper | C15 H14 N2 S | P b c a | 11.0177; 7.8508; 29.691 90; 90; 90 | 2568.2 | Tang, Yi-Wen; Wang, Jing-Hang; Xie, Qing-Yuan; Wang, Quan; Wu, Jie-Ying 4-(Benzo[<i>d</i>]thiazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline IUCrData, 2016, 1, x161847 |
1544822 | CIF | C14 H10 N2 O2 | P b c a | 8.2; 12.4012; 21.182 90; 90; 90 | 2154 | Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds. Chemical science, 2017, 8, 2431-2435 |
1544926 | CIF | C24 H10 Al F15 O2 | P b c a | 18.8274; 12.704; 19.8612 90; 90; 90 | 4750.5 | Wang, Qianyi; Zhao, Wuchao; He, Jianghua; Zhang, Yuetao; Chen, Eugene Y.-X. Living Ring-Opening Polymerization of Lactones by N-Heterocyclic Olefin/Al(C6F5)3 Lewis Pairs: Structures of Intermediates, Kinetics, and Mechanism Macromolecules, 2017, 50, 123 |
1544962 | CIF | C20 H18 N2 O3 | P b c a | 12.422; 14.815; 17.902 90; 90; 90 | 3294.5 | Cheng, Jian; Li, Weipeng; Duan, Yingqian; Cheng, Yixiang; Yu, Shouyun; Zhu, Chengjian Relay Visible-Light Photoredox Catalysis: Synthesis of Pyrazole Derivatives via Formal [4 + 1] Annulation and Aromatization. Organic letters, 2016 |
1545102 | CIF | C36 H44 N2 O2 Zn | P b c a | 14.482; 15.42; 27.296 90; 90; 90 | 6096 | Jędrzkiewicz, Dawid; Adamus, Grażyna; Kwiecień, Michał; John, Łukasz; Ejfler, Jolanta Lactide as the Playmaker of the ROP Game: Theoretical and Experimental Investigation of Ring-Opening Polymerization of Lactide Initiated by Aminonaphtholate Zinc Complexes. Inorganic chemistry, 2017, 56, 1349-1365 |
1545117 | CIF HKL | C20 H14 Br2 N2 O2 | P b c a | 7.4379; 18.736; 25.4469 90; 90; 90 | 3546.2 | Dekar, Souad; Bendia, Sabrina; Ouari, Kamel 2,2'-[(1<i>E</i>,1'<i>E</i>)-1,2-Phenylenebis(azanylylidene)bis(methanylylidene)]bis(4-bromophenol) IUCrData, 2017, 2, x170077 |
1545185 | CIF | C24 H39 Np Si3 | P b c a | 8.298; 22.1664; 28.917 90; 90; 90 | 5318.9 | Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L. Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding Chem. Sci., 2017, 8, 2553 |
1545206 | CIF | C28 H33 N7 O9 S | P b c a | 16.9672; 16.6921; 21.14 90; 90; 90 | 5987.2 | Xu, Rui-Bin; Wang, Qi-Qiang; Ao, Yu-Fei; Li, Zhi-Yan; Huang, Zhi-Tang; Wang, De-Xian Anionic Head Containing Oxacalix[2]arene[2]triazines: Synthesis and Anion-π-Directed Self-Assembly in Solution and Solid State. Organic letters, 2017, 19, 738-741 |
1545266 | CIF | C44 H69 I Pb Ru Si2 | P b c a | 10.393; 22.3163; 39.5129 90; 90; 90 | 9164.4 | Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element Chem. Sci., 2017, 8, 3092 |
1545272 | CIF | C11 H23 Br4 Fe N2 | P b c a | 15.3952; 13.019; 38.748 90; 90; 90 | 7766.3 | Lu, Bing; Zhu, Fan; Sun, Hong-Mei; Shen, Qi Esterification of the Primary Benzylic C-H Bonds with Carboxylic Acids Catalyzed by Ionic Iron(III) Complexes Containing an Imidazolinium Cation. Organic letters, 2017, 19, 1132-1135 |
1545406 | CIF | C11 H10 N2 O5 | P b c a | 4.8748; 17.909; 23.571 90; 90; 90 | 2057.8 | Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes. Organic letters, 2017, 19, 1358-1361 |
1545411 | CIF | C22 H22 O6 | P b c a | 6.92797; 14.3084; 37.5013 90; 90; 90 | 3717.4 | Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté Flavonoids from Erythrina schliebenii. Journal of natural products, 2017, 80, 377-383 |
1545437 | CIF | C12 H12 Br N O3 | P b c a | 7.7792; 11.9136; 25.989 90; 90; 90 | 2408.6 | Zhang, Zhi-Qiang; Chen, Tao; Zhang, Fu-Min Copper-Assisted Direct Nitration of Cyclic Ketones with Ceric Ammonium Nitrate for the Synthesis of Tertiary α-Nitro-α-substituted Scaffolds. Organic letters, 2017, 19, 1124-1127 |
1545454 | CIF | C21.87 H14.18 Br N O S | P b c a | 8.5547; 20.782; 21.537 90; 90; 90 | 3828.9 | Prasad, Ch Durga; Sattar, Moh; Kumar, Sangit Transition-Metal-Free Selective Oxidative C(sp(3))-S/Se Coupling of Oxindoles, Tetralone, and Arylacetamides: Synthesis of Unsymmetrical Organochalcogenides. Organic letters, 2017, 19, 774-777 |
1545495 | CIF HKL Paper | C9 H9 N O S | P b c a | 7.3148; 8.403; 27.67 90; 90; 90 | 1700.8 | Ellouz, Mohamed; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T. 4-Methyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one IUCrData, 2017, 2, x170097 |
1545510 | CIF | C14 H13 N O3 S | P b c a | 9.2267; 9.9695; 28.6206 90; 90; 90 | 2632.68 | Liu, Chengwei; Liu, Yongmei; Liu, Ruzhang; Lalancette, Roger; Szostak, Roman; Szostak, Michal Palladium-Catalyzed Suzuki‒Miyaura Cross-Coupling of N-Mesylamides by N‒C Cleavage: Electronic Effect of the Mesyl Group Organic Letters, 2017 |
1545536 | CIF | C205.5 H135.5 Ca6.25 N32 O82.5 | P b c a | 34.859; 29.286; 51.432 90; 90; 90 | 52506 | Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers Chem. Sci., 2017, 8, 3741 |
1545546 | CIF | C12 H10 Cl2 N4 O Pb | P b c a | 14.0154; 12.5288; 16.4104 90; 90; 90 | 2881.6 | Southern, Scott Alexander; Errulat, Dylan; Frost, Jamie; Gabidullin, Bulat; Bryce, David L. FDHALO17: Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds Faraday Discuss., 2017 |
1545601 | CIF | C23 H28 Cl6 N7 Ni O2 Re | P b c a | 16.0287; 18.8615; 22.0793 90; 90; 90 | 6675.1 | Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K. Hexahalorhenate(iv) salts of metal oxazolidine nitroxides. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5250-5259 |
1545665 | CIF | C16 H13 B F2 O2 | P b c a | 8.2331; 13.1144; 25.5836 90; 90; 90 | 2762.3 | Tanaka, Mirai; Muraoka, Shunsuke; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Mizuno, Kazuhiko; Ikeda, Hiroshi Cooperative Effects of o- and m-Methyl Groups on the Intramolecular Charge-Transfer Emission Properties of Dibenzoylmethanatoboron Difluorides Photochem. Photobiol. Sci., 2017 |
1545689 | CIF | C42 H53 B F4 Ir N5 | P b c a | 20.444; 18.957; 20.8205 90; 90; 90 | 8069.1 | Perez, laura Rubio; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J. J.; Oro, Luis A. A Well-Defined NHC-Ir(III) Catalyst for the Silylation of Aromatic C‒H Bonds: Substrate Survey and Mechanistic Insights Chem. Sci., 2017 |
1545701 | CIF | C28 H26 Co4 F6 N4 O12 | P b c a | 19.215; 17.7981; 19.7244 90; 90; 90 | 6745.6 | Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation Chem. Sci., 2017 |
1545719 | CIF | C19 H12 N2 | P b c a | 8.759; 15.074; 21.337 90; 90; 90 | 2817 | Yousuf, Md; Adhikari, Susanta One-Pot Synthesis of 3-Substituted 2-Arylpyrrole in Aqueous Media via Addition-Annulation of Arylboronic Acid and Substituted Aliphatic Nitriles. Organic letters, 2017, 19, 2214-2217 |
1545752 | CIF | C4 H14 F2 Ga3 N2 O12 P3 | P b c a | 10.075; 18.506; 16.06 90; 90; 90 | 2994.4 | Thierry Loiseau; Francis Taulelle; Gerard Ferey Oxyfluorinated compounds with open structure XI. Interaction between the ULM-3 type framework and linear diamine templates of different chain lengths studied by X-ray diffraction and solid-state nuclear magnetic resonance characterization Microporous Materials, 1996, 5, 365-379 |
1545753 | CIF | C5 H16 F2 Ga3 N2 O12 P3 | P b c a | 10.156; 18.672; 16.367 90; 90; 90 | 3104 | Thierry Loiseau; Francis Taulelle; Gerard Ferey Oxyfluorinated compounds with open structure XI. Interaction between the ULM-3 type framework and linear diamine templates of different chain lengths studied by X-ray diffraction and solid-state nuclear magnetic resonance characterization Microporous Materials, 1996, 5, 365-379 |
1545801 | CIF | C8 H24 Br4 N2 Pb | P b c a | 8.3343; 8.2225; 27.6171 90; 90; 90 | 1892.57 | Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I. Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites Chem. Sci., 2017 |
1545990 | CIF | C61 H71 N3 O10 | P b c a | 17.819; 17.457; 34.337 90; 90; 90 | 10681 | Zhu, Kelong; Baggi, Giorgio; Vukotic, V. Nicholas; Loeb, Stephen J. Reversible mechanical protection: building a 3D “suit” around a T-shaped benzimidazole axle Chem. Sci., 2017, 8, 3898 |
1546115 | CIF | C20 H23 P S | P b c a | 10.9323; 14.5698; 21.091 90; 90; 90 | 3359.4 | Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine Validation of experimental charge-density refinement strategies: when do we overfit? IUCrJ, 2017, 4 |
1546116 | CIF | C20 H23 P S | P b c a | 10.932; 14.57; 21.091 90; 90; 90 | 3359.4 | Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine Validation of experimental charge-density refinement strategies: when do we overfit? IUCrJ, 2017, 4 |
1546124 | CIF | C24 H23 N3 O3 S | P b c a | 15.862; 15.219; 18.723 90; 90; 90 | 4519.8 | Xu, Wei; Wang, Gaonan; Sun, Ning; Liu, Yuanhong Gold-Catalyzed Formal [3 + 2] Cycloaddition of Ynamides with 4,5-Dihydro-1,2,4-oxadiazoles: Synthesis of Functionalized 4-Aminoimidazoles. Organic letters, 2017, 19, 3307-3310 |
1546133 | CIF | C18 H22 B10 N2 | P b c a | 12.0727; 12.564; 26.304 90; 90; 90 | 3989.8 | Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity Chem. Sci., 2017 |
1546148 | CIF | C22 H26 Mn N2 O6 Re | P b c a | 14.2637; 17.4799; 17.7014 90; 90; 90 | 4413.5 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546154 | CIF | C23 H26 Mn N3 O2 S | P b c a | 15.9799; 15.253; 17.7327 90; 90; 90 | 4322.2 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546157 | CIF | C22 H26 Mn N2 O8 Re | P b c a | 14.7377; 16.7073; 18.4223 90; 90; 90 | 4536.1 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546315 | CIF | C17 H13 F3 N2 O | P b c a | 15.766; 11.5833; 17.044 90; 90; 90 | 3112.6 | Qin, Shuang; Zheng, Yan; Zhang, Fa-Guang; Ma, Jun-An One-Pot Cascade Transformations of Zinc Trifluorodiazoethylide and α,β-Unsaturated Enones: Access to Trifluoromethylated Polycyclic Pyrazolines. Organic letters, 2017, 19, 3406-3409 |
1546316 | CIF | C17 H13 F3 N2 O | P b c a | 7.367; 19.893; 20.426 90; 90; 90 | 2993 | Qin, Shuang; Zheng, Yan; Zhang, Fa-Guang; Ma, Jun-An One-Pot Cascade Transformations of Zinc Trifluorodiazoethylide and α,β-Unsaturated Enones: Access to Trifluoromethylated Polycyclic Pyrazolines. Organic letters, 2017, 19, 3406-3409 |
1546390 | CIF | C16 B2 F8 K2 N8 | P b c a | 10.0487; 18.9832; 22.2949 90; 90; 90 | 4252.9 | Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates Chem. Sci., 2017 |
1546407 | CIF | C24 H12 Br4 N2 | P b c a | 10.5047; 14.9725; 27.75 90; 90; 90 | 4364.6 | Yuan, Yuan; Huang, Hongliang; Chen, Long; Chen, Yulan N,N′-Bicarbazole: A Versatile Building Block toward the Construction of Conjugated Porous Polymers for CO2 Capture and Dyes Adsorption Macromolecules, 2017 |
1546427 | CIF | C16 H26 Mn N4 O6 S2 | P b c a | 9.1341; 13.5068; 16.573 90; 90; 90 | 2044.7 | Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability Polyhedron, 2017, 134, 120-125 |
1546428 | CIF | C16 H32 Mn N4 O9 S2 | P b c a | 11.8868; 13.8324; 29.9847 90; 90; 90 | 4930.2 | Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability Polyhedron, 2017, 134, 120-125 |
1546432 | CIF | C19 H16 O4 | P b c a | 6.3646; 17.4661; 27.475 90; 90; 90 | 3054.3 | Borisov, Denis D.; Novikov, Roman A.; Eltysheva, Anna S.; Tkachev, Yaroslav V.; Tomilov, Yury V. Styrylmalonates as an Alternative to Donor‒Acceptor Cyclopropanes in the Reactions with Aldehydes: A Route to 5,6-Dihydropyran-2-ones Organic Letters, 2017 |
1546454 | CIF | C24 H27 B N4 | P b c a | 16.1393; 7.9763; 34.8942 90; 90; 90 | 4492 | Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2− Chem. Sci., 2017 |
1546464 | CIF | C13 H27 F2 N O Si | P b c a | 11.8766; 11.7308; 23.6382 90; 90; 90 | 3293.3 | Supranovich, Vyacheslav I.; Levin, Vitalij V.; Struchkova, Marina I.; Korlyukov, Alexander A.; Dilman, Alexander D. Radical Silyldifluoromethylation of Electron-Deficient Alkenes. Organic letters, 2017, 19, 3215-3218 |
1546517 | CIF | C17 H19 B F6 S | P b c a | 13.8754; 14.2531; 17.5717 90; 90; 90 | 3475.1 | Noto, Naoki; Koike, Takashi; Akita, Munetaka Metal-free di- and tri-fluoromethylation of alkenes realized by visible-light-induced perylene photoredox catalysis Chem. Sci., 2017 |
1546519 | CIF | C17 H11 F3 O3 | P b c a | 10.159; 9.48; 29.456 90; 90; 90 | 2836.8 | jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water Chem. Sci., 2017 |
1546528 | CIF | C21 H23 N O5 S | P b c a | 20.6097; 8.9853; 21.9169 90; 90; 90 | 4058.7 | Li, Xing-Shuo; Zhao, Liang-Liang; Wang, Xiao-Ke; Cao, Li−Li; Shi, Xiao-Qian; Zhang, Rui; Qi, Jing Enantioselective [3 + 2] Annulation of Enals with 2-Aminoacrylates Catalyzed by N-Heterocyclic Carbene Organic Letters, 2017 |
1546601 | CIF | C19 H20 O4 | P b c a | 12.864; 14.501; 16.567 90; 90; 90 | 3090.4 | Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core. Organic letters, 2017, 19, 1870-1873 |
1546626 | CIF | C30 H18 | P b c a | 7.56; 20.153; 23.743 90; 90; 90 | 3617 | Fujino, Shota; Yamaji, Minoru; Okamoto, Hideki; Mutai, Toshiki; Yoshikawa, Isao; Houjou, Hirohiko; Tani, Fumito Systematic investigations on fused π-system compounds of seven benzene rings prepared by photocyclization of diphenanthrylethenes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2017 |
1546658 | CIF HKL Paper | C12 H13 Cl2 N O2 | P b c a | 13.9866; 7.9972; 23.122 90; 90; 90 | 2586.3 | Mohamooda Sumaya, U.; Reuben Jonathan, D.; Era, Dravida Thendral; Gomathi, S.; Usha, G. (2,4-Dichlorophenyl)(3-hydroxypiperidin-1-yl)methanone: crystal structure and Hirshfeld analysis IUCrData, 2017, 2, x170813 |
1546673 | CIF HKL Paper | C22 H14 Cl N O2 S | P b c a | 9.2518; 10.3432; 38.5674 90; 90; 90 | 3690.64 | Bakhouch, Mohamed; El Yazidi, Mohamed; Al Houari, Ghali; Saadi, Mohamed; El Ammari, Lahcen 3'-(4-Chlorophenyl)-4'-phenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one IUCrData, 2017, 2, x170677 |
1546711 | CIF HKL | C11 H9 F3 N2 O3 S | P b c a | 7.37174; 12.5726; 26.4454 90; 90; 90 | 2451.01 | Abe, Ryosuke; Takase, Tsugiko; Oyama, Dai 2-(Pyridin-2-yl)pyridinium trifluoromethanesulfonate IUCrData, 2017, 2, x170689 |
1546759 | CIF | C40 H63 B Li N O3 | P b c a | 17.9286; 17.5371; 24.5618 90; 90; 90 | 7722.6 | Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor Chem. Sci., 2017 |
1546761 | CIF | C25 H39 B N2 | P b c a | 15.5756; 16.3913; 18.0729 90; 90; 90 | 4614.1 | Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor Chem. Sci., 2017 |
1546762 | CIF | C11 H14 N2 O5 S2 | P b c a | 9.411; 14.986; 19.855 90; 90; 90 | 2800.2 | Mizojiri, Ryo; Takami, Kazuaki; Ito, Tatsuya; Maeda, Hiroyuki; Yamano, Mitsuhisa; Kawamoto, Tetsuji Efficient and Stereoselective Syntheses of Isomerically Pure 4-Aminotetrahydro-2H-thiopyran 1-Oxide Derivatives Organic Process Research & Development, 2017, 21, 1034 |
1546808 | CIF | C68 H58 B2 F8 Fe4 N14 O16 | P b c a | 16.7707; 28.016; 29.924 90; 90; 90 | 14060 | Hossain, Sayed Muktar; Lakma, Avinash; Pradhan, Rabindra Nath; Demeshko, Serhiy; Singh, Akhilesh Kumar Valence directed binding mode of [2 × 2] iron grids of an unsymmetrical picolinic hydrazone based ligand Dalton Transactions, 2017, 46, 12612-12618 |
1546844 | CIF | C28 H24 Cl2 Mn3 N2 O11 | P b c a | 18.019; 7.671; 23.088 90; 90; 90 | 3191.3 | Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties CrystEngComm, 2017, 19, 5755-5763 |
1546848 | CIF | C16 H10 N6 O7 Zn | P b c a | 7.8558; 13.5861; 31.5006 90; 90; 90 | 3362 | Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties CrystEngComm, 2017, 19, 5864-5872 |
1546849 | CIF | C128 H80 Cu8 N48 O56 | P b c a | 7.838; 13.665; 30.941 90; 90; 90 | 3314 | Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties CrystEngComm, 2017, 19, 5864-5872 |
1546899 | CIF | C29 H36 B P | P b c a | 16.9924; 16.5973; 17.5163 90; 90; 90 | 4940.1 | Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates Dalton Transactions, 2017, 46, 12284-12292 |
1546904 | CIF | C27 H36 B P | P b c a | 17.3762; 15.4227; 17.5727 90; 90; 90 | 4709.3 | Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates Dalton Transactions, 2017, 46, 12284-12292 |
1546910 | CIF | C88 H82 Ag Cl3 F21 O5 P3 Pd3 S3 Sb2 | P b c a | 21.8782; 22.7145; 39.349 90; 90; 90 | 19554.6 | Maestri, Giovanni; WANG, Yanlan; Monfredini, Anna; Deyris, Pierre-Alexandre; Derat, Etienne; Malacria, Max; Blanchard, Florent All-Metal Aromatic Cationic Palladium Triangles Can Mimic Aromatic Donor Ligands towards Lewis Acidic Cations Chem. Sci., 2017 |
1546993 | CIF | C24 H18 O2 | P b c a | 10.697; 9.083; 35.93 90; 90; 90 | 3491 | Guo, Guiyu; Wan, Saihong; Si, Xiaodong; Jiang, Qijian; Jia, Yuanyuan; Yang, Luo; Zhou, Wang From Simple to Complex: Rhodium(III)-Catalyzed C-C Bond Cleavage and C-H Bond Functionalization for the Synthesis of 3a,8b-Dihydro-1H-cyclopenta[b]benzofuran-1-ones. Organic letters, 2017, 19, 5026-5029 |
1547033 | CIF | C16 H21 O4 | P b c a | 14.4398; 8.7058; 23.2532 90; 90; 90 | 2923.16 | Shao, Hui; Bao, Wen; Jing, Ze-Ran; Wang, Yun-Peng; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang Construction of the [6,5,7,5] Tetracyclic Core of Calyciphylline A Type Alkaloids via a Tandem Semipinacol Rearrangement/Nicholas Reaction. Organic letters, 2017, 19, 4648-4651 |
1547161 | CIF | C40 H40 N4 O4 | P b c a | 14.514; 10.865; 44.055 90; 90; 90 | 6947 | Li, Youpeng; Hong, Youhua; Guo, Jing; Huang, Xiaobo; Wei, Haipeng; Zhou, Jun; Qiu, Tiancheng; Wu, Jishan; Zeng, Zebing Bay- and Ortho-Octasubstituted Perylenes. Organic letters, 2017, 19, 5094-5097 |
1547162 | CIF | C40 H52 O8 | P b c a | 12.6363; 23.284; 25.125 90; 90; 90 | 7392.4 | Li, Youpeng; Hong, Youhua; Guo, Jing; Huang, Xiaobo; Wei, Haipeng; Zhou, Jun; Qiu, Tiancheng; Wu, Jishan; Zeng, Zebing Bay- and Ortho-Octasubstituted Perylenes. Organic letters, 2017, 19, 5094-5097 |
1547187 | CIF | C22 H20 Cl2 N4 O4 | P b c a | 7.5481; 21.3823; 27.862 90; 90; 90 | 4496.8 | Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents Chemistry Central Journal, 2013, 7, 123 |
1547195 | CIF | C14 H16 O4 | P b c a | 11.3435; 12.4428; 18.028 90; 90; 90 | 2544.6 | Smith, Brandon R.; Njardarson, Jon T. Double-Diels-Alder Approach to Maoecrystal V. Unexpected C-C Bond-Forming Fragmentations of the [2.2.2]-Bicyclic Core. Organic letters, 2017, 19, 5316-5319 |
1547213 | CIF | C16 H20 N12 O12 | P b c a | 12.7424; 17.4112; 21.0833 90; 90; 90 | 4677.6 | Gustavo Portalone Solid-phase molecular recognition of cytosine based on proton-transfer reaction. Part II. supramolecular architecture in the cocrystals of cytosine and its 5-Fluoroderivative with 5-Nitrouracil Chemistry Central Journal, 2011, 5, 51 |
1547236 | CIF | C18 H18 Cl Co F N O2 | P b c a | 13.6337; 14.573; 17.0961 90; 90; 90 | 3396.7 | Yu, Xiaolong; Chen, Kehao; Guo, Shan; Shi, Pengfei; Song, Chao; Zhu, Jin Direct Access to Cobaltacycles via C-H Activation: N-Chloroamide-Enabled Room-Temperature Synthesis of Heterocycles. Organic letters, 2017, 19, 5348-5351 |
1547238 | CIF | C29 H16 S2 | P b c a | 15.2176; 8.3864; 32.8506 90; 90; 90 | 4192.4 | Takase, Ko; Noguchi, Keiichi; Nakano, Koji Circularly Polarized Luminescence from Chiral Spiro Molecules: Synthesis and Optical Properties of 10,10'-Spirobi(indeno[1,2-b][1]benzothiophene) Derivatives. Organic letters, 2017, 19, 5082-5085 |
1547242 | CIF | C23 H33 F6 N3 P2 Ru | P b c a | 12.4248; 20.3497; 20.8058 90; 90; 90 | 5260.6 | Landman, Iris; Paulson, Erik; Rheingold, Arnold L.; Grotjahn, Douglas; Rothenberg, Gadi Designing bifunctional alkene isomerization catalysts using predictive modelling Catal. Sci. Technol., 2017 |
1547283 | CIF | Fe14.4 K14.4 O32 Ti1.6 | P b c a | 5.6343; 11.2778; 15.9493 90; 90; 90 | 1013.46 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
1547284 | CIF | Fe14.4 K14.4 O32 Ti1.6 | P b c a | 5.6351; 11.3134; 15.9647 90; 90; 90 | 1017.78 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
1547285 | CIF | Fe14.4 K14.4 O32 Ti1.6 | P b c a | 5.6443; 11.3472; 15.9872 90; 90; 90 | 1023.93 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
1547286 | CIF | Fe14.4 K14.4 O32 Ti1.6 | P b c a | 5.6581; 11.3735; 16.0267 90; 90; 90 | 1031.36 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
1547287 | CIF | Fe14.4 K14.4 O32 Ti1.6 | P b c a | 5.6848; 11.3764; 16.09 90; 90; 90 | 1040.6 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
1547429 | CIF | C11 H12 N4 O2 S | P b c a | 9.0785; 11.5265; 22.8581 90; 90; 90 | 2391.95 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547430 | CIF | C11 H12 N4 O2 S | P b c a | 9.0963; 11.5574; 22.8612 90; 90; 90 | 2403.39 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547431 | CIF | C11 H12 N4 O2 S | P b c a | 9.0885; 11.5482; 22.7898 90; 90; 90 | 2391.9 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547432 | CIF | C11 H12 N4 O2 S | P b c a | 9.0907; 11.5779; 22.8104 90; 90; 90 | 2400.82 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547433 | CIF | C11 H12 N4 O2 S | P b c a | 9.1074; 11.6193; 22.8456 90; 90; 90 | 2417.56 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547434 | CIF | C11 H12 N4 O2 S | P b c a | 9.1228; 11.6522; 22.8488 90; 90; 90 | 2428.8 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547435 | CIF | C11 H12 N4 O2 S | P b c a | 9.1349; 11.6868; 22.866 90; 90; 90 | 2441.12 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547436 | CIF | C11 H12 N4 O2 S | P b c a | 9.0823; 11.5422; 22.8439 90; 90; 90 | 2394.72 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547437 | CIF | C11 H12 N4 O2 S | P b c a | 9.0881; 11.5538; 22.8478 90; 90; 90 | 2399.07 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547438 | CIF | C11 H12 N4 O2 S | P b c a | 9.0992; 11.5635; 22.8525 90; 90; 90 | 2404.51 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547439 | CIF | C11 H12 N4 O2 S | P b c a | 9.0972; 11.5751; 22.8531 90; 90; 90 | 2406.45 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547440 | CIF | C11 H12 N4 O2 S | P b c a | 9.1048; 11.5802; 22.8576 90; 90; 90 | 2410 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547441 | CIF | C11 H12 N4 O2 S | P b c a | 9.1064; 11.5845; 22.8569 90; 90; 90 | 2411.25 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547442 | CIF | C11 H12 N4 O2 S | P b c a | 9.107; 11.5902; 22.8593 90; 90; 90 | 2412.84 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547443 | CIF | C11 H12 N4 O2 S | P b c a | 9.1066; 11.5983; 22.8627 90; 90; 90 | 2414.78 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547444 | CIF | C11 H12 N4 O2 S | P b c a | 9.1158; 11.6222; 22.8715 90; 90; 90 | 2423.14 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547445 | CIF | C11 H12 N4 O2 S | P b c a | 9.12; 11.6339; 22.8697 90; 90; 90 | 2426.5 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547446 | CIF | C11 H12 N4 O2 S | P b c a | 9.1237; 11.6442; 22.8738 90; 90; 90 | 2430.07 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547447 | CIF | C11 H12 N4 O2 S | P b c a | 9.128; 11.6579; 22.8759 90; 90; 90 | 2434.3 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547448 | CIF | C11 H12 N4 O2 S | P b c a | 9.1311; 11.6667; 22.88 90; 90; 90 | 2437.4 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547449 | CIF | C11 H12 N4 O2 S | P b c a | 9.1357; 11.6782; 22.8834 90; 90; 90 | 2441.4 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547450 | CIF | C11 H12 N4 O2 S | P b c a | 9.1405; 11.6923; 22.8838 90; 90; 90 | 2445.67 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547451 | CIF | C11 H12 N4 O2 S | P b c a | 9.1415; 11.7002; 22.8837 90; 90; 90 | 2447.58 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547452 | CIF | C11 H12 N4 O2 S | P b c a | 9.1445; 11.713; 22.8862 90; 90; 90 | 2451.33 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547462 | CIF | C29 H22 N2 O2 | P b c a | 19.4045; 7.14236; 30.4827 90; 90; 90 | 4224.72 | Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol., 2017 |
1547478 | CIF | C9 H18 Fe2 N5 O3 S2 | P b c a | 14.24; 14.263; 14.821 90; 90; 90 | 3010 | Hsieh, Chung-Hung; Ding, Shengda; Erdem, Ozlen F.; Crouthers, Danielle J.; Liu, Tianbiao; McCrory, Charles C. L.; Lubitz, Wolfgang; Popescu, Codrina V.; Reibenspies, Joseph H.; Hall, Michael B.; Darenbourg, Marcetta Y. Redox active iron nitrosyl units in proton reduction electrocatalysis Nature Communications, 2014, 5, 3684 |
1547511 | CIF | C23 H41 F3 N3 O3 S | P b c a | 17.684; 17.465; 33.978 90; 90; 90 | 10494 | Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications. Organic letters, 2017, 19, 5605-5608 |
1547516 | CIF | C44 H76 Dy Fe2 N4 Si4 | P b c a | 20.025; 19.663; 24.499 90; 90; 90 | 9647 | Dickie, Courtney M.; Laughlin, Alexander L.; Wofford, Joshua D.; Bhuvanesh, Nattamai; Nippe, Michael Transition Metal Redox Switches for Reversible “On/Off” and “Slow/Fast” Single-Molecule Magnet Behaviour in Dysprosium and Erbium bis-Diamidoferrocene Complexes Chem. Sci., 2017 |
1547517 | CIF | C44 H76 Er Fe2 N4 Si4 | P b c a | 19.7942; 19.8223; 24.603 90; 90; 90 | 9653.4 | Dickie, Courtney M.; Laughlin, Alexander L.; Wofford, Joshua D.; Bhuvanesh, Nattamai; Nippe, Michael Transition Metal Redox Switches for Reversible “On/Off” and “Slow/Fast” Single-Molecule Magnet Behaviour in Dysprosium and Erbium bis-Diamidoferrocene Complexes Chem. Sci., 2017 |
1547524 | CIF | C22.78 H30.48 Ag4 N1.7 Na6.96 Ni2 O35.69 S8 | P b c a | 25.054; 17.452; 26.296 90; 90; 90 | 11498 | Biltek, Scott R.; Reber, Arthur C.; Khanna, Shiv N.; Sen, Ayusman Complete Ag4M2(DMSA)4 (M = Ni, Pd, Pt, DMSA = Dimercaptosuccinic Acid) Cluster Series: Optical Properties, Stability, and Structural Characterization. The journal of physical chemistry. A, 2017, 121, 5324-5331 |
1547526 | CIF | C35 H31 F12 N3 O P2 | P b c a | 13.703; 22.2261; 23.066 90; 90; 90 | 7025.1 | Buckley, Laura E. R.; Coe, Benjamin J.; Rusanova, Daniela; Joshi, Vishwas D.; Sánchez, Sergio; Jirásek, Michael; Vávra, Jan; Khobragade, Dushant; Severa, Lukáš; Císařová, Ivana; Šaman, David; Pohl, Radek; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.; Teplý, Filip Tunable Chiral Second-Order Nonlinear Optical Chromophores Based on Helquat Dications. The journal of physical chemistry. A, 2017, 121, 5842-5855 |
1547678 | CIF | C16 H15 N O3 | P b c a | 11.8722; 8.4475; 26.7964 90; 90; 90 | 2687.42 | Chen, Rongxiang; Zhao, Yanwei; Fang, Shangwen; Long, Wenhao; Sun, Hongmei; Wan, Xiaobing Coupling Reaction of Cu-Based Carbene and Nitroso Radical: A Tandem Reaction To Construct Isoxazolines. Organic letters, 2017, 19, 5896-5899 |
1547688 | CIF | C25 H16 F6 O13 P4 Zr2.69 | P b c a | 23.9163; 13.5859; 26.106 90; 90; 90 | 8482.5 | Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system Nature Communications, 2017, 8, 15369 |
1547766 | CIF | C24 H20 Cl0 N2 O5 S | P b c a | 11.3088; 13.4942; 27.4368 90; 90; 90 | 4186.9 | Pal, Kuntal; Shukla, Rahul K.; Volla, Chandra M. R. Rh(II)-Catalyzed Denitrogenative Reaction of N-Sulfonyl-1,2,3-triazoles with Isatins for the Construction of Indigoids. Organic letters, 2017, 19, 5764-5767 |
1547801 | CIF | C11 H11 I O2 Se | P b c a | 12.931; 10.477; 18.151 90; 90; 90 | 2459.1 | Maity, Pintu; Paroi, Bidisha; Ranu, Brindaban C. Transition-Metal-Free Iodine Catalyzed Selenocayanation of Styrenyl Bromides and an Easy Access to Benzoselenophenes via Intermediacy of Styrenyl Selenocyanate. Organic letters, 2017, 19, 5748-5751 |
1547867 | CIF | B2 Ca Fe0.369 Mg0.631 O5 | P b c a | 36.2342; 11.182; 5.5197 90; 90; 90 | 2236.42 | Hayashi, A.; Momma, K.; Miyawaki, R.; Tanabe, M.; Kishi, S.; Kobayashi, S.; Kusachi, I. Kurchatovite from the Fuka mine, Okayama Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2017, 112, 159-165 |
1547907 | CIF | C22 H16 Cl F3 | P b c a | 10.6429; 17.14; 19.551 90; 90; 90 | 3566.5 | Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach. Organic letters, 2017, 19, 6212-6215 |
1547948 | CIF | C60 H78.56 As2 Fe N12 O19.28 | P b c a | 21.088; 21.0711; 29.6134 90; 90; 90 | 13158.6 | Stefania Tomyn; Sergii I. Shylin; Dmytro Bykov; Vadim Ksenofontov; Elzbieta Gumienna-Kontecka; Volodymyr Bon; Igor O. Fritsky Indefinitely stable iron(IV) cage complexes formed in water by air oxidation Nature Communications, 2017, 8, 14099 |
1548053 | CIF | C26 H17 N | P b c a | 8.2997; 33.2041; 12.4646 90; 90; 90 | 3435 | Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change. Chemical science, 2018, 9, 475-482 |
1548086 | CIF | C66 H150 K2 N10 Si6 U2 | P b c a | 13.8074; 23.2204; 26.3621 90; 90; 90 | 8452 | David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes Nature Communications, 2016, 7, 13773 |
1548087 | CIF | C66 H150 N10 Rb2 Si6 U2 | P b c a | 13.7527; 23.1023; 26.7606 90; 90; 90 | 8502.4 | David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes Nature Communications, 2016, 7, 13773 |
1548250 | CIF | C50.75 H48.5 Cl0.75 N | P b c a | 13.17; 34.623; 36.534 90; 90; 90 | 16659 | Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo Nitrogen-embedded buckybowl and its assembly with C60 Nature Communications, 2015, 6, 8215 |
1548448 | CIF | C25 H40 O5 Si | P b c a | 11.5577; 16.8408; 24.6521 90; 90; 90 | 4798.3 | Jing Gong; Huan Chen; Xiao-Yu Liu; Zhi-Xiu Wang; Wei Nie; Yong Qin Total synthesis of atropurpuran Nature Communications, 2016, 7, 12183 |
1548531 | CIF | C19 H46 Cl4 Eu N8 O Zn | P b c a | 16.9858; 18.4496; 18.8816 90; 90; 90 | 5917.1 | Jenks, Tyler C.; Bailey, Matthew D.; Hovey, Jessica L.; Fernando, Shanilke; Basnayake, Gihan; Cross, Michael E.; Li, Wen; Allen, Matthew J. First use of a divalent lanthanide for visible-light-promoted photoredox catalysis. Chemical science, 2018, 9, 1273-1278 |
1548600 | CIF | C42 H62 B2 N4 Se | P b c a | 17.8352; 16.7797; 28.365 90; 90; 90 | 8488.8 | Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity. Chemical science, 2018, 9, 2252-2260 |
1548601 | CIF | C54 H86 B2 N4 O3 S4 | P b c a | 16.39; 17.61; 38.28 90; 90; 90 | 11049 | Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity. Chemical science, 2018, 9, 2252-2260 |
1548634 | CIF | C19 H27 N O S | P b c a | 13.4779; 8.1983; 31.894 90; 90; 90 | 3524.2 | Shen, Xianwang; Gong, Honghong; Zhou, Yang; Zhao, Yucheng; Lin, Jun; Chen, Mao Unsymmetrical difunctionalization of cyclooctadiene under continuous flow conditions: expanding the scope of ring opening metathesis polymerization. Chemical science, 2018, 9, 1846-1853 |
1548655 | CIF | C89 H139 N4 Ni2 O4 | P b c a | 29.9305; 12.1234; 47.9429 90; 90; 90 | 17396.5 | Clarke, Ryan M.; Jeen, Tiffany; Rigo, Serena; Thompson, John R.; Kaake, Loren G.; Thomas, Fabrice; Storr, Tim Exploiting exciton coupling of ligand radical intervalence charge transfer transitions to tune NIR absorption. Chemical science, 2018, 9, 1610-1620 |
1548677 | CIF HKL Paper | C5 H3 Cl N2 O3 | P b c a | 5.9238; 9.735; 22.444 90; 90; 90 | 1294.3 | Shafer, Sarah K.; Lynch, Will E.; Padgett, Clifford W. 2-Chloro-4-nitropyridine <i>N</i>-oxide IUCrData, 2018, 3, x180016 |
1548685 | CIF HKL Paper | C10 H11 F3 N2 O | P b c a | 9.8152; 10.0783; 22.512 90; 90; 90 | 2226.9 | El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M. 1,1-Dimethyl-3-[4-(trifluoromethyl)phenyl]urea IUCrData, 2018, 3, x180040 |
1548790 | CIF HKL Paper | C13 H9 N O4 | P b c a | 11.517; 8.7431; 22.2595 90; 90; 90 | 2241.4 | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M. Methyl 5-(1-benzofuran-2-yl)isoxazole-3-carboxylate IUCrData, 2017, 2, x171820 |
1548791 | CIF HKL Paper | C19 H14 Br F N2 O | P b c a | 13.4521; 7.181; 34.204 90; 90; 90 | 3304.1 | Kalecik, Sedanur; Yavuz, Metin; Kavraz, Fatih; Eserci, Hande; Ağar, Erbil (<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-bromo-5-fluorophenol IUCrData, 2017, 2, x171708 |
1548827 | CIF | C27 H33 Cl3 Cr N7 O2 | P b c a | 18.2412; 14.5616; 23.1101 90; 90; 90 | 6138.53 | Nobbs, James D.; Tomov, Atanas K.; Young, Craig T.; White, Andrew J. P.; Britovsek, George J. P. From alternating to selective distributions in chromium-catalysed ethylene oligomerisation with asymmetric BIMA ligands Catalysis Science & Technology, 2018, 8, 1314 |
1548847 | CIF | C26 H22 F9 Li3 N12 O5 | P b c a | 19.704; 13.9512; 26.6779 90; 90; 90 | 7333.61 | Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z. Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes The Journal of Physical Chemistry C, 2018 |
1548870 | CIF | C33 H59 B Cl N5 O | P b c a | 15.6878; 12.3457; 36.8495 90; 90; 90 | 7136.9 | Hadlington, T. J.; Szilvási, T; Driess, M. Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO. Chemical science, 2018, 9, 2595-2600 |
1548900 | CIF | C16 H24 Co F6 N4 O6 S2 | P b c a | 9.312; 16.956; 29.498 90; 90; 90 | 4657.6 | Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes. Chemical science, 2018, 9, 2609-2619 |
1548997 | CIF | C25 H22 F3 N O3 S | P b c a | 16.8152; 15.0512; 17.5637 90; 90; 90 | 4445.18 | Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis. Chemical science, 2018, 9, 3276-3281 |
1549032 | CIF | C16 H16 N4 O | P b c a | 7.6447; 13.1287; 29.1836 90; 90; 90 | 2929.01 | Meisner, Quinton J.; Accardo, Joseph V.; Hu, Guoxiang; Clark, Ronald J.; Jiang, De-En; Zhu, Lei Fluorescence of Hydroxyphenyl-Substituted "Click" Triazoles. The journal of physical chemistry. A, 2018, 122, 2956-2973 |
1549112 | CIF | C18 H30 F4 I2 Ni P2 | P b c a | 14.0519; 14.4485; 24.3473 90; 90; 90 | 4943.2 | Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides. Chemical science, 2018, 9, 3767-3781 |
1549138 | CIF | C48 H52 O P2 | P b c a | 16.9466; 20.6986; 23.0289 90; 90; 90 | 8077.9 | Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination. Chemical science, 2018, 9, 4235-4243 |
1549185 | CIF | C7 H15 I3 N2 Pb | P b c a | 18.6221; 8.0211; 20.4046 90; 90; 90 | 3047.83 | Xue, Chen; Yao, Zhi-Yuan; Zhang, Jin; Liu, Wen-Long; Liu, Jian-Lan; Ren, Xiao-Ming Extra thermo- and water-stable one-dimensional organic-inorganic hybrid perovskite [N-methyldabconium]PbI<sub>3</sub> showing switchable dielectric behaviour, conductivity and bright yellow-green emission. Chemical communications (Cambridge, England), 2018, 54, 4321-4324 |
1549197 | CIF | C57 H74 N2 O8 Zn | P b c a | 13.9091; 26.4208; 28.6342 90; 90; 90 | 10522.8 | Ullmann, Steve; Schnorr, René; Laube, Christian; Abel, Bernd; Kersting, Berthold Photoluminescence properties of tetrahedral zinc(ii) complexes supported by calix[4]arene-based salicylaldiminato ligands. Dalton transactions (Cambridge, England : 2003), 2018, 47, 5801-5811 |
1549228 | CIF | C34 H50 B N2 O5 P | P b c a | 19.707; 17.611; 20.439 90; 90; 90 | 7094 | Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T. Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes. Chemical science, 2018, 9, 4338-4347 |
1549253 | CIF | C26 H49 F3 Ir N2 O2 P2 | P b c a | 14.6519; 15.5746; 27.2406 90; 90; 90 | 6216.2 | Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state. Chemical science, 2018, 9, 4325-4332 |
1549277 | CIF | C38 H37 B Cl4 F15 P | P b c a | 20.8497; 16.0333; 23.8954 90; 90; 90 | 7988 | Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard Solid state frustrated Lewis pair chemistry. Chemical science, 2018, 9, 4859-4865 |
1549287 | CIF | C93 H100 B2 Co F27 N8 O4 S | P b c a | 21.493; 22.3378; 38.715 90; 90; 90 | 18587 | Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S. Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity. Chemical science, 2018, 9, 4493-4499 |
1549314 | CIF | C58 H46 B F24 Na O9 | P b c a | 19.142; 24.665; 26.029 90; 90; 90 | 12289 | Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics. Chemical science, 2018, 9, 4785-4793 |
1549348 | CIF HKL Paper | C13 H15 N5 O2 S | P b c a | 18.2763; 7.5909; 20.0571 90; 90; 90 | 2782.59 | Choudhury, Manisha; Viswanathan, Vijayan; Timiri, Ajay Kumar; Sinha, Barij Nayan; Jeyaprakash, Venkatesan; Velmurugan, Devadasan 2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(4-methoxyphenyl)acetamide IUCrData, 2018, 3, x180600 |
1549378 | CIF | C20 H28 Cl2 N2 Pd | P b c a | 13.5058; 13.9638; 21.6147 90; 90; 90 | 4076.4 | Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations Polymer Chemistry, 2018, 9, 3088 |
1549431 | CIF | C14 H19 B11 Br6 Si | P b c a | 18.5845; 14.7047; 19.673 90; 90; 90 | 5376.23 | Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion. Chemical science, 2018, 9, 5600-5607 |
1549553 | CIF | C4 H13 Cu O8 P | P b c a | 10.0717; 9.612; 21.809 90; 90; 90 | 2111.3 | Köferstein, Roberto; Arnold, Michael; Robl, Christian Crystal Structure and Characterization of Two Layered Copper(II) Coordination Polymers with Anions of 3-Phosphonopropionic Acid and (RS )-2-Phosphonobutyric Acid' Zeitschrift für anorganische und allgemeine Chemie, 2018, 644, 205 |
1549554 | CIF | C3 H9 Cu O7 P | P b c a | 8.1247; 9.19; 21.023 90; 90; 90 | 1569.7 | Köferstein, Roberto; Arnold, Michael; Robl, Christian Crystal Structure and Characterization of Two Layered Copper(II) Coordination Polymers with Anions of 3-Phosphonopropionic Acid and (RS )-2-Phosphonobutyric Acid' Zeitschrift für anorganische und allgemeine Chemie, 2018, 644, 205 |
1549606 | CIF HKL Paper | C28 H30 Mo N2 O4 P2 | P b c a | 15.634; 17.716; 21.661 90; 90; 90 | 5999 | Höhne, Martha; Gongoll, Marc; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe Tetracarbonyl[<i>N</i>-(diphenylphosphanyl-κ<i>P</i>)-<i>N</i>,<i>N</i>'-diisopropyl-<i>P</i>-phenylphosphorus diamide-κ<i>P</i>]molybdenum(0) with an unknown solvent IUCrData, 2018, 3, x180846 |
1549631 | CIF | C47 H81 B Fe N3 P3 Si2 | P b c a | 11.3085; 24.2407; 37.5101 90; 90; 90 | 10282.5 | Deegan, Meaghan M.; Peters, Jonas C. Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes. Chemical science, 2018, 9, 6264-6270 |
1549700 | CIF | C252 H300 N20 | P b c a | 30.1086; 31.9945; 46.8128 90; 90; 90 | 45095.2 | Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins Chemical Science, 2018 |
1549704 | CIF | C14 H26 N O4 Sb | P b c a | 8.0941; 43.971; 8.3622 90; 90; 90 | 2976.2 | Moaven, Shiva; Yu, Jingze; Vega, Maythe; Unruh, Daniel K.; Cozzolino, Anthony F. Self-assembled reversed bilayers directed by pnictogen bonding to form vesicles in solution. Chemical communications (Cambridge, England), 2018, 54, 8849-8852 |
1549714 | CIF HKL Paper | C22 H15 N O2 S | P b c a | 9.265; 10.3523; 36.0698 90; 90; 90 | 3459.6 | Bakhouch, Mohamed; El Yazidi, Mohamed; Al Houari, Ghali; Saadi, Mohamed; El Ammari, Lahcen 3',4'-Diphenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one IUCrData, 2018, 3, x181019 |
1549775 | CIF | C25 H15 N S2 | P b c a | 18.7793; 7.4521; 50.3987 90; 90; 90 | 7053.06 | Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds. Chemical science, 2018, 9, 7556-7561 |
1549795 | CIF HKL Paper | C15 H22 I N | P b c a | 15.631; 11.614; 16.976 90; 90; 90 | 3082 | da Costa Duarte, Rodrigo; Kommers Reimann, Louise; Severo Rodembusch, Fabiano; Gustavo Teixeira Alves Duarte, Luís 1-Butyl-2,3,3-trimethylindol-1-ium iodide IUCrData, 2018, 3, x181130 |
1549799 | CIF | C64 H53 Cl6 Fe3 N11 | P b c a | 18.9606; 18.7387; 34.1557 90; 90; 90 | 12135.4 | Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo. Chemical science, 2018, 9, 7843-7858 |
1549802 | CIF | C64 H53 Br6 Fe3 N11 | P b c a | 19.0269; 18.8487; 35.2474 90; 90; 90 | 12640.9 | Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo. Chemical science, 2018, 9, 7843-7858 |
1549858 | CIF | C23 H26 Ir N O3 | P b c a | 16.13031; 14.54437; 17.33703 90; 90; 90 | 4067.36 | Pèrez-Miqueo, Jorge; San Nacianceno, Virginia; Urquiola, F. Borja; Freixa, Zoraida Revisiting the iridacycle-catalyzed hydrosilylation of enolizable imines Catalysis Science & Technology, 2018, 8, 6316 |
1549876 | CIF | C13 H14 Cl N O3 | P b c a | 9.1082; 10.2539; 25.5319 90; 90; 90 | 2384.5 | Glassner, Mathias; Verbraeken, Bart; Jerca, Valentin Victor; Van Hecke, Kristof; Tsanaktsidis, John; Hoogenboom, Richard Poly(2-oxazoline)s with pendant cubane groups Polymer Chemistry, 2018, 9, 4840 |
1550042 | CIF | C64 H80 Cl12 N8 Zn2 | P b c a | 21.712; 13.037; 54.215 90; 90; 90 | 15346 | Sánchez-Roa, David; Santiago, Tomás G; Fernández-Millán, Maria; Cuenca, Tomás; Palma, Pilar; Cámpora, Juan; Mosquera, Marta E. G. Interaction of an imidazolium-2-amidinate (NHC-CDI) zwitterion with zinc dichloride in dichloromethane: role as ligands and C-Cl activation promoters. Chemical communications (Cambridge, England), 2018, 54, 12586-12589 |
1550095 | CIF | C22 H14 N2 O | P b c a | 8.23403; 10.88902; 34.457 90; 90; 90 | 3089.43 | Sirbu, Dumitru; Wales, Rebecca; Geary, David R.; Waddell, Paul G.; Benniston, Andrew C. Rosindone revisited: a computational and photophysical study of 7-phenylbenzo[a]phenazine-5(7H)-one (PBP). Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2019, 18, 140-147 |
1550189 | CIF | C20 H27 B F4 Fe N2 Ni O S Se | P b c a | 16.309; 11.4239; 24.8441 90; 90; 90 | 4628.8 | Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y. Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites Chemical Science, 2019 |
1550190 | CIF | C20 H27 B0.78 Cl0.22 F3.13 Fe N2 Ni O S2 | P b c a | 16.2504; 11.3127; 24.8851 90; 90; 90 | 4574.8 | Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y. Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites Chemical Science, 2019 |
1550205 | CIF | C22 H38 N4 O2 | P b c a | 8.9115; 16.2345; 32.4328 90; 90; 90 | 4692.17 | Dawn, Arnab; Mirzamani, Marzieh; Jones, Christopher D.; Yufit, Dmitry S.; Qian, Shuo; Steed, Jonathan W.; Kumari, Harshita Investigating the effect of supramolecular gel phase crystallization on gel nucleation. Soft matter, 2018, 14, 9489-9497 |
1550247 | CIF | C10 H16 Hg2 I4 N4 S2 | P b c a | 10.1454; 15.0815; 15.2995 90; 90; 90 | 2340.94 | Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach. Metallomics : integrated biometal science, 2019, 11, 213-225 |
1550378 | CIF | C27 H23 N O2 | P b c a | 37.682; 6.9971; 15.2009 90; 90; 90 | 4007.9 | Zhang, Yuchen; Wu, Wangteng; Fu, Chunling; Huang, Xin; Ma, Shengming Benzene Construction via Pd-catalyzed Cyclization of 2,7-Alkadiynylic Carbonates in the Presence of Alkynes Chemical Science, 2019 |
1550441 | CIF | C7 H15 I N2 O | P b c a | 13.4725; 9.8551; 32.7259 90; 90; 90 | 4345.11 | Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151 |
1550473 | CIF | C46 H68 Al2 N2 | P b c a | 17.2467; 13.0572; 18.6141 90; 90; 90 | 4191.8 | Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism Chemical Science, 2019 |
1550496 | CIF | C19 H16 Au Cl N O P | P b c a | 12.7694; 7.3282; 38.4557 90; 90; 90 | 3598.56 | Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes Chemical Science, 2019 |
1550538 | CIF | C30 H23 F6 Ir N5 P | P b c a | 10.9356; 15.8786; 33.0214 90; 90; 90 | 5733.9 | Chen, Mu-He; Zheng, Yue; Cai, Xiong-Jie; zhang, hang; Wang, Fang-Xin; Tan, Caiping; Chen, Wen-Hua; Ji, Liangnian; Mao, Zong-Wan Inhibition of Autophagic Flux by Cyclometalated Iridium(III) Complexes through Anion Transportation Chemical Science, 2019 |
1550545 | CIF | C60 H70 Mg2 N4 | P b c a | 15.3389; 14.0741; 23.7894 90; 90; 90 | 5135.7 | Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis Chemical Science, 2019 |
1550563 | CIF | C33 H59 Cu3.12 Li0.88 N3 | P b c a | 11.3883; 18.8747; 31.9081 90; 90; 90 | 6858.7 | Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu A new route to the efficient metalation of unfunctionalized aromatics Chemical Science, 2019 |
1550565 | CIF | C30 H46 Cu2 Li2 N2 | P b c a | 8.6647; 16.1964; 21.7364 90; 90; 90 | 3050.42 | Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu A new route to the efficient metalation of unfunctionalized aromatics Chemical Science, 2019 |
1550587 | CIF HKL Paper | C27 H17 Cl F N3 O2 S | P b c a | 7.9243; 23.7112; 24.927 90; 90; 90 | 4683.7 | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M. 3-{2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazol-4-yl}-3,8a-dihydro-2<i>H</i>-chromen-2-one IUCrData, 2019, 4, x190170 |
1550633 | CIF | C12 H12 O2 S | P b c a | 16.151; 7.314; 19.036 90; 90; 90 | 2249 | Zhou, Hui; Zhang, Rui; zhang, hui; Mu, Sen; Lu, Xiaobing Organocatalytic Cycloaddition of Carbonyl Sulfide with Propargylic Alcohols to 1,3-Oxathiolan-2-ones Catalysis Science & Technology, 2019 |
1550676 | CIF | C18 H26 F3 N O3 S | P b c a | 8.2322; 16.009; 30.617 90; 90; 90 | 4035 | Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor Chemical Science, 2019 |
1550696 | CIF | C25 H22 I N3 O S2 | P b c a | 13.4772; 20.032; 20.904 90; 90; 90 | 5643.6 | Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe Chemical Science, 2019 |
1550770 | CIF | C30 H18 Br2 N2 | P b c a | 7.0412; 22.373; 29.798 90; 90; 90 | 4694.2 | Colin-Molina, Abraham; Jellen, Marcus J.; García-Quezada, Eduardo; Cifuentes-Quintal, Miguel Eduardo; Murillo, Fernando; Barroso, Jorge; Pérez-Estrada, Salvador; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio Origin of the isotropic motion in crystalline molecular rotors with carbazole stators Chemical Science, 2019 |
1550868 | CIF | C18 H11 Br2 N | P b c a | 14.9529; 8.173; 24.26 90; 90; 90 | 2964.8 | Yuan, Jie; Chen, Run-Feng; Tang, Xingxing; Tao, Ye; Xu, Shen; Jin, Lu; Chen, Cailin; Zhou, Xinhui; Zheng, Chao; Huang, Wei Direct Populating Triplet Excited States through Singlet-Triplet Transition for Visible-Light Excitable Organic Afterglow Chemical Science, 2019 |
1550895 | CIF | C55 H63 Cl N2 O12 Pd | P b c a | 22.26; 22.2598; 25.7392 90; 90; 90 | 12753.9 | Ma, Xin; Hu, Xiaoqiang; Zhang, Yixin; Mu, Hongliang; Cui, Lei; Jian, Zhongbao Preparation and in situ chain-end-functionalization of branched ethylene oligomers by monosubstituted α-diimine nickel catalysts Polymer Chemistry, 2019, 10, 2596 |
1550961 | CIF | C19 H17 N3 O4 | P b c a | 10.5086; 12.016; 27.2839 90; 90; 90 | 3445.2 | Cuadros, Sara; Horwitz, Matthew; Schweitzer-Chaput, Bertrand; Melchiorre, Paolo A visible-light mediated three-component radical process using dithiocarbamate anion catalysis Chemical Science, 2019 |
1550998 | CIF | C20 H24 Br2 S2 | P b c a | 10.1337; 12.5991; 30.3 90; 90; 90 | 3868.6 | Chaudhuri, Saikat; Mohanan, Manikandan; Willems, Andreas V.; Bertke, Jeffery A.; Gavvalapalli , Nagarjuna β-Strand Inspired Bifacial π-Conjugated Polymers Chemical Science, 2019 |
1550999 | CIF | C16 H20 Br2 S2 | P b c a | 12.542; 9.1015; 28.8047 90; 90; 90 | 3288.1 | Chaudhuri, Saikat; Mohanan, Manikandan; Willems, Andreas V.; Bertke, Jeffery A.; Gavvalapalli , Nagarjuna β-Strand Inspired Bifacial π-Conjugated Polymers Chemical Science, 2019 |
1551020 | CIF HKL Paper | C12 H12 O3 | P b c a | 10.8313; 7.618; 24.1463 90; 90; 90 | 1992.38 | Lough, Alan J.; Hill, Jarvis; Tam, William 1-[(1<i>R</i>*,2<i>R</i>*)-1,2-Dihydroxy-1,2-dihydronaphthalen-1-yl]ethan-1-one IUCrData, 2019, 4, x190609 |
1551151 | CIF | C44 H71 B Mg N4 O2 | P b c a | 21.3924; 18.277; 22.9162 90; 90; 90 | 8959.98 | Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F. Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process Chemical Science, 2019 |
1551154 | CIF | C46 H68 B Mg N3 O2 | P b c a | 20.5267; 19.7717; 21.7073 90; 90; 90 | 8809.86 | Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F. Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process Chemical Science, 2019 |
1551491 | CIF | C30 H20 | P b c a | 9.8337; 11.6263; 35.5613 90; 90; 90 | 4065.71 | Paul J. Evans; Evan R. Darzi; Ramesh Jasti Efficient room-temperature synthesis of a highly strained carbon nanohoop fragment of buckminsterfullerene Nature Chemistry, 2014, 6, 404-408 |
1551494 | CIF | C15 H12 N2 O2 | P b c a | 16.5065; 7.0663; 21.0475 90; 90; 90 | 2455 | Rodriguez, Jessica; Zeineddine, Abdallah; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Saffon, Nathalie; Amgoune, Abderrahmane; Bourissou, Didier Catalytic Au(I)/Au(III) Arylation with the Hemilabile MeDalphos Ligand: Unusual Selectivity for Electron-Rich Iodoarenes and Efficient Application to Indoles Chemical Science, 2019 |
1551599 | CIF | C10 H9 Br N4 O | P b c a | 23.6829; 7.5558; 24.1777 90; 90; 90 | 4326.4 | HWANG, Long-Chih; CHUANG, Chung-Lin; SU, Chun-Wei; LEE, Gene-Hsiang Packing of Two Independent Molecules: 3-Amino-2-benzyl-6-bromo-1,2,4-triazin-5(2<i>H</i>)-one X-ray Structure Analysis Online, 2016, 32, 33 |
1551644 | CIF | C10 H13 Cl F N O2 | P b c a | 24.679; 9.873; 9.253 90; 90; 90 | 2254.5 | Guillon, Jean; Pinaud, Noël; Marchivie, Mathieu; Ronga, Luisa; Benazzouz, Abdelhamid; Moreau, Stéphane Crystal Structure of a Fluoro Analogue of 3,4-(Methylenedioxy)amphetamine X-ray Structure Analysis Online, 2015, 31, 23 |
1551711 | CIF | C18 H18 O4 | P b c a | 36.993; 10.1567; 8.3441 90; 90; 90 | 3135.1 | RANGANATHA, V. Lakshmi; VINUTHA, N.; KHANUM, Shaukath A.; ANTHAL, Sumati; REVANNASIDDAIAH, D.; Rajnikant,; GUPTA, Vivek K. Crystal Structure of (4-Benzoyl-2-methyl-phenoxy)-acetic acid ethyl ester X-ray Structure Analysis Online, 2012, 28, 27 |
1551755 | CIF | C9 H8 Cl3 N O | P b c a | 5.564; 14.832; 26.399 90; 90; 90 | 2178.6 | YANG, Hai-Yu; LI, Yu-Feng; LIU, Shan; FENG, Mei-Li; ZHU, Hong-Jun Crystal Structure of 3-Chloro-4-(3,3-dichloroallyloxy)benzenamine X-ray Structure Analysis Online, 2010, 26, 51 |
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