Crystallography Open Database

Result : There are 14163 entries in the selection

You can download the COD numbers of the selection as a text file

We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz, or .txz archive.

We are displaying first 300 results.

Searching space group like 'P b c a'

COD ID: 1000047
CIF file Formula: - Mg2 O6 Si2 -
Comments: 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) 22 (1995) 300-310
Space group: P b c a
Cell volume: 833.4
Cell parameters: 18.25099; 8.814; 5.181; 90; 90; 90;  

COD ID: 1000079
CIF file Formula: - H K O6 P V -
Comments: 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 25 (1988) 599-607
Space group: P b c a
Cell volume: 1050.3
Cell parameters: 6.755; 9.1026; 17.0808; 90; 90; 90;  

COD ID: 1000080
CIF file Formula: - H5 N O6 P V -
Comments: 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 25 (1988) 599-607
Space group: P b c a
Cell volume: 1117.2
Cell parameters: 6.8064; 9.2567; 17.732; 90; 90; 90;  

COD ID: 1000081
CIF file Formula: - H O6 P Rb V -
Comments: 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 25 (1988) 599-607
Space group: P b c a
Cell volume: 1116.9
Cell parameters: 6.8182; 9.291; 17.631; 90; 90; 90;  

COD ID: 1000099
CIF file Formula: - Cl Co H4 O3 P -
Comments: 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-) 47 (1991) 1152-1155
Space group: P b c a
Cell volume: 920
Cell parameters: 7.416; 13.082; 9.483; 90; 90; 90;  

COD ID: 1000133
CIF file Formula: - H4 N2 O8 Pd -
Comments: Laligant, Y; Ferey, G; Le Bail, A Crystal structure of Pd (N O3)2 (H2 O)2 Materials Research Bulletin 26 (1991) 269-275
Space group: P b c a
Cell volume: 622.2
Cell parameters: 5.0036; 10.6073; 11.7223; 90; 90; 90;  

COD ID: 1000282
CIF file Formula: - H8 Mo4 N2 O13 -
Comments: 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 26 (1989) 593-601
Space group: P b c a
Cell volume: 2238.8
Cell parameters: 7.647; 15.414; 18.994; 90; 90; 90;  

COD ID: 1000362
CIF file Formula: - C Eu F3 Na2 O3 -
Comments: Mercier, N; Leblanc, M A new rare earth fluorocarbonate, Na~2~Eu(CO~3~)F~3~ Acta Crystallographica C (39,1983-) 50 (1994) 1864-1865
Space group: P b c a
Cell volume: 1001.3
Cell parameters: 6.596; 10.774; 14.09; 90; 90; 90;  

COD ID: 1000505
CIF file Formula: - Ga H4 O6 P -
Comments: 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 1 (1998) 667-674
Space group: P b c a
Cell volume: 835.2
Cell parameters: 9.926; 8.6189; 9.7622; 90; 90; 90;  

COD ID: 1001019
CIF file Formula: - Ca Cl H4 N O5 -
Comments: Leclaire, A; Borel, M M Identification et structure du chlorure nitrate de calcium dihydrate Acta Crystallographica B (24,1968-38,1982) 34 (1978) 902-904
Space group: P b c a
Cell volume: 1196.4
Cell parameters: 9.052; 6.676; 19.797; 90; 90; 90;  

COD ID: 1001135
CIF file Formula: - Cd4 I3 P2 -
Comments: Rebbah, A; Yazbeck, J; Deschanvres, A Structure de Cd~4~ P~2~ I~3~ Acta Crystallographica B (24,1968-38,1982) 36 (1980) 1747-1749
Space group: P b c a
Cell volume: 2075.6
Cell parameters: 12.89; 12.725; 12.654; 90; 90; 90;  

COD ID: 1001644
CIF file Formula: - K3 Mo4 O24 P5 -
Comments: 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 114 (1995) 61-65
Space group: P b c a
Cell volume: 3946.5
Cell parameters: 9.676; 14.366; 28.39099; 90; 90; 90;  

COD ID: 1001813
CIF file Formula: - K2 O15 P4 V2 -
Comments: 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 132 (1997) 41-46
Space group: P b c a
Cell volume: 2449.1
Cell parameters: 22.181; 11.564; 9.548; 90; 90; 90;  

COD ID: 1004016
CIF file Formula: - H O4 P Sr -
Comments: 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 152(2) (2000) 428-434
Space group: P b c a
Cell volume: 1361.31
Cell parameters: 8.131; 9.258; 18.084; 90; 90; 90;  

COD ID: 1004151
CIF file Formula: - B5 O8 Tl -
Comments: 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 136 (1998) 216-220
Space group: P b c a
Cell volume: 1327.8
Cell parameters: 7.557; 11.925; 14.734; 90; 90; 90;  

COD ID: 1005022
CIF file Formula: - Ce3 Cl6 N -
Comments: 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. 235 (1996) 133-134
Space group: P b c a
Cell volume: 1987.9
Cell parameters: 10.708; 11.233; 16.52699; 90; 90; 90;  

COD ID: 1005025
CIF file Formula: - Ce3 Cl6 N -
Comments: 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. 206 (1994) 95-101
Space group: P b c a
Cell volume: 1987.9
Cell parameters: 10.708; 11.233; 16.52699; 90; 90; 90;  

COD ID: 1007005
CIF file Formula: - H4 Li2 N O9 P3 -
Comments: 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) 32 (1976) 2440-2443
Space group: P b c a
Cell volume: 1677.1
Cell parameters: 12.199; 13.047; 10.537; 90; 90; 90;  

COD ID: 1007031
CIF file Formula: - Cd O6 P2 -
Comments: 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) 97 (1974) 481-484
Space group: P b c a
Cell volume: 926.2
Cell parameters: 9.607; 13.7; 7.037; 90; 90; 90;  

COD ID: 1007100
CIF file Formula: - Ag4 O7 V2 -
Comments: 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-) 39 (1983) 1608-1610
Space group: P b c a
Cell volume: 2853.9
Cell parameters: 18.82; 10.89; 13.925; 90; 90; 90;  

COD ID: 1008059
CIF file Formula: - F3 K N O3 Sb -
Comments: 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 17 (1981) 215-224
Space group: P b c a
Cell volume: 1125.1
Cell parameters: 7.911; 7.861; 18.092; 90; 90; 90;  

COD ID: 1008120
CIF file Formula: - F3 H2 N Na O4 Sb -
Comments: 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 17 (1981) 305-315
Space group: P b c a
Cell volume: 1183.9
Cell parameters: 18.18; 11.505; 5.66; 90; 90; 90;  

COD ID: 1008177
CIF file Formula: - C2 H4 Cl Cu N2 S2 -
Comments: 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-) 164 (1983) 181-188
Space group: P b c a
Cell volume: 1231
Cell parameters: 15.576; 6.923; 11.416; 90; 90; 90;  

COD ID: 1008316
CIF file Formula: - Ce I S -
Comments: Beck, H P; Strobel, C Zur Hochdruckpolymorphie der Seltenerdsulfidiodide Ln S I Zeitschrift fuer Anorganische und Allgemeine Chemie 535 (1986) 229-239
Space group: P b c a
Cell volume: 741.6
Cell parameters: 7.33; 7.05; 14.35; 90; 90; 90;  

COD ID: 1010810
CIF file Formula: - Cd N6 -
Comments: Bassiere, M Sur la structure de l'azoture de cadmium. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 204 (1937) 1573-1574
Space group: P b c a
Cell volume: 810.3
Cell parameters: 7.82; 6.46; 16.04; 90; 90; 90;  

COD ID: 1011018
CIF file Formula: - Fe0.155 Mg0.845 O3 Si -
Comments: Takané, Katsutashi Crystal Structure of Bronzite from Chichi-jiama in the Bonin Islands Proceedings of the Imperial Academy (Tokyo) 8(7) (1932) 308-311
Space group: P b c a
Cell volume: 833.2
Cell parameters: 18.15999; 8.84; 5.19; 90; 90; 90;  

COD ID: 1011238
CIF file Formula: - Fe0.3 Mg0.7 O3 Si -
Comments: Warren, B E; Modell, D I The Structure of Enstatite, Mg Si O3 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 75 (1930) 1-14
Space group: P b c a
Cell volume: 838.5
Cell parameters: 18.2; 8.86; 5.2; 90; 90; 90;  

COD ID: 1011268
CIF file Formula: - B Be2 H O4 -
Comments: Zachariasen, W H The crystalline structure of Hambergite Be2 B O3 (O H) Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 76 (1931) 289-302
Space group: P b c a
Cell volume: 527
Cell parameters: 9.75; 12.204; 4.429; 90; 90; 90;  

COD ID: 1100120
CIF file Formula: - C2 Ba2 Co F2 O6 -
Comments: 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 4(4) (2002) 503-506
Space group: P b c a
Cell volume: 686.68
Cell parameters: 6.6226; 11.494; 9.021; 90; 90; 90;  

COD ID: 1100165
CIF file Formula: - C10 H18 N8 O8 Zn -
Comments: Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas Polyhedron 23 (2004) 743-747
Space group: P b c a
Cell volume: 1710.5
Cell parameters: 7.543; 13.1384; 17.2599; 90; 90; 90;  

COD ID: 1100204
CIF file Formula: - C6 H17 Cl N P -
Comments: 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 626(3) (2000) 775-783
Space group: P b c a
Cell volume: 1904.97
Cell parameters: 12.736; 11.488; 13.02; 90; 90; 90;  

COD ID: 1100283
CIF file Formula: - C23 H29 Cl N4 O3 -
Comments: Harms, K.; Sheldrick, G. M.; Schul, W.; Tietze, L. F. Structure of an indolochinolizine derivative Acta Crystallographica, Section C: Crystal Structure Communications 42(11) (1986) 1665-1667
Space group: P b c a
Cell volume: 4354.35
Cell parameters: 14.462; 17.405; 17.299; 90; 90; 90;  

COD ID: 1100285
CIF file Formula: - C12 H18 O4 S -
Comments: Harms, K.; Sheldrick, G. M.; Reichert, U.; Tietze, L. F. Structure of a cycloheptenone derivative Acta Crystallographica, Section C: Crystal Structure Communications 42(11) (1986) 1662-1663
Space group: P b c a
Cell volume: 2587.42
Cell parameters: 8.745; 33.451; 8.845; 90; 90; 90;  

COD ID: 1100365
CIF file Formula: - C14 H29 N3 O4 -
Comments: Reetz, Manfred T.; Bingel, Carsten; Harms, Klaus Structure of carbanions having carbocations as counterions Journal of the Chemical Society, Chemical Communications (issue 20) (1993) 1558-1560
Space group: P b c a
Cell volume: 3412.37
Cell parameters: 14.715; 15.43; 15.029; 90; 90; 90;  

COD ID: 1100378
CIF file Formula: - C13 H15 I O3 -
Comments: Hoffmann, Reinhard W.; Stürmer, Rainer; Harms, Klaus A phenyl-assisted asymmetric iodolactonisation reaction Tetrahedron Letters 35(34) (1994) 6263-6266
Space group: P b c a
Cell volume: 2693.24
Cell parameters: 8.01; 14.74; 22.811; 90; 90; 90;  

COD ID: 1100391
CIF file Formula: - C8 H14 Cl2 N P Ti -
Comments: 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 620(10) (1994) 1741-1749
Space group: P b c a
Cell volume: 2600.98
Cell parameters: 12.026; 12.242; 17.667; 90; 90; 90;  

COD ID: 1100392
CIF file Formula: - C6 H18 Cl6 N2 P2 Ti2 -
Comments: 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 620(10) (1994) 1741-1749
Space group: P b c a
Cell volume: 2016.1
Cell parameters: 11.405; 11.122; 15.894; 90; 90; 90;  

COD ID: 1100399
CIF file Formula: - C22 H40 Li2 N2 O4 S2 -
Comments: 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 34(4) (1995) 487-489
Space group: P b c a
Cell volume: 5787.43
Cell parameters: 12.265; 14.544; 32.444; 90; 90; 90;  

COD ID: 1100447
CIF file Formula: - C27 H23 Cl I P -
Comments: 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(6) () 772-772
Space group: P b c a
Cell volume: 4972.73
Cell parameters: 10.4707; 17.0026; 27.9321; 90; 90; 90;  

COD ID: 1100473
CIF file Formula: - C12 H30 B2 Cl4 N2 P2 -
Comments: 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 622(10) (1996) 1692-1700
Space group: P b c a
Cell volume: 2125.44
Cell parameters: 12.695; 11.387; 14.703; 90; 90; 90;  

COD ID: 1100474
CIF file Formula: - C12 H30 B3 Cl7 N2 P2 -
Comments: 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 622(10) (1996) 1692-1700
Space group: P b c a
Cell volume: 5112.62
Cell parameters: 13.093; 16.198; 24.107; 90; 90; 90;  

COD ID: 1100486
CIF file Formula: - C18 H42 Cl8 N2 P2 Ta2 -
Comments: 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 622(11) (1996) 1927-1934
Space group: P b c a
Cell volume: 3419.22
Cell parameters: 14.206; 14.839; 16.22; 90; 90; 90;  

COD ID: 1100509
CIF file Formula: - C32 H74 B2 P2 -
Comments: 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 64(15) (1999) 5581-5588
Space group: P b c a
Cell volume: 7396.17
Cell parameters: 18.003; 14.474; 28.384; 90; 90; 90;  

COD ID: 1100542
CIF file Formula: - C70 H48 Br2 Cl8 F12 I6 P2 -
Comments: 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 54(1) (1999) 77-86
Space group: P b c a
Cell volume: 8070.36
Cell parameters: 21.06; 15.668; 24.458; 90; 90; 90;  

COD ID: 1100544
CIF file Formula: - C26 H24 F12 I8 N2 -
Comments: 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 54(1) (1999) 77-86
Space group: P b c a
Cell volume: 4273.14
Cell parameters: 12.105; 14.29; 24.703; 90; 90; 90;  

COD ID: 1100587
CIF file Formula: - C47 H73 Br Mg O5 Zn -
Comments: 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 624(9) (1998) 1387-1388
Space group: P b c a
Cell volume: 9445.74
Cell parameters: 19.8876; 20.0341; 23.7074; 90; 90; 90;  

COD ID: 1100591
CIF file Formula: - C30 H36 O S -
Comments: 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) (issue 2) (1999) 183-192
Space group: P b c a
Cell volume: 4970.74
Cell parameters: 13.613; 16.073; 22.718; 90; 90; 90;  

COD ID: 1100597
CIF file Formula: - C90 H84 N3 P3 Y2 -
Comments: 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 624(1) (1998) 159-166
Space group: P b c a
Cell volume: 15558.5
Cell parameters: 27.372; 19.889; 28.579; 90; 90; 90;  

COD ID: 1100598
CIF file Formula: - C90 H84 Dy2 N3 P3 -
Comments: 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 624(1) (1998) 159-166
Space group: P b c a
Cell volume: 15532.1
Cell parameters: 27.35; 19.872; 28.578; 90; 90; 90;  

COD ID: 1100599
CIF file Formula: - C90 H84 Er2 N3 P3 -
Comments: 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 624(1) (1998) 159-166
Space group: P b c a
Cell volume: 15438.5
Cell parameters: 27.333; 19.811; 28.511; 90; 90; 90;  

COD ID: 1100635
CIF file Formula: - C90 H84 N3 P3 Yb2 -
Comments: 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 625(11) (1999) 1853-1859
Space group: P b c a
Cell volume: 15366.7
Cell parameters: 27.276; 19.7754; 28.4888; 90; 90; 90;  

COD ID: 1100649
CIF file Formula: - C15 H14 F3 N3 -
Comments: 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 19 (2003) x1-x2
Space group: P b c a
Cell volume: 2765
Cell parameters: 15.625; 23.028; 7.685; 90; 90; 90;  

COD ID: 1100664
CIF file Formula: - C14 H12 O2 -
Comments: 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 19 (2003) x29-x30
Space group: P b c a
Cell volume: 2177.2
Cell parameters: 5.882; 12.104; 30.58; 90; 90; 90;  

COD ID: 1100684
CIF file Formula: - C16 H14 O2 -
Comments: Kitamura, Chitoshi; Fujimoto, Jun; Ouchi, Mikio; Yoneda, Akio Crystal Structure of 1,4-Dimethoxyanthracene Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x69-x70
Space group: P b c a
Cell volume: 2470
Cell parameters: 6.3805; 15.624; 24.778; 90; 90; 90;  

COD ID: 1100770
CIF file Formula: - C6 H8 N Ni O5 P -
Comments: 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 44 (2005) 3599-3604
Space group: P b c a
Cell volume: 1610.1
Cell parameters: 8.798; 10.1982; 17.945; 90; 90; 90;  

COD ID: 1100831
CIF file Formula: - C32 H46 Au N -
Comments: 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 24(10) (2005) 2289-2296
Space group: P b c a
Cell volume: 5906.21
Cell parameters: 17.2772; 18.3213; 18.6586; 90; 90; 90;  

COD ID: 1100850
CIF file Formula: - C24.5 H43.84 B5 Cl3 Ru2 S -
Comments: 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 24(10) (2005) 2473-2480
Space group: P b c a
Cell volume: 6511.5
Cell parameters: 22.027; 12.4145; 23.813; 90; 90; 90;  

COD ID: 1100961
CIF file Formula: - C28 H46 Fe P2 -
Comments: 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 44 (2005) 3103-3111
Space group: P b c a
Cell volume: 5558.7
Cell parameters: 17.9931; 15.2837; 20.2132; 90; 90; 90;  

COD ID: 1101053
CIF file Formula: - K2 Mo4 O13 -
Comments: Kazuo Eda; Kin Chin; Noriyuki Sotani; M. Stanley Whittingham Journal of Solid State Chemistry ()
Space group: P b c a
Cell volume: 2152.3
Cell parameters: 7.5479; 15.391; 18.527; 90; 90; 90;  

COD ID: 1101073
CIF file Formula: - C20 H20 Cu2 N16 O8 -
Comments: 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
Space group: P b c a
Cell volume: 2679.4
Cell parameters: 10.2473; 16.1318; 16.2087; 90; 90; 90;  

COD ID: 1101084
CIF file Formula: - C34 H26 Cl2 N12 O12 Pd2 -
Comments: 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. (issue 24) (2002) 4740-4745
Space group: P b c a
Cell volume: 8038
Cell parameters: 15.468; 20.652; 25.162; 90; 90; 90;  

COD ID: 1101123
CIF file Formula: - C10 H16 Cl2 Cu N4 O4 -
Comments: 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 17 (1998) 3409-3418
Space group: P b c a
Cell volume: 3251
Cell parameters: 14.045; 11.749; 19.701; 90; 90; 90;  

COD ID: 1101130
CIF file Formula: - C16 H16 Au Br4 N8 Na O4 -
Comments: 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 28(7) (1998) 565-570
Space group: P b c a
Cell volume: 5010.5
Cell parameters: 15.2488; 15.238; 21.563; 90; 90; 90;  

COD ID: 1200001
CIF file Formula: - C14 H17 N O4 S -
Comments: Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides Acta Crystallographica, Section C 57(12) (2001) 1454-1456
Space group: P b c a
Cell volume: 2780.7
Cell parameters: 15.9407; 9.1737; 19.015; 90; 90; 90;  

COD ID: 1500007
CIF file Formula: - C8 H32 Br4 Cd Cl4 Co2 N8 -
Comments: 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 794 (2006) 341-347
Space group: P b c a
Cell volume: 5421.3
Cell parameters: 18.6201; 12.0872; 24.0877; 90; 90; 90;  

COD ID: 1500011
CIF file Formula: - C24 H29 Cl2 Co N9 O12 -
Comments: 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 102 (2008) 1677-1683
Space group: P b c a
Cell volume: 6678.5
Cell parameters: 14.9599; 19.0064; 23.4883; 90; 90; 90;  

COD ID: 1500019
CIF file Formula: - C13 H11 N O2 -
Comments: 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 26 (2007) 1292-1302
Space group: P b c a
Cell volume: 2165.5
Cell parameters: 9.4668; 8.8177; 25.9413; 90; 90; 90;  

COD ID: 1500040
CIF file Formula: - C7 H10 Ag Cl N2 -
Comments: 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. 82 (2008) 547-557
Space group: P b c a
Cell volume: 1918.02
Cell parameters: 16.33228; 16.2155; 7.24228; 90; 90; 90;  

COD ID: 1501558
CIF file Formula: - C7 H12 Ag F3 O2 S2 -
Comments: Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris Influence of the counteranion on silver(I)-dithioether coordination polymers Polyhedron 29 (2010) 2966-2975
Space group: P b c a
Cell volume: 2432.2
Cell parameters: 7.6138; 16.0573; 19.894; 90; 90; 90;  

COD ID: 1501708
CIF file Formula: - C10 H13 N3 O2 S -
Comments: 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 115(45) (2011) 12512-12522
Space group: P b c a
Cell volume: 2293.06
Cell parameters: 11.0859; 13.0805; 15.8132; 90; 90; 90;  

COD ID: 1501759
CIF file Formula: - C10 H16 N6 O4 -
Comments: 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 115(35) (2011) 10087-10096
Space group: P b c a
Cell volume: 2571.3
Cell parameters: 16.138; 7.0036; 22.75; 90; 90; 90;  

COD ID: 1501785
CIF file Formula: - C20 H11 Cl2 N2 Ti -
Comments: 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 44(7) (2011) 1986
Space group: P b c a
Cell volume: 3693.69
Cell parameters: 14.606; 12.1974; 20.733; 90; 90; 90;  

COD ID: 1501850
CIF file Formula: - C44 H40 N4 Ni -
Comments: Sarma, Tridib; Panda, Pradeepta K.; Anusha, P. T.; Rao, S. Venugopal Dinaphthoporphycenes: synthesis and nonlinear optical studies. Organic letters 13(2) (2011) 188-191
Space group: P b c a
Cell volume: 3276.7
Cell parameters: 15.338; 13.793; 15.4883; 90; 90; 90;  

COD ID: 1501862
CIF file Formula: - C22 H6 B F15 O -
Comments: 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 13(1) (2011) 62-65
Space group: P b c a
Cell volume: 4303.75
Cell parameters: 14.2119; 16.668; 18.1682; 90; 90; 90;  

COD ID: 1501881
CIF file Formula: - C31 H27 N3 O3 -
Comments: 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 13(2) (2011) 244-247
Space group: P b c a
Cell volume: 15386.7
Cell parameters: 18.5834; 25.3538; 32.657; 90; 90; 90;  

COD ID: 1501969
CIF file Formula: - C35 H38 Cl N O2 -
Comments: 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 13(5) (2011) 1068-1071
Space group: P b c a
Cell volume: 5999.5
Cell parameters: 10.9327; 19.6472; 27.9312; 90; 90; 90;  

COD ID: 1502038
CIF file Formula: - C24 H22 N2 O3 -
Comments: Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties. Organic letters 13(7) (2011) 1658-1661
Space group: P b c a
Cell volume: 7790.3
Cell parameters: 15.6502; 13.1606; 37.823; 90; 90; 90;  

COD ID: 1502065
CIF file Formula: - C27 H20 N2 S -
Comments: 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 13(7) (2011) 1718-1721
Space group: P b c a
Cell volume: 4222.65
Cell parameters: 7.3583; 20.2268; 28.3714; 90; 90; 90;  

COD ID: 1502084
CIF file Formula: - C13 H15 N O2 -
Comments: 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 13(9) (2011) 2180-2183
Space group: P b c a
Cell volume: 2192.2
Cell parameters: 11.542; 12.157; 15.623; 90; 90; 90;  

COD ID: 1502086
CIF file Formula: - C18 H26 O -
Comments: Rendina, Victor L.; Moebius, David C.; Kingsbury, Jason S. An enantioselective synthesis of 2-aryl cycloalkanones by Sc-catalyzed carbon insertion. Organic letters 13(8) (2011) 2004-2007
Space group: P b c a
Cell volume: 3092.6
Cell parameters: 19.6684; 6.0152; 26.14; 90; 90; 90;  

COD ID: 1502090
CIF file Formula: - C25 H27 F3 N2 O2 S Si -
Comments: 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 13(8) (2011) 2030-2033
Space group: P b c a
Cell volume: 5179.7
Cell parameters: 8.2616; 18.2223; 34.406; 90; 90; 90;  

COD ID: 1502119
CIF file Formula: - C16 H17 N3 -
Comments: 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 13(8) (2011) 2102-2105
Space group: P b c a
Cell volume: 2721
Cell parameters: 13.2943; 7.4099; 27.6216; 90; 90; 90;  

COD ID: 1502379
CIF file Formula: - C11 H10 Br2 N4 O2 -
Comments: Hewlett, Nicole M.; Tepe, Jetze J. Total synthesis of the natural product (±)-dibromophakellin and analogues. Organic letters 13(17) (2011) 4550-4553
Space group: P b c a
Cell volume: 2539.08
Cell parameters: 14.934; 9.5657; 17.7739; 90; 90; 90;  

COD ID: 1502387
CIF file Formula: - C14 H13 N3 -
Comments: Shen, Hao; Wang, Yang; Xie, Zuowei Ti-amide catalyzed synthesis of cyclic guanidines from di-/triamines and carbodiimides. Organic letters 13(17) (2011) 4562-4565
Space group: P b c a
Cell volume: 2348
Cell parameters: 12.771; 9.914; 18.545; 90; 90; 90;  

COD ID: 1502458
CIF file Formula: - C23 H27 N O2 -
Comments: 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 13(19) (2011) 5132-5135
Space group: P b c a
Cell volume: 3715.6
Cell parameters: 9.2396; 14.8406; 27.0972; 90; 90; 90;  

COD ID: 1502473
CIF file Formula: - C34 H34 N2 O2 S -
Comments: Cheng, Jiajia; Jiang, Xuefeng; Ma, Shengming Palladium-catalyzed approach to stereodefined ten-membered cycles from 1,5-bisallenes. Organic letters 13(19) (2011) 5200-5203
Space group: P b c a
Cell volume: 5758.9
Cell parameters: 13.1485; 16.858; 25.981; 90; 90; 90;  

COD ID: 1502474
CIF file Formula: - C31 H37 Br2 N O4 -
Comments: Cheng, Jiajia; Jiang, Xuefeng; Ma, Shengming Palladium-catalyzed approach to stereodefined ten-membered cycles from 1,5-bisallenes. Organic letters 13(19) (2011) 5200-5203
Space group: P b c a
Cell volume: 5922.3
Cell parameters: 15.4711; 9.7718; 39.174; 90; 90; 90;  

COD ID: 1502561
CIF file Formula: - C19 H24 O5 -
Comments: Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A. Total synthesis of norcembrenolide B and scabrolide D. Organic letters 13(21) (2011) 5854-5857
Space group: P b c a
Cell volume: 3371.5
Cell parameters: 10.1514; 18.0417; 18.4086; 90; 90; 90;  

COD ID: 1502595
CIF file Formula: - C19 H21 N O2 -
Comments: 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 13(24) (2011) 6390-6393
Space group: P b c a
Cell volume: 3061.1
Cell parameters: 7.889; 17.297; 22.433; 90; 90; 90;  

COD ID: 1502613
CIF file Formula: - C18 H20 N2 O2 -
Comments: 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 13(23) (2011) 6168-6171
Space group: P b c a
Cell volume: 3138.3
Cell parameters: 7.8221; 14.5983; 27.4837; 90; 90; 90;  

COD ID: 1502638
CIF file

Original IUCr paper

 Formula: - C25 H15 Br N4 -
Comments: 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 12(1) (2010) 161
Space group: P b c a
Cell volume: 4027.23
Cell parameters: 14.7393; 10.7465; 25.4251; 90; 90; 90;  

COD ID: 1502675
CIF file Formula: - B F3 H3 N -
Comments: 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 114(37) (2010) 10185-10196
Space group: P b c a
Cell volume: 587.07
Cell parameters: 8.0067; 7.9511; 9.2216; 90; 90; 90;  

COD ID: 1502729
CIF file Formula: - C11 H16 N2 O -
Comments: 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 114(38) (2010) 10421-10426
Space group: P b c a
Cell volume: 2219.09
Cell parameters: 11.0135; 10.1491; 19.8528; 90; 90; 90;  

COD ID: 1502760
CIF file Formula: - C47 H49 N3 -
Comments: Suwa, Kazuya; Otsuki, Joe; Goto, Kei Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines. The journal of physical chemistry. A 114(2) (2010) 884-890
Space group: P b c a
Cell volume: 8073
Cell parameters: 11.408; 25.189; 28.093; 90; 90; 90;  

COD ID: 1502778
CIF file Formula: - C20 H12 Br2 N2 Ni O2 -
Comments: 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 43(24) (2010) 10366
Space group: P b c a
Cell volume: 3574.6
Cell parameters: 10.084; 14.552; 24.36; 90; 90; 90;  

COD ID: 1502897
CIF file Formula: - C15 H17 N O3 -
Comments: DeLorbe, John E.; Lotz, Monica D.; Martin, Stephen F. Concise total synthesis of (+/-)-lycopladine A. Organic letters 12(7) (2010) 1576-1579
Space group: P b c a
Cell volume: 2588.6
Cell parameters: 9.572; 13.652; 19.809; 90; 90; 90;  

COD ID: 1502906
CIF file Formula: - C12 H12 Br N O2 -
Comments: 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 12(9) (2010) 1944-1947
Space group: P b c a
Cell volume: 2246.07
Cell parameters: 9.9717; 8.8126; 25.5594; 90; 90; 90;  

COD ID: 1502921
CIF file Formula: - C17 H28 Cl N2 Rh -
Comments: Kim, Min; Chang, Sukbok Rhodium(NHC)-catalyzed amination of aryl bromides. Organic letters 12(7) (2010) 1640-1643
Space group: P b c a
Cell volume: 3641.82
Cell parameters: 10.7478; 12.6636; 26.7573; 90; 90; 90;  

COD ID: 1502945
CIF file Formula: - C8 H10 B I O4 -
Comments: Al-Zoubi, Raed M; Hall, Dennis G. Mild silver(I)-mediated regioselective iodination and bromination of arylboronic acids. Organic letters 12(11) (2010) 2480-2483
Space group: P b c a
Cell volume: 2091.14
Cell parameters: 9.1721; 14.0916; 16.1791; 90; 90; 90;  

COD ID: 1502990
CIF file Formula: - C8 H12 B12 F12 N8 -
Comments: 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 12(12) (2010) 2714-2717
Space group: P b c a
Cell volume: 4452.7
Cell parameters: 17.066; 14.6477; 17.8123; 90; 90; 90;  

COD ID: 1503005
CIF file Formula: - C30 H42 Cl2 Cu N12 O14 -
Comments: Arunachalam, M.; Ahamed, B. Nisar; Ghosh, Pradyut Binding of ammonium hexafluorophosphate and cation-induced isolation of unusual conformers of a hexapodal receptor. Organic letters 12(12) (2010) 2742-2745
Space group: P b c a
Cell volume: 7820
Cell parameters: 12.126; 21.131; 30.52; 90; 90; 90;  

COD ID: 1503092
CIF file Formula: - C26 H22 F3 N O2 S -
Comments: 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 12(17) (2010) 3744-3747
Space group: P b c a
Cell volume: 4803.7
Cell parameters: 15.2284; 17.6487; 17.8733; 90; 90; 90;  

COD ID: 1503100
CIF file Formula: - C18 H21 Cl O2 -
Comments: 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 12(15) (2010) 3398-3401
Space group: P b c a
Cell volume: 2846.33
Cell parameters: 18.9939; 7.0672; 21.2043; 90; 90; 90;  

COD ID: 1503186
CIF file Formula: - C30 H28 B Cl2 F N2 O -
Comments: Shintani, Ryo; Soh, Ying-Teck; Hayashi, Tamio Rhodium-catalyzed asymmetric arylation of azomethine imines. Organic letters 12(18) (2010) 4106-4109
Space group: P b c a
Cell volume: 5267
Cell parameters: 15.361; 14.451; 23.729; 90; 90; 90;  

COD ID: 1503203
CIF file Formula: - C12 H9 Cl O2 -
Comments: 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 12(21) (2010) 4756-4759
Space group: P b c a
Cell volume: 1973.2
Cell parameters: 15.103; 6.0078; 21.747; 90; 90; 90;  

COD ID: 1503208
CIF file Formula: - C18 H20 O2 -
Comments: 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 12(20) (2010) 4446-4449
Space group: P b c a
Cell volume: 2870.61
Cell parameters: 9.9559; 13.4641; 21.4149; 90; 90; 90;  

COD ID: 1503260
CIF file Formula: - C12 H10 O2 -
Comments: Hopkinson, Matthew N.; Ross, Jonathan E.; Giuffredi, Guy T.; Gee, Antony D.; Gouverneur, Véronique Gold-catalyzed cascade cyclization-oxidative alkynylation of allenoates. Organic letters 12(21) (2010) 4904-4907
Space group: P b c a
Cell volume: 1829.56
Cell parameters: 9.8904; 13.3099; 13.8982; 90; 90; 90;  

COD ID: 1503297
CIF file Formula: - C18 H24 O3 Si -
Comments: 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 12(23) (2010) 5446-5449
Space group: P b c a
Cell volume: 3552.6
Cell parameters: 18.994; 7.2836; 25.679; 90; 90; 90;  

COD ID: 1503319
CIF file Formula: - C20 H14 N2 O -
Comments: Andrew, Trisha L.; Cox, Jason R.; Swager, Timothy M. Synthesis, reactivity, and electronic properties of 6,6-dicyanofulvenes. Organic letters 12(22) (2010) 5302-5305
Space group: P b c a
Cell volume: 3008.07
Cell parameters: 10.6357; 12.4031; 22.803; 90; 90; 90;  

COD ID: 1503370
CIF file Formula: - C24 H22 S6 Si2 -
Comments: 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 12(3) (2010) 456-459
Space group: P b c a
Cell volume: 5349.1
Cell parameters: 8.9624; 19.1122; 31.228; 90; 90; 90;  

COD ID: 1503377
CIF file Formula: - C19 H13 N3 O -
Comments: Zhao, Tiankun; Xu, Bin Palladium-catalyzed tandem amination reaction for the synthesis of 4-quinolones. Organic letters 12(2) (2010) 212-215
Space group: P b c a
Cell volume: 3025.8
Cell parameters: 7.0652; 20.188; 21.214; 90; 90; 90;  

COD ID: 1503383
CIF file Formula: - C118 H166 F30 N14 O20 -
Comments: Arunachalam, M.; Ghosh, Pradyut Bistripodand amide host for compartmental recognition of multiple oxyanions. Organic letters 12(2) (2010) 328-331
Space group: P b c a
Cell volume: 13240.8
Cell parameters: 22.9778; 21.9054; 26.306; 90; 90; 90;  

COD ID: 1503471
CIF file Formula: - C18 H18 O4 -
Comments: 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 75(2) (2012) 275-279
Space group: P b c a
Cell volume: 2896.5
Cell parameters: 8.3669; 17.2652; 20.0508; 90; 90; 90;  

COD ID: 1503509
CIF file Formula: - C32 H19 N7 Ni -
Comments: 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 14(1) (2012) 190-193
Space group: P b c a
Cell volume: 4850.6
Cell parameters: 22.06; 6.295; 34.93; 90; 90; 90;  

COD ID: 1503520
CIF file Formula: - C8 H16 N2 O2 -
Comments: 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 14(1) (2012) 218-221
Space group: P b c a
Cell volume: 1860.27
Cell parameters: 13.5392; 6.7124; 20.4694; 90; 90; 90;  

COD ID: 1503588
CIF file Formula: - C28 H28 N2 O4 S -
Comments: 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 14(3) (2012) 740-743
Space group: P b c a
Cell volume: 4940.3
Cell parameters: 19.5308; 10.1952; 24.8108; 90; 90; 90;  

COD ID: 1503659
CIF file Formula: - C21 H24 N4 O2 -
Comments: 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 11(6) (2009) 1050
Space group: P b c a
Cell volume: 3784.1
Cell parameters: 8.7519; 16.8317; 25.6881; 90; 90; 90;  

COD ID: 1503660
CIF file Formula: - C10 H10 N4 O3 -
Comments: 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 11(6) (2009) 1050
Space group: P b c a
Cell volume: 2111
Cell parameters: 8.973; 8.3478; 28.1826; 90; 90; 90;  

COD ID: 1503721
CIF file Formula: - C22 H33 N5 O4 -
Comments: 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 11(1) (2009) 61-64
Space group: P b c a
Cell volume: 4465.1
Cell parameters: 8.0384; 16.6403; 33.381; 90; 90; 90;  

COD ID: 1503737
CIF file Formula: - C42 H28 -
Comments: 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 11(2) (2009) 321-324
Space group: P b c a
Cell volume: 5673
Cell parameters: 16.753; 17.878; 18.941; 90; 90; 90;  

COD ID: 1503748
CIF file Formula: - C22 H28 N O5 P S -
Comments: 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 11(2) (2009) 457-459
Space group: P b c a
Cell volume: 4481.5
Cell parameters: 12.596; 17.629; 20.182; 90; 90; 90;  

COD ID: 1503798
CIF file Formula: - C15 H18 N2 O2 -
Comments: 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 11(4) (2009) 1015-1018
Space group: P b c a
Cell volume: 2764
Cell parameters: 11.725; 13.381; 17.617; 90; 90; 90;  

COD ID: 1503808
CIF file Formula: - C6 H8 O2 Te -
Comments: Patra, Asit; Wijsboom, Yair H.; Leitus, Gregory; Bendikov, Michael Synthesis, structure, and electropolymerization of 3,4-dimethoxytellurophene: comparison with selenium analogue. Organic letters 11(7) (2009) 1487-1490
Space group: P b c a
Cell volume: 4641.9
Cell parameters: 25.479; 5.981; 30.461; 90; 90; 90;  

COD ID: 1503835
CIF file Formula: - C37 H45 Cl3 I2 N2 O2 -
Comments: Pignataro, Luca; Papalia, Teresa; Slawin, Alexandra M. Z.; Goldup, Stephen M. Unusual mechanistic course of some NHC-mediated transesterifications. Organic letters 11(7) (2009) 1643-1646
Space group: P b c a
Cell volume: 8585.9
Cell parameters: 19.8903; 16.9211; 25.5102; 90; 90; 90;  

COD ID: 1503846
CIF file Formula: - C23 H23 N O -
Comments: Yip, Kai-Tai; Zhu, Nian-Yong; Yang, Dan Palladium-catalyzed highly diastereoselective oxidative cascade cyclization reactions. Organic letters 11(9) (2009) 1911-1914
Space group: P b c a
Cell volume: 3613.6
Cell parameters: 10.455; 11.538; 29.956; 90; 90; 90;  

COD ID: 1503882
CIF file Formula: - C16 H19 N3 O3 S2 -
Comments: 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 11(11) (2009) 2265-2268
Space group: P b c a
Cell volume: 3546.9
Cell parameters: 12.215; 8.434; 34.429; 90; 90; 90;  

COD ID: 1503932
CIF file Formula: - C18 H26 N2 O3 -
Comments: 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 11(11) (2009) 2333-2336
Space group: P b c a
Cell volume: 3467.7
Cell parameters: 9.7178; 12.0387; 29.641; 90; 90; 90;  

COD ID: 1503943
CIF file Formula: - C10 H15 N5 O3 -
Comments: 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 11(12) (2009) 2523-2526
Space group: P b c a
Cell volume: 2476.3
Cell parameters: 6.936; 17.283; 20.657; 90; 90; 90;  

COD ID: 1503989
CIF file Formula: - C18 H21 N O5 -
Comments: Tang, Yuchen; Fettinger, James C.; Shaw, Jared T. One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides. Organic letters 11(17) (2009) 3802-3805
Space group: P b c a
Cell volume: 3331.3
Cell parameters: 12.7255; 9.7373; 26.8842; 90; 90; 90;  

COD ID: 1504012
CIF file Formula: - C20 H17 N S2 -
Comments: Balaji, Ganapathy; Valiyaveettil, Suresh Synthesis and properties of symmetric and unsymmetric dibenzothienopyrroles. Organic letters 11(15) (2009) 3358-3361
Space group: P b c a
Cell volume: 3275.4
Cell parameters: 9.6873; 17.8299; 18.963; 90; 90; 90;  

COD ID: 1504064
CIF file Formula: - C25 H26 Br N O4 -
Comments: 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 11(16) (2009) 3754-3756
Space group: P b c a
Cell volume: 4505.7
Cell parameters: 17.103; 8.857; 29.744; 90; 90; 90;  

COD ID: 1504083
CIF file Formula: - C36 H52 N8 O8 -
Comments: Kang, Sung Ok; Day, Victor W.; Bowman-James, Kristin The influence of amine functionalities on anion binding in polyamide-containing macrocycles. Organic letters 11(16) (2009) 3654-3657
Space group: P b c a
Cell volume: 7639
Cell parameters: 14.488; 18.236; 28.915; 90; 90; 90;  

COD ID: 1504107
CIF file Formula: - C25 H28 N2 O3 -
Comments: 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 11(18) (2009) 4064-4067
Space group: P b c a
Cell volume: 4184
Cell parameters: 13.0902; 16.4023; 19.4869; 90; 90; 90;  

COD ID: 1504118
CIF file Formula: - C10 H9 N O2 S -
Comments: Palsuledesai, Charuta C.; Murru, Siva; Sahoo, Santosh K.; Patel, Bhisma K. Acyl-isothiocyanates as efficient thiocyanate transfer reagents. Organic letters 11(15) (2009) 3382-3385
Space group: P b c a
Cell volume: 1940.28
Cell parameters: 9.4658; 10.2821; 19.9354; 90; 90; 90;  

COD ID: 1504144
CIF file Formula: - C20 H14 -
Comments: 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 11(17) (2009) 4026-4028
Space group: P b c a
Cell volume: 1319.6
Cell parameters: 7.9296; 11.5575; 14.399; 90; 90; 90;  

COD ID: 1504171
CIF file Formula: - C18 H24 O S -
Comments: Liu, Taoping; Zhao, Xiaoming; Lu, Long; Cohen, Theodore Readily prepared 3-chloro-1-(phenylthio)propene, a versatile three-carbon annulating agent. Organic letters 11(20) (2009) 4576-4579
Space group: P b c a
Cell volume: 3218
Cell parameters: 9.2519; 16.7091; 20.816; 90; 90; 90;  

COD ID: 1504236
CIF file Formula: - C15 H17 N O4 -
Comments: Kise, Naoki; Isemoto, Shinsaku; Sakurai, Toshihiko Electroreductive coupling of phthalimides with alpha,beta-unsaturated esters: unusual rearrangement of resulting silyl ketene acetals. Organic letters 11(21) (2009) 4902-4905
Space group: P b c a
Cell volume: 2757
Cell parameters: 9.03; 11.494; 26.562; 90; 90; 90;  

COD ID: 1504237
CIF file Formula: - C16 H19 N O4 -
Comments: Kise, Naoki; Isemoto, Shinsaku; Sakurai, Toshihiko Electroreductive coupling of phthalimides with alpha,beta-unsaturated esters: unusual rearrangement of resulting silyl ketene acetals. Organic letters 11(21) (2009) 4902-4905
Space group: P b c a
Cell volume: 2885
Cell parameters: 9.4786; 10.8076; 28.163; 90; 90; 90;  

COD ID: 1504246
CIF file Formula: - C39 H42 -
Comments: 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 11(21) (2009) 4942-4945
Space group: P b c a
Cell volume: 6070.1
Cell parameters: 10.8889; 18.2557; 30.536; 90; 90; 90;  

COD ID: 1504253
CIF file Formula: - C13 H12 N4 -
Comments: Lee, Sanghee; Park, Seung Bum An efficient one-step synthesis of heterobiaryl pyrazolo[3,4-b]pyridines via indole ring opening. Organic letters 11(22) (2009) 5214-5217
Space group: P b c a
Cell volume: 2353.6
Cell parameters: 17.055; 6.187; 22.305; 90; 90; 90;  

COD ID: 1504290
CIF file Formula: - C28 H32 N2 O3 -
Comments: 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 11(24) (2009) 5642-5645
Space group: P b c a
Cell volume: 4979
Cell parameters: 12.587; 12.897; 30.669; 90; 90; 90;  

COD ID: 1504316
CIF file Formula: - C9 H9 N O3 -
Comments: 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 13(2) (2009) 198
Space group: P b c a
Cell volume: 3321
Cell parameters: 16.163; 8.953; 22.95; 90; 90; 90;  

COD ID: 1504319
CIF file Formula: - C9 H10 Cl N O -
Comments: 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 13(6) (2009) 1231
Space group: P b c a
Cell volume: 1759.77
Cell parameters: 9.4251; 9.2575; 20.1686; 90; 90; 90;  

COD ID: 1504320
CIF file Formula: - C11 H14 Cl N O -
Comments: 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 13(6) (2009) 1231
Space group: P b c a
Cell volume: 2238.28
Cell parameters: 9.7381; 10.0151; 22.9501; 90; 90; 90;  

COD ID: 1504323
CIF file Formula: - C7 H6 Br N O -
Comments: 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 13(6) (2009) 1231
Space group: P b c a
Cell volume: 1439.43
Cell parameters: 10.848; 9.8017; 13.5375; 90; 90; 90;  

COD ID: 1504334
CIF file Formula: - C17 H26 N4 O3 -
Comments: Shaabani, Ahmad; Maleki, Ali; Mofakham, Hamid Novel Multicomponent One-Pot Synthesis of Tetrahydro-1H-1,5-benzodiazepine-2-carboxamide Derivatives Journal of Combinatorial Chemistry 10(4) (2008) 595
Space group: P b c a
Cell volume: 3790
Cell parameters: 10.2548; 17.3996; 21.2408; 90; 90; 90;  

COD ID: 1504366
CIF file Formula: - C16 H8 F6 N2 O -
Comments: 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 112(21) (2008) 7939
Space group: P b c a
Cell volume: 2853.2
Cell parameters: 15.064; 5.9041; 32.08; 90; 90; 90;  

COD ID: 1504407
CIF file Formula: - C6 H16 Cu2 N4 O6 -
Comments: 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 112(38) (2008) 9050-9067
Space group: P b c a
Cell volume: 1216.07
Cell parameters: 8.3395; 8.5023; 17.1507; 90; 90; 90;  

COD ID: 1504408
CIF file Formula: - C6 H16 Cu2 N4 O6 -
Comments: 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 112(38) (2008) 9050-9067
Space group: P b c a
Cell volume: 1219.13
Cell parameters: 8.3459; 8.5084; 17.1684; 90; 90; 90;  

COD ID: 1504430
CIF file Formula: - C24 H19 B Cl2 I2 N2 O -
Comments: Nagata, Yuuya; Chujo, Yoshiki Main-Chain-TypeN,N′-Chelate Organoboron Aminoquinolate Polymers: Synthesis, Luminescence, and Energy Transfer Behavior Macromolecules 41(10) (2008) 3488
Space group: P b c a
Cell volume: 9858.7
Cell parameters: 16.7466; 20.0392; 29.3774; 90; 90; 90;  

COD ID: 1504524
CIF file Formula: - C17 H18 Br4 -
Comments: Spantulescu, Andreea; Luu, Thanh; Zhao, Yuming; McDonald, Robert; Tykwinski, Rik R. Synthesis and characterization of cyclic alkyl tetraynes. Organic letters 10(4) (2008) 609-612
Space group: P b c a
Cell volume: 3586.5
Cell parameters: 6.3174; 23.129; 24.546; 90; 90; 90;  

COD ID: 1504557
CIF file Formula: - C27 H26 B N O3 Si -
Comments: 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 10(5) (2008) 929-932
Space group: P b c a
Cell volume: 4810.5
Cell parameters: 9.1369; 20.4629; 25.729; 90; 90; 90;  

COD ID: 1504593
CIF file Formula: - C23 H22 O S -
Comments: 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 10(6) (2008) 1271-1274
Space group: P b c a
Cell volume: 3647.32
Cell parameters: 11.0748; 13.0716; 25.1947; 90; 90; 90;  

COD ID: 1504596
CIF file Formula: - C34 H35 N4 O4.5 -
Comments: 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 10(6) (2008) 1275-1278
Space group: P b c a
Cell volume: 5828.2
Cell parameters: 13.6561; 16.409; 26.0092; 90; 90; 90;  

COD ID: 1504607
CIF file Formula: - C17 H20 N2 O2 -
Comments: Magolan, Jakob; Carson, Cheryl A.; Kerr, Michael A. Total synthesis of (+/-)-mersicarpine. Organic letters 10(7) (2008) 1437-1440
Space group: P b c a
Cell volume: 2872.56
Cell parameters: 13.7887; 8.2013; 25.4017; 90; 90; 90;  

COD ID: 1504717
CIF file Formula: - C22 H27 N O2 -
Comments: Rudkin, Mairi E.; Joensuu, Pekka M.; MacLachlan, William S.; Lam, Hon Wai Diastereoselective cobalt-catalyzed alkylative aldol cyclizations using trialkylaluminum reagents. Organic letters 10(14) (2008) 2939-2942
Space group: P b c a
Cell volume: 3653.6
Cell parameters: 6.8324; 22.8044; 23.4492; 90; 90; 90;  

COD ID: 1504726
CIF file Formula: - C19 H16 O6 -
Comments: 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 10(13) (2008) 2801-2804
Space group: P b c a
Cell volume: 3252.6
Cell parameters: 9.9608; 9.8561; 33.131; 90; 90; 90;  

COD ID: 1504878
CIF file Formula: - C16 H23 N O2 -
Comments: 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 10(18) (2008) 4113-4116
Space group: P b c a
Cell volume: 2923.4
Cell parameters: 6.4956; 18.0854; 24.885; 90; 90; 90;  

COD ID: 1504960
CIF file Formula: - C20 H14 N4 O -
Comments: 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 10(23) (2008) 5389-5392
Space group: P b c a
Cell volume: 3292.2
Cell parameters: 38.946; 10.7963; 7.8297; 90; 90; 90;  

COD ID: 1504969
CIF file Formula: - C29 H28 Cl3 O2 P2 Rh -
Comments: Kashiwabara, Taigo; Fuse, Kouichiro; Hua, Ruimao; Tanaka, Masato Rhodium-complex-catalyzed addition reactions of chloroacetyl chlorides to alkynes. Organic letters 10(23) (2008) 5469-5472
Space group: P b c a
Cell volume: 5633.8
Cell parameters: 16.4539; 13.1086; 26.12; 90; 90; 90;  

COD ID: 1504984
CIF file Formula: - C6 H3 F7 N2 -
Comments: Lu, Changqing; VanDerveer, Don; DesMarteau, Darryl D. Fluoroalkylation of imidazoles by hypervalent iodonium salts. Organic letters 10(24) (2008) 5565-5568
Space group: P b c a
Cell volume: 1699.1
Cell parameters: 9.823; 7.302; 23.688; 90; 90; 90;  

COD ID: 1505028
CIF file Formula: - C23 H36 Cl Cu N5 O8 -
Comments: 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 50(10) (2007) 2527-2535
Space group: P b c a
Cell volume: 5238.8
Cell parameters: 21.134; 10.7258; 23.111; 90; 90; 90;  

COD ID: 1505062
CIF file Formula: - C12 H18 N2 O4 S -
Comments: 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 111(19) (2007) 5254-5263
Space group: P b c a
Cell volume: 2754.3
Cell parameters: 25.654; 10.4439; 10.2801; 90; 90; 90;  

COD ID: 1505168
CIF file Formula: - C31 H20 O4 -
Comments: 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 40(25) (2007) 9040
Space group: P b c a
Cell volume: 4341.2
Cell parameters: 13.8475; 16.2027; 19.3485; 90; 90; 90;  

COD ID: 1505266
CIF file Formula: - C15 H20 Cl2 Ir N O -
Comments: 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 9(1) (2007) 109-111
Space group: P b c a
Cell volume: 3228.8
Cell parameters: 14.1344; 14.996; 15.2331; 90; 90; 90;  

COD ID: 1505273
CIF file Formula: - C16 H19 N O4 -
Comments: 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 9(4) (2007) 615-618
Space group: P b c a
Cell volume: 2873.6
Cell parameters: 10.9278; 10.6803; 24.621; 90; 90; 90;  

COD ID: 1505451
CIF file Formula: - C14 H17 N O2 -
Comments: 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 9(17) (2007) 3233-3236
Space group: P b c a
Cell volume: 4870
Cell parameters: 17.4562; 15.5902; 17.8949; 90; 90; 90;  

COD ID: 1505466
CIF file Formula: - C15 H14 Br N O4 -
Comments: Henry, Christopher E.; Kwon, Ohyun Phosphine-catalyzed synthesis of highly functionalized coumarins. Organic letters 9(16) (2007) 3069-3072
Space group: P b c a
Cell volume: 2851.2
Cell parameters: 9.907; 16.144; 17.827; 90; 90; 90;  

COD ID: 1505503
CIF file Formula: - C17 H18 O3 -
Comments: 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 9(18) (2007) 3539-3542
Space group: P b c a
Cell volume: 2719.9
Cell parameters: 10.0439; 9.8777; 27.4151; 90; 90; 90;  

COD ID: 1505523
CIF file Formula: - C15 H17 Cl O2 -
Comments: Grant, Tina N.; West, F. G. Interrupted nazarov reactions using dichlorocyclopropanes: a novel mode of arene trapping. Organic letters 9(19) (2007) 3789-3792
Space group: P b c a
Cell volume: 2630.3
Cell parameters: 15.9739; 8.89; 18.522; 90; 90; 90;  

COD ID: 1505556
CIF file Formula: - C21 H29 I N O2 -
Comments: Sunderhaus, James D.; Dockendorff, Chris; Martin, Stephen F. Applications of multicomponent reactions for the synthesis of diverse heterocyclic scaffolds. Organic letters 9(21) (2007) 4223-4226
Space group: P b c a
Cell volume: 4075.11
Cell parameters: 14.5524; 16.6177; 16.8513; 90; 90; 90;  

COD ID: 1505582
CIF file Formula: - C7 H12 Cl N O2 -
Comments: 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 9(25) (2007) 5171-5174
Space group: P b c a
Cell volume: 1703.8
Cell parameters: 10.4278; 8.5518; 19.106; 90; 90; 90;  

COD ID: 1505599
CIF file Formula: - C15 H15 N O -
Comments: 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 9(26) (2007) 5421-5424
Space group: P b c a
Cell volume: 2288.96
Cell parameters: 8.0935; 8.065; 35.0669; 90; 90; 90;  

COD ID: 1505627
CIF file Formula: - C20 H24 Cl N3 O2 -
Comments: 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 9(24) (2007) 5115-5118
Space group: P b c a
Cell volume: 3764.56
Cell parameters: 12.1354; 10.5342; 29.4482; 90; 90; 90;  

COD ID: 1505632
CIF file Formula: - C17 H20 N2 O2 -
Comments: 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 9(24) (2007) 5119-5122
Space group: P b c a
Cell volume: 2866.6
Cell parameters: 18.61; 7.6918; 20.026; 90; 90; 90;  

COD ID: 1505750
CIF file Formula: - C36 H40 Cl6 N6 O23 Pt3 Y2 -
Comments: 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 110(43) (2006) 21509-21520
Space group: P b c a
Cell volume: 10174
Cell parameters: 18.068; 19.887; 28.316; 90; 90; 90;  

COD ID: 1505755
CIF file Formula: - C7 H12 F6 N2 O6 S2 -
Comments: 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 110(42) (2006) 20978-20992
Space group: P b c a
Cell volume: 6129.6
Cell parameters: 23.4721; 10.2027; 25.5957; 90; 90; 90;  

COD ID: 1505770
CIF file Formula: - C71 H85 Cl3 O4 -
Comments: Yang, Yong; Swager, Timothy M. Main-Chain Calixarene Polymers: Conformational Effects on Polymerization Macromolecules 39(6) (2006) 2013
Space group: P b c a
Cell volume: 12754.7
Cell parameters: 16.6918; 20.6408; 37.0204; 90; 90; 90;  

COD ID: 1505808
CIF file Formula: - C10 H10 Br N O2 -
Comments: 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 69(11) (2006) 1596-1600
Space group: P b c a
Cell volume: 2045.1
Cell parameters: 12.3702; 8.451; 19.563; 90; 90; 90;  

COD ID: 1505845
CIF file Formula: - C14 H15 N O4 -
Comments: 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 8(3) (2006) 519-522
Space group: P b c a
Cell volume: 2486.2
Cell parameters: 15.469; 7.263; 22.129; 90; 90; 90;  

COD ID: 1505856
CIF file Formula: - C22 H19 Cr N O5 -
Comments: Kamikawa, Ken; Kinoshita, Shunsuke; Matsuzaka, Hiroyuki; Uemura, Motokazu Stereoselective synthesis of axially chiral N-C bonds in N-aryl indoles. Organic letters 8(6) (2006) 1097-1100
Space group: P b c a
Cell volume: 8057
Cell parameters: 14.681; 14.7727; 37.15; 90; 90; 90;  

COD ID: 1505900
CIF file Formula: - C21 H22 N10 -
Comments: 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 8(8) (2006) 1577-1579
Space group: P b c a
Cell volume: 4356.1
Cell parameters: 8.717; 21.365; 23.39; 90; 90; 90;  

COD ID: 1505954
CIF file Formula: - C18 H24 O3 S -
Comments: Chen, Wenbo; Zhao, Xiaoming; Lu, Long; Cohen, Theodore 2-Phenylthio-3-bromopropene, a valuable synthon, easily prepared by a simple rearrangement. Organic letters 8(10) (2006) 2087-2090
Space group: P b c a
Cell volume: 3426
Cell parameters: 10.4474; 13.7791; 23.7993; 90; 90; 90;  

COD ID: 1505989
CIF file Formula: - C17 H16 N2 O -
Comments: Ellis-Holder, Keisha K; Peppers, Brian P.; Kovalevsky, Andrei Yu; Diver, Steven T. Macrocycle ring expansion by double Stevens rearrangement. Organic letters 8(12) (2006) 2511-2514
Space group: P b c a
Cell volume: 2619.41
Cell parameters: 8.178; 12.3849; 25.8621; 90; 90; 90;  

COD ID: 1506040
CIF file Formula: - C19 H20 O4 -
Comments: 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 8(14) (2006) 3029-3032
Space group: P b c a
Cell volume: 3216.5
Cell parameters: 16.779; 23.256; 8.243; 90; 90; 90;  

COD ID: 1506047
CIF file Formula: - C20 H32 O3 Si -
Comments: Thornton, Paul D.; Burnell, D. Jean A Pauson-Khand and ring-expansion approach to the aquariane ring system. Organic letters 8(15) (2006) 3195-3198
Space group: P b c a
Cell volume: 3977.1
Cell parameters: 10.2128; 14.5819; 26.706; 90; 90; 90;  

COD ID: 1506049
CIF file Formula: - C7 H11 Br I N O -
Comments: 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 8(12) (2006) 2647-2650
Space group: P b c a
Cell volume: 1982.7
Cell parameters: 7.9917; 10.5745; 23.462; 90; 90; 90;  

COD ID: 1506050
CIF file Formula: - C7 H11 I2 N O -
Comments: 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 8(12) (2006) 2647-2650
Space group: P b c a
Cell volume: 2052
Cell parameters: 8.0936; 10.7502; 23.5836; 90; 90; 90;  

COD ID: 1506104
CIF file Formula: - C14 H12 B N3 -
Comments: Wood, Thomas K.; Piers, Warren E.; Keay, Brian A.; Parvez, Masood 1-Borabarrelene derivatives via Diels-Alder additions to borabenzenes. Organic letters 8(13) (2006) 2875-2878
Space group: P b c a
Cell volume: 2412.9
Cell parameters: 15.42; 6.561; 23.85; 90; 90; 90;  

COD ID: 1506131
CIF file Formula: - C24 H31 N O3 -
Comments: Hogan, Anne-Marie L; O'Shea, Donal F Regioselective carbolithiation of o-amino-(E)-stilbenes: cascade route to the quinoline scaffold. Organic letters 8(17) (2006) 3769-3772
Space group: P b c a
Cell volume: 4191.4
Cell parameters: 21.57; 8.3502; 23.271; 90; 90; 90;  

COD ID: 1506143
CIF file Formula: - C14 H11 N3 O -
Comments: 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 8(19) (2006) 4207-4210
Space group: P b c a
Cell volume: 2467.5
Cell parameters: 10.5307; 7.9709; 29.396; 90; 90; 90;  

COD ID: 1506144
CIF file Formula: - C14 H11 N3 O -
Comments: 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 8(19) (2006) 4207-4210
Space group: P b c a
Cell volume: 2349.4
Cell parameters: 5.9414; 14.8154; 26.69; 90; 90; 90;  

COD ID: 1506261
CIF file Formula: - C12 H19 N O2 -
Comments: 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 8(23) (2006) 5271-5273
Space group: P b c a
Cell volume: 2270.2
Cell parameters: 11.177; 14.03; 14.477; 90; 90; 90;  

COD ID: 1506403
CIF file Formula: - C18 H17 B F2 N2 -
Comments: 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 109(43) (2005) 20433-20443
Space group: P b c a
Cell volume: 3078.48
Cell parameters: 16.7533; 10.6616; 17.2351; 90; 90; 90;  

COD ID: 1506407
CIF file Formula: - C14 H30 F6 Li2 N2 O6 S2 -
Comments: 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 109(44) (2005) 20697-20706
Space group: P b c a
Cell volume: 2455.8
Cell parameters: 8.6035; 10.008; 28.521; 90; 90; 90;  

COD ID: 1506476
CIF file Formula: - C11 H8 Br2 O3 -
Comments: 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 7(3) (2005) 423-425
Space group: P b c a
Cell volume: 2185.56
Cell parameters: 10.3322; 11.1219; 19.0191; 90; 90; 90;  

COD ID: 1506514
CIF file Formula: - C20 H18 -
Comments: Lunazzi, Lodovico; Mazzanti, Andrea; Minzoni, Mirko; Anderson, J. Edgar Structure, conformation, and dynamic processes of the stereolabile atropisomers of hindered terphenyl hydrocarbons. Organic letters 7(7) (2005) 1291-1294
Space group: P b c a
Cell volume: 1452.9
Cell parameters: 10.7905; 7.675; 17.5436; 90; 90; 90;  

COD ID: 1506521
CIF file Formula: - C20 H15 N3 O -
Comments: Davis, Riju; Tamaoki, Nobuyuki Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene. Organic letters 7(8) (2005) 1461-1464
Space group: P b c a
Cell volume: 2956.6
Cell parameters: 22.607; 5.3689; 24.359; 90; 90; 90;  

COD ID: 1506550
CIF file Formula: - C9 H14 O4 -
Comments: Aspinall, Helen C.; Greeves, Nicholas; Valla, Carine Samarium diiodide-catalyzed diastereoselective pinacol couplings. Organic letters 7(10) (2005) 1919-1922
Space group: P b c a
Cell volume: 1809
Cell parameters: 9.9387; 11.7542; 15.485; 90; 90; 90;  

COD ID: 1506565
CIF file Formula: - C12 H18 N2 O2 -
Comments: Hu, Tianshun; Li, Chaozhong Synthesis of lactams via copper-catalyzed intramolecular vinylation of amides. Organic letters 7(10) (2005) 2035-2038
Space group: P b c a
Cell volume: 1225.3
Cell parameters: 7.6969; 9.6905; 16.428; 90; 90; 90;  

COD ID: 1506567
CIF file Formula: - C79 Cl9 N -
Comments: Pham, David; Cerón Bertran, Jordi; Olmstead, Marilyn M.; Mascal, Mark; Balch, Alan L. Interaction of fullerenes with the concave surfaces of perchloroazatriquinacene. Organic letters 7(14) (2005) 2805-2808
Space group: P b c a
Cell volume: 9019
Cell parameters: 16.844; 19.929; 26.869; 90; 90; 90;  

COD ID: 1506587
CIF file Formula: - C18 H30 O6 -
Comments: 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 7(12) (2005) 2461-2464
Space group: P b c a
Cell volume: 3733.12
Cell parameters: 11.739; 9.94; 31.993; 90; 90; 90;  

COD ID: 1506617
CIF file Formula: - C20 H21 N O5 S -
Comments: Shi, Yong-Ling; Shi, Min DABCO-catalyzed reaction of allenic esters and ketones with salicyl N-tosylimines: synthesis of highly functionalized chromenes. Organic letters 7(14) (2005) 3057-3060
Space group: P b c a
Cell volume: 3868.4
Cell parameters: 15.9518; 12.6973; 19.0989; 90; 90; 90;  

COD ID: 1506692
CIF file Formula: - C9 H14 O3 -
Comments: 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 7(21) (2005) 4577-4580
Space group: P b c a
Cell volume: 1779.2
Cell parameters: 5.9697; 13.3048; 22.401; 90; 90; 90;  

COD ID: 1506698
CIF file Formula: - C15 H20 O3 -
Comments: Lam, Hon Wai; Joensuu, Pekka M. Cu(I)-catalyzed reductive aldol cyclizations: diastereo- and enantioselective synthesis of beta-hydroxylactones. Organic letters 7(19) (2005) 4225-4228
Space group: P b c a
Cell volume: 2707.4
Cell parameters: 9.0996; 11.5389; 25.785; 90; 90; 90;  

COD ID: 1506711
CIF file Formula: - C16 H15 F6 N O4 S -
Comments: Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J. [2]pseudorotaxane formation with N-benzylanilinium axles and 24-crown-8 ether wheels. Organic letters 7(22) (2005) 4923-4926
Space group: P b c a
Cell volume: 3719.6
Cell parameters: 17.1855; 8.6653; 24.9779; 90; 90; 90;  

COD ID: 1506722
CIF file Formula: - C15 H18 N2 O4 -
Comments: Blakemore, Paul R.; Kilner, Colin; Norcross, Neil R.; Astles, Peter C. A practical synthesis of (+/-)-alpha-isosparteine from a tetraoxobispidine core. Organic letters 7(21) (2005) 4721-4724
Space group: P b c a
Cell volume: 2579.9
Cell parameters: 8.5596; 11.4819; 26.25; 90; 90; 90;  

COD ID: 1506759
CIF file Formula: - C19 H19 N O2 -
Comments: 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 7(23) (2005) 5293-5296
Space group: P b c a
Cell volume: 3105.2
Cell parameters: 10.162; 11.205; 27.271; 90; 90; 90;  

COD ID: 1506802
CIF file Formula: - C14 H12 N4 O4 S -
Comments: 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 6(6) (2004) 928
Space group: P b c a
Cell volume: 3099
Cell parameters: 8.11; 17.9243; 21.3183; 90; 90; 90;  

COD ID: 1506822
CIF file Formula: - C16 F8 N4 -
Comments: 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 108(11) (2004) 3663
Space group: P b c a
Cell volume: 3047.7
Cell parameters: 10.411; 13.338; 21.948; 90; 90; 90;  

COD ID: 1506840
CIF file Formula: - C12 H52 Al2 N8 O21 P4 -
Comments: 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 108(52) (2004) 20020
Space group: P b c a
Cell volume: 6969.2
Cell parameters: 17.6569; 15.4289; 25.5819; 90; 90; 90;  

COD ID: 1506858
CIF file Formula: - C18 H20 I2 O2 -
Comments: 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 37(22) (2004) 8212
Space group: P b c a
Cell volume: 1879.11
Cell parameters: 8.0944; 13.7017; 16.9431; 90; 90; 90;  

COD ID: 1506862
CIF file Formula: - C62 H124 Cl2 P8 Pd2 Pt2 -
Comments: 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 37(22) (2004) 8204
Space group: P b c a
Cell volume: 15976
Cell parameters: 21.303; 38.332; 19.564; 90; 90; 90;  

COD ID: 1506889
CIF file Formula: - C14 H15 N3 -
Comments: 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 6(3) (2004) 417-420
Space group: P b c a
Cell volume: 2401
Cell parameters: 10.819; 9.869; 22.487; 90; 90; 90;  

COD ID: 1506904
CIF file Formula: - C28 H33 N3 O4 Si -
Comments: Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V. Oxidative rearrangement of imidazoles with dimethyldioxirane. Organic letters 6(5) (2004) 735-738
Space group: P b c a
Cell volume: 5519.3
Cell parameters: 14.8764; 13.5218; 27.438; 90; 90; 90;  

COD ID: 1506935
CIF file Formula: - C26 H31 N Si -
Comments: Yagi, Kazunari; Shinokubo, Hiroshi; Oshima, Koichiro Synthesis of silyl aziridines and alpha-amino acylsilanes with silyldibromomethyllithium. Organic letters 6(23) (2004) 4339-4341
Space group: P b c a
Cell volume: 4428
Cell parameters: 11.17; 16.42; 24.14; 90; 90; 90;  

COD ID: 1506942
CIF file Formula: - C33 H28 -
Comments: 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 6(23) (2004) 4355-4357
Space group: P b c a
Cell volume: 4624.9
Cell parameters: 8.8482; 17.6806; 29.5631; 90; 90; 90;  

COD ID: 1506991
CIF file Formula: - C37 H42 Cl9 S Sb -
Comments: 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 6(23) (2004) 4179-4182
Space group: P b c a
Cell volume: 7760
Cell parameters: 21.228; 13.527; 27.025; 90; 90; 90;  

COD ID: 1507023
CIF file Formula: - C26 H26 Si2 -
Comments: Xu, Caihong; Wakamiya, Atsushi; Yamaguchi, Shigehiro General silaindene synthesis based on intramolecular reductive cyclization toward new fluorescent silicon-containing pi-electron materials. Organic letters 6(21) (2004) 3707-3710
Space group: P b c a
Cell volume: 2304
Cell parameters: 6.75; 16.542; 20.635; 90; 90; 90;  

COD ID: 1507042
CIF file Formula: - C26 H28 O5 -
Comments: 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 6(19) (2004) 3261-3264
Space group: P b c a
Cell volume: 4377
Cell parameters: 9.7408; 17.4668; 25.7256; 90; 90; 90;  

COD ID: 1507095
CIF file Formula: - C42 H53 N3 O4 S -
Comments: 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 6(12) (2004) 1963-1966
Space group: P b c a
Cell volume: 8037
Cell parameters: 10.646; 18.82; 40.113; 90; 90; 90;  

COD ID: 1507163
CIF file Formula: - C34 H22 B F15 Si2 -
Comments: Liedtke, René; Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard 1,1-carboboration route to substituted naphthalenes. Organic letters 14(6) (2012) 1448-1451
Space group: P b c a
Cell volume: 6839.8
Cell parameters: 13.0955; 18.5015; 28.2301; 90; 90; 90;  

COD ID: 1507164
CIF file Formula: - C36 H26 B F15 Si2 -
Comments: Liedtke, René; Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard 1,1-carboboration route to substituted naphthalenes. Organic letters 14(6) (2012) 1448-1451
Space group: P b c a
Cell volume: 7234.1
Cell parameters: 12.8769; 18.9861; 29.5893; 90; 90; 90;  

COD ID: 1507171
CIF file Formula: - C16 H18 O S -
Comments: Arai, Noriyoshi; Tanaka, Koichiro; Ohkuma, Takeshi Novel Intramolecular Photocyclization of α-Arylthiophene Derivatives. Organic letters 14(6) (2012) 1488-1491
Space group: P b c a
Cell volume: 2682.87
Cell parameters: 8.3435; 13.8536; 23.2107; 90; 90; 90;  

COD ID: 1507241
CIF file Formula: - C19 H20 Cl2 Cu N4 O -
Comments: 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 36(23) (2003) 8584
Space group: P b c a
Cell volume: 3882.1
Cell parameters: 14.036; 16.258; 17.012; 90; 90; 90;  

COD ID: 1507269
CIF file Formula: - C57 H26 Co F15 N5 P -
Comments: 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 5(8) (2003) 1241-1244
Space group: P b c a
Cell volume: 9633
Cell parameters: 25.451; 13.456; 28.128; 90; 90; 90;  

COD ID: 1507328
CIF file Formula: - C13 H15 N O3 -
Comments: Pigge, F. Christopher; Coniglio, John J.; Rath, Nigam P. Oxidative demetalation of cyclohexadienyl ruthenium(II) complexes: a net Ru-mediated dearomatization. Organic letters 5(11) (2003) 2011-2014
Space group: P b c a
Cell volume: 2496.59
Cell parameters: 12.4162; 7.6844; 26.1667; 90; 90; 90;  

COD ID: 1507333
CIF file Formula: - C38 H24 -
Comments: Deaton, Kimberly R.; Gin, Mary S. Regioselective [2 + 2 + 2] cycloaddition of a nickel-benzyne complex with 1,3-diynes. Organic letters 5(14) (2003) 2477-2480
Space group: P b c a
Cell volume: 5307
Cell parameters: 16.252; 15.611; 20.917; 90; 90; 90;  

COD ID: 1507345
CIF file Formula: - C32 H26 F12 N4 -
Comments: 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 5(16) (2003) 2845-2848
Space group: P b c a
Cell volume: 5856.3
Cell parameters: 22.7324; 9.6336; 26.7417; 90; 90; 90;  

COD ID: 1507368
CIF file Formula: - C19 H25 N O5 -
Comments: 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 5(18) (2003) 3309-3312
Space group: P b c a
Cell volume: 3512
Cell parameters: 12.774; 10.955; 25.097; 90; 90; 90;  

COD ID: 1507380
CIF file Formula: - C17 H24 N2 O2 -
Comments: 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 5(20) (2003) 3759-3762
Space group: P b c a
Cell volume: 3161.16
Cell parameters: 16.862; 11.0458; 16.9723; 90; 90; 90;  

COD ID: 1507520
CIF file Formula: - C13 H12 O3 -
Comments: Harmata, Michael; Rashatasakhon, Paitoon A 4 + 3 Cycloaddition Approach to the Synthesis of Spatol. A Formal Total Synthesis of Racemic Spatol Organic Letters 3(16) (2001) 2533
Space group: P b c a
Cell volume: 1999.81
Cell parameters: 8.1348; 12.0317; 20.4322; 90; 90; 90;  

COD ID: 1507536
CIF file Formula: - C17 H21 N O4 S -
Comments: 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 3(21) (2001) 3405
Space group: P b c a
Cell volume: 3342.9
Cell parameters: 43.138; 9.07; 8.544; 90; 90; 90;  

COD ID: 1507613
CIF file Formula: - C14 H15 N O5 S -
Comments: 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 14(9) (2012) 2234-2237
Space group: P b c a
Cell volume: 2773.52
Cell parameters: 11.0852; 7.9804; 31.3518; 90; 90; 90;  

COD ID: 1507641
CIF file Formula: - C7 H6 Br N O -
Comments: 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 14(9) (2012) 2362-2365
Space group: P b c a
Cell volume: 1440.4
Cell parameters: 10.8222; 9.7805; 13.6084; 90; 90; 90;  

COD ID: 1507644
CIF file Formula: - C22 H22 O5 -
Comments: 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 14(9) (2012) 2410-2413
Space group: P b c a
Cell volume: 3675.52
Cell parameters: 8.28074; 10.78047; 41.173; 90; 90; 90;  

COD ID: 1507689
CIF file Formula: - C32 H44 B N5 O -
Comments: 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 14(11) (2012) 2690-2693
Space group: P b c a
Cell volume: 6143.7
Cell parameters: 15.4372; 18.7975; 21.1721; 90; 90; 90;  

COD ID: 1507733
CIF file Formula: - C24 H33 N3 O2 -
Comments: Yagishita, Fumitoshi; Mino, Takashi; Fujita, Tsutomu; Sakamoto, Masami Two-step asymmetric reaction using the frozen chirality generated by spontaneous crystallization. Organic letters 14(10) (2012) 2638-2641
Space group: P b c a
Cell volume: 4310.5
Cell parameters: 10.132; 15.1023; 28.17; 90; 90; 90;  

COD ID: 1507887
CIF file Formula: - C21 H25 N2 O4 -
Comments: 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 14(13) (2012) 3506-3509
Space group: P b c a
Cell volume: 4013
Cell parameters: 12.321; 14.075; 23.143; 90; 90; 90;  

COD ID: 1507889
CIF file Formula: - C23 H22 Br N O3 S -
Comments: Yin, Qin; You, Shu-Li Intramolecular alkene electrophilic bromination initiated ipso-bromocyclization for the synthesis of functionalized azaspirocyclohexadienones. Organic letters 14(13) (2012) 3526-3529
Space group: P b c a
Cell volume: 4139
Cell parameters: 13.4194; 11.6002; 26.589; 90; 90; 90;  

COD ID: 1508046
CIF file Formula: - C37 H57 Fe P3 Si -
Comments: 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 2(7) (2010) 558-565
Space group: P b c a
Cell volume: 7113.1
Cell parameters: 16.0034; 17.018; 26.118; 90; 90; 90;  

COD ID: 1508047
CIF file Formula: - C68 H66 B F24 Fe N2 P3 Si -
Comments: 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 2(7) (2010) 558-565
Space group: P b c a
Cell volume: 14085.8
Cell parameters: 26.3222; 19.5893; 27.3174; 90; 90; 90;  

COD ID: 1508048
CIF file Formula: - C36 H54 Fe N2 P3 Si -
Comments: 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 2(7) (2010) 558-565
Space group: P b c a
Cell volume: 7049
Cell parameters: 16.085; 17.133; 25.58; 90; 90; 90;  

COD ID: 1508220
CIF file Formula: - C20 H22 Cu N3 Na O5 S -
Comments: 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 390 (2012) 53-60
Space group: P b c a
Cell volume: 4314.1
Cell parameters: 13.1161; 13.6814; 24.0413; 90; 90; 90;  

COD ID: 1508427
CIF file Formula: - C7 H15 N7 -
Comments: Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig 1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates Crystals 2(1) (2012) 96-104
Space group: P b c a
Cell volume: 1907.73
Cell parameters: 5.9696; 16.7493; 19.0799; 90; 90; 90;  

COD ID: 1508624
CIF file Formula: - C17 H16 N2 O2 -
Comments: 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 14(17) (2012) 4580-4583
Space group: P b c a
Cell volume: 2883.54
Cell parameters: 15.5606; 9.0491; 20.4783; 90; 90; 90;  

COD ID: 1508643
CIF file Formula: - C27 H20 B N O S -
Comments: Kubota, Yasuhiro; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki Synthesis and fluorescence properties of thiazole-boron complexes bearing a β-ketoiminate ligand. Organic letters 14(17) (2012) 4682-4685
Space group: P b c a
Cell volume: 4410.5
Cell parameters: 9.42; 22.286; 21.009; 90; 90; 90;  

COD ID: 1508663
CIF file Formula: - C19 H15 F N2 O4 -
Comments: Smith, Donna L.; Chidipudi, Suresh Reddy; Goundry, William R.; Lam, Hon Wai Rhodium-catalyzed [2 + 2] cycloaddition of ynamides with nitroalkenes. Organic letters 14(18) (2012) 4934-4937
Space group: P b c a
Cell volume: 3293.29
Cell parameters: 11.0313; 9.5234; 31.3481; 90; 90; 90;  

COD ID: 1508683
CIF file Formula: - C20 H22 O3 -
Comments: 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 14(19) (2012) 5114-5117
Space group: P b c a
Cell volume: 3438
Cell parameters: 9.3; 18.67; 19.8; 90; 90; 90;  

COD ID: 1508686
CIF file Formula: - C17 H23 Cl N2 O5 S -
Comments: Zhou, Jing; Zhou, Ling; Yeung, Ying-Yeung Multicomponent approach in the synthesis of 2,2,6-trisubstituted morpholine derivatives. Organic letters 14(20) (2012) 5250-5253
Space group: P b c a
Cell volume: 3737.1
Cell parameters: 11.4136; 11.557; 28.331; 90; 90; 90;  

COD ID: 1508753
CIF file Formula: - C18 H21 N O3 S -
Comments: 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 14(21) (2012) 5582-5585
Space group: P b c a
Cell volume: 3226.7
Cell parameters: 20.4027; 7.1468; 22.129; 90; 90; 90;  

COD ID: 1508870
CIF file Formula: - C27 H33 N O7 -
Comments: 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 15(2) (2013) 350-353
Space group: P b c a
Cell volume: 4940.8
Cell parameters: 19.1983; 10.9762; 23.4467; 90; 90; 90;  

COD ID: 1508884
CIF file Formula: - C16 H17 N O2 S2 -
Comments: 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 15(3) (2013) 550-553
Space group: P b c a
Cell volume: 3282
Cell parameters: 7.861; 9.93; 42.05; 90; 90; 90;  

COD ID: 1508885
CIF file Formula: - C13 H13 N O2 S -
Comments: 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 15(3) (2013) 550-553
Space group: P b c a
Cell volume: 2428
Cell parameters: 8.132; 12.907; 23.129; 90; 90; 90;  

COD ID: 1508902
CIF file Formula: - C12 H10 N4 O -
Comments: 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 15(3) (2013) 642-645
Space group: P b c a
Cell volume: 2268.75
Cell parameters: 7.5741; 13.7438; 21.7946; 90; 90; 90;  

COD ID: 1508958
CIF file Formula: - C26 H24 N O2 P S -
Comments: 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 15(4) (2013) 932-935
Space group: P b c a
Cell volume: 4359
Cell parameters: 11.06; 18.268; 21.576; 90; 90; 90;  

COD ID: 1509291
CIF file Formula: - Ag Cu O4 P -
Comments: Oumba, M.T.; Quarton, M. Proprietes de l'ion Cu2+ dans la structure de Ag Cu P O4 - beta Materials Research Bulletin 18 (1983) 967-974
Space group: P b c a
Cell volume: 673.592
Cell parameters: 7.5; 15.751; 5.702; 90; 90; 90;  

COD ID: 1509320
CIF file Formula: - Ag F2 -
Comments: 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 32 (1971) 543-550
Space group: P b c a
Cell volume: 163.047
Cell parameters: 5.073; 5.529; 5.813; 90; 90; 90;  

COD ID: 1509321
CIF file Formula: - Ag F2 -
Comments: 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 588 (1990) 77-83
Space group: P b c a
Cell volume: 165.614
Cell parameters: 5.568; 5.831; 5.101; 90; 90; 90;  

COD ID: 1509346
CIF file Formula: - Ag Ga P2 Se6 -
Comments: 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. 186 (1992) 111-133
Space group: P b c a
Cell volume: 2044.67
Cell parameters: 12.169; 22.484; 7.473; 90; 90; 90;  

COD ID: 1509468
CIF file Formula: - Ag N O3 -
Comments: 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
Space group: P b c a
Cell volume: 518.642
Cell parameters: 6.995; 7.328; 10.118; 90; 90; 90;  

COD ID: 1509622
CIF file Formula: - Ag11 K O16 V4 -
Comments: Jansen, M.; Kovalevskiy, A. Synthesis and crystal structure analysis of K Ag11 (V O4)4 Zeitschrift fuer Anorganische und Allgemeine Chemie 632 (2006) 413-436
Space group: P b c a
Cell volume: 1853.01
Cell parameters: 16.5328; 10.6286; 10.5452; 90; 90; 90;  

COD ID: 1510264
CIF file Formula: - Au O4 S -
Comments: Wickleder, M.S. Au S O4 : a true gold(II) sulfate with Au2(4+) ion Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 2112-2114
Space group: P b c a
Cell volume: 705.983
Cell parameters: 8.549; 8.249; 10.011; 90; 90; 90;  

COD ID: 1510306
CIF file Formula: - Au Sn2 -
Comments: Schubert, K.; Gohle, R.; Breimer, H. Zum Aufbau der Systeme Gold-Indium, Gold-Zinn, Gold-Indium Zinn uns Gold-Zinn-Antimon Zeitschrift fuer Metallkunde 50 (1959) 146-153
Space group: P b c a
Cell volume: 573.165
Cell parameters: 6.909; 7.037; 11.789; 90; 90; 90;  

COD ID: 1510484
CIF file Formula: - Au3 Ca7 -
Comments: 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 59 (1985) 65-70
Space group: P b c a
Cell volume: 2493.4
Cell parameters: 20.742; 18.036; 6.665; 90; 90; 90;  

COD ID: 1510986
CIF file Formula: - B2 Cl4 -
Comments: Atoji, M.; Wheatley, P.J.; Lipscomb, W.N. Molecular Structure of Diborane Tetrachloride, B2 Cl4 Journal of Chemical Physics 23 (1955) 1176-1176
Space group: P b c a
Cell volume: 574.781
Cell parameters: 11.9; 6.281; 7.69; 90; 90; 90;  

COD ID: 1511036
CIF file Formula: - B Ce3 O10 Si2 -
Comments: Grossholz, H.; Mueller-Bunz, H.; Schleid, T. Einkristalle des Cer(III)-Borosilicats Ce3 (B Si O6) (Si O4) Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 1436-1438
Space group: P b c a
Cell volume: 1661.2
Cell parameters: 9.9007; 7.2036; 23.292; 90; 90; 90;  

COD ID: 1511039
CIF file Formula: - B Cl Mg2 N2 -
Comments: 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 630 (2004) 1015-1021
Space group: P b c a
Cell volume: 684.668
Cell parameters: 6.6139; 9.766; 10.6; 90; 90; 90;  

COD ID: 1511168
CIF file Formula: - B Gd3 O10 Si2 -
Comments: 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 17 (1998) 297-301
Space group: P b c a
Cell volume: 1527.41
Cell parameters: 9.63; 6.959; 22.792; 90; 90; 90;  

COD ID: 1511177
CIF file Formula: - B Ge1.08 Nd3 O10 Si0.92 -
Comments: 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 110 (1994) 384-388
Space group: P b c a
Cell volume: 1644.98
Cell parameters: 9.845; 7.146; 23.382; 90; 90; 90;  

COD ID: 1511464
CIF file Formula: - B Ca Li O3 -
Comments: 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 177 (2004) 1111-1116
Space group: P b c a
Cell volume: 494.523
Cell parameters: 13.227; 6.1675; 6.062; 90; 90; 90;  

COD ID: 1511482
CIF file Formula: - B4 Mn O7 -
Comments: Bernstein, J.L.; Sherwood, R.C.; Gibart, P.; Abrahams, S.C. Manganese diborate. Crystal structure, magnetization, and thermal extinction dependence Journal of Chemical Physics 60 (1974) 1899-1905
Space group: P b c a
Cell volume: 975.068
Cell parameters: 8.62354; 14.0071; 8.07237; 90; 90; 90;  

COD ID: 1511539
CIF file Formula: - B5 Cs O8 -
Comments: 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 161 (2001) 205-213
Space group: P b c a
Cell volume: 1569.88
Cell parameters: 8.697; 8.431; 21.41; 90; 90; 90;  

COD ID: 1511545
CIF file Formula: - B5 Ho2 Ni10 -
Comments: Zavalii, P.Yu.; Bruskov, V.A.; Kuz'ma, Yu.B.; Gubich, I.B. A new type of Ho2Ni10B5 boride structure Kristallografiya 36 (1991) 490-491
Space group: P b c a
Cell volume: 1500.3
Cell parameters: 17.588; 9.001; 9.477; 90; 90; 90;  

COD ID: 1511550
CIF file Formula: - B5 Mg Na3 O10 -
Comments: 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 9 (2007) 678-685
Space group: P b c a
Cell volume: 1750.98
Cell parameters: 7.838; 12.288; 18.18; 90; 90; 90;  

COD ID: 1511554
CIF file Formula: - B5 O8 Rb -
Comments: 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 161 (2001) 205-213
Space group: P b c a
Cell volume: 1326.59
Cell parameters: 7.553; 11.857; 14.813; 90; 90; 90;  

COD ID: 1511654
CIF file Formula: - B4 Co O7 -
Comments: Taylor, N.J.; Rowsell, J.L.C.; Nazar, L.F. Crystallographic investigation of the Co - B - O system Journal of Solid State Chemistry 174 (2003) 189-197
Space group: P b c a
Cell volume: 961.494
Cell parameters: 8.1189; 8.621; 13.737; 90; 90; 90;  

COD ID: 1511830
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P b c a
Cell volume: 1549.7
Cell parameters: 9.676; 16.2; 9.8866; 90; 90; 90;  

COD ID: 1511831
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P b c a
Cell volume: 1519.3
Cell parameters: 9.66; 16.126; 9.753; 90; 90; 90;  

COD ID: 1511832
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P b c a
Cell volume: 1507.1
Cell parameters: 9.676; 16.179; 9.627; 90; 90; 90;  

COD ID: 1511833
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P b c a
Cell volume: 1471.2
Cell parameters: 9.634; 16.132; 9.466; 90; 90; 90;  

COD ID: 1511834
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P b c a
Cell volume: 1456.2
Cell parameters: 9.637; 16.135; 9.365; 90; 90; 90;  

COD ID: 1511865
CIF file Formula: - C23 H24 O2 -
Comments: 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 15(7) (2013) 1500
Space group: P b c a
Cell volume: 3702.2
Cell parameters: 17.444; 8.121; 26.134; 90; 90; 90;  

COD ID: 1511881
CIF file Formula: - C22 H14 O -
Comments: 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 15(8) (2013) 1806-1809
Space group: P b c a
Cell volume: 2863.7
Cell parameters: 9.652; 14.2244; 20.858; 90; 90; 90;  

COD ID: 1511888
CIF file Formula: - C27 H33 Br N2 O4 S -
Comments: 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 15(7) (2013) 1564
Space group: P b c a
Cell volume: 5445.4
Cell parameters: 9.5282; 21.6974; 26.3399; 90; 90; 90;  

COD ID: 1511931
CIF file Formula: - C22 H15 N5 -
Comments: Wang, Xiang; Wang, Shun-Yi; Ji, Shun-Jun Isocyanide-based multicomponent reactions: catalyst-free stereoselective construction of polycyclic spiroindolines. Organic letters 15(8) (2013) 1954-1957
Space group: P b c a
Cell volume: 3482
Cell parameters: 16.283; 10.98; 19.477; 90; 90; 90;  

COD ID: 1511936
CIF file Formula: - C19 H14 O4 -
Comments: Xiong, Yuan; Schaus, Scott E.; Porco, Jr, John A Metal-catalyzed cascade rearrangements of 3-alkynyl flavone ethers. Organic letters 15(8) (2013) 1962-1965
Space group: P b c a
Cell volume: 2970.7
Cell parameters: 11.8949; 8.9065; 28.0405; 90; 90; 90;  

COD ID: 1511937
CIF file Formula: - C7 H7 Cl F3 N3 O -
Comments: 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 15(9) (2013) 2156
Space group: P b c a
Cell volume: 3776.5
Cell parameters: 16.3661; 6.7959; 33.9544; 90; 90; 90;  

COD ID: 1511958
CIF file Formula: - C13 H17 B F4 N2 -
Comments: 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 15(9) (2013) 2194
Space group: P b c a
Cell volume: 2699.5
Cell parameters: 7.8204; 14.892; 23.179; 90; 90; 90;  

COD ID: 1511959
CIF file Formula: - C13 H17 Br N2 -
Comments: 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 15(9) (2013) 2194
Space group: P b c a
Cell volume: 2529.6
Cell parameters: 7.4246; 15.5642; 21.89; 90; 90; 90;  

COD ID: 1512038
CIF file Formula: - C11 H8 N2 O -
Comments: 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 15(11) (2013) 2616-2619
Space group: P b c a
Cell volume: 3481.52
Cell parameters: 14.7579; 10.3799; 22.7275; 90; 90; 90;  

COD ID: 1512040
CIF file Formula: - C17 H12 N2 O -
Comments: 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 15(11) (2013) 2616-2619
Space group: P b c a
Cell volume: 2528.76
Cell parameters: 13.8283; 7.4374; 24.5877; 90; 90; 90;  

COD ID: 1512103
CIF file Formula: - C25 H20 N2 O3 -
Comments: Lin, Chi-Hui; Yang, Ding-Yah Synthesis of coumarin/pyrrole-fused heterocycles and their photochemical and redox-switching properties. Organic letters 15(11) (2013) 2802-2805
Space group: P b c a
Cell volume: 3993.4
Cell parameters: 18.1208; 7.9048; 27.8786; 90; 90; 90;  

COD ID: 1512113
CIF file Formula: - C20 H15 N3 O -
Comments: Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones. Organic letters 15(11) (2013) 2842-2845
Space group: P b c a
Cell volume: 2987.92
Cell parameters: 11.6161; 8.1844; 31.4284; 90; 90; 90;  

COD ID: 1512130
CIF file Formula: - C16 H15 N O4 -
Comments: 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 117(27) (2013) 14130
Space group: P b c a
Cell volume: 2504.2
Cell parameters: 7.707; 13.875; 23.418; 90; 90; 90;  

COD ID: 1512137
CIF file Formula: - C15 H20 O S2 Si2 -
Comments: 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 117(33) (2013) 16759
Space group: P b c a
Cell volume: 3711.9
Cell parameters: 6.9752; 21.458; 24.8; 90; 90; 90;  

COD ID: 1512216
CIF file Formula: - C30 H27 N O4 -
Comments: Gicquel, Maxime; Gomez, Catherine; Retailleau, Pascal; Voituriez, Arnaud; Marinetti, Angela Synthesis of 3,3'-Spirocyclic Oxindoles via Phosphine Catalyzed [4 + 2] Cyclizations. Organic letters 15(15) (2013) 4002-4005
Space group: P b c a
Cell volume: 5080.4
Cell parameters: 9.1775; 16.572; 33.404; 90; 90; 90;  

COD ID: 1512222
CIF file Formula: - C16 H14 Cl2 N2 O2 -
Comments: Trita, Andrada Stefania; Roisnel, Thierry; Mongin, Florence; Chevallier, Floris Hydrogen Bond Templated 1:1 Macrocyclization through an Olefin Metathesis/Hydrogenation Sequence Organic Letters 15(14) (2013) 3798
Space group: P b c a
Cell volume: 3295.4
Cell parameters: 16.173; 11.469; 17.766; 90; 90; 90;  

COD ID: 1512236
CIF file Formula: - C18 H24 Pd -
Comments: 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 15(16) (2013) 4210-4213
Space group: P b c a
Cell volume: 2962.6
Cell parameters: 10.2819; 14.7015; 19.599; 90; 90; 90;  

COD ID: 1512256
CIF file Formula: - C12 H15 N3 O S -
Comments: 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 117(36) (2013) 10414-10429
Space group: P b c a
Cell volume: 2596.97
Cell parameters: 8.6335; 14.1307; 21.2871; 90; 90; 90;  


Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.