Crystallography Open Database

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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;  


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