Crystallography Open Database
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Searching space group like 'P b c a'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1100635 | CIF | C90 H84 N3 P3 Yb2 | P b c a | 27.276; 19.7754; 28.4888 90; 90; 90 | 15366.7 | Anfang, S.; Gröb, T.; Harms, K.; Seybert, G.; Massa, W.; Greiner, A.; Dehnicke, K. Phosphaniminato-Komplexe von Seltenerdelementen. Die Kristallstrukturen von [Yb~2~Cp~3~(NPPh~3~)~3~], [YCp(NPPh~3~)(μ-OSiMe~2~NPPh~3~)]~2~ und [M(NPPh~3~)~2~(μ-OSiMe~2~NPPh~3~)]~2~ mit M = Y und Sm Zeitschrift fuer Anorganische und Allgemeine Chemie, 1999, 625, 1853-1859 |
| 1100649 | CIF | C15 H14 F3 N3 | P b c a | 15.625; 23.028; 7.685 90; 90; 90 | 2765 | Chizuru, Sasaki; Soh-ichi, Kitoh; Kazuya, Yamada; Ko-Ki, Kunimoto; Shiro, Maeda; Akio, Kuwae; Kazuhiko, Hanai Crystal Structure of 2-Trifluoromethyl-4'-dimethylaminoazobenzene Analytical Sciences: X-ray Structure Analysis Online, 2003, 19, x1-x2 |
| 1100664 | CIF | C14 H12 O2 | P b c a | 5.882; 12.104; 30.58 90; 90; 90 | 2177.2 | Mahendra, M.; Doreswamy, B. H.; Khanum, S. A.; Shashikanth, S.; Sudha, B. S.; Sridhar, M. A.; Prasad, J. S. Synthesis and Crystal Structure of (2-Hydroxy-5-methyl phenyl)phenyl Methanone Analytical Sciences: X-ray Structure Analysis Online, 2003, 19, x29-x30 |
| 1100684 | CIF | C16 H14 O2 | P b c a | 6.3805; 15.624; 24.778 90; 90; 90 | 2470 | Kitamura, Chitoshi; Fujimoto, Jun; Ouchi, Mikio; Yoneda, Akio Crystal Structure of 1,4-Dimethoxyanthracene Analytical Sciences: X-ray Structure Analysis Online, 2003, 19, x69-x70 |
| 1100770 | CIF | C6 H8 N Ni O5 P | P b c a | 8.798; 10.1982; 17.945 90; 90; 90 | 1610.1 | Deng-Ke Cao; Yi-Zhi Li; You Song; Li-Min Zheng Three-, Two-, and One-Dimensional Metal Phosphonates Based on [Hydroxy(4-pyridyl)methyl]phosphonate: M{(4-C5H4N)CH(OH)PO3}(H2O) (M = Ni, Cd) and Gd{(4-C5H4N)CH(OH)P(OH)O2}3.6H2O Inorganic Chemistry, 2005, 44, 3599-3604 |
| 1100831 | CIF | C32 H46 Au N | P b c a | 17.2772; 18.3213; 18.6586 90; 90; 90 | 5906.21 | Schuster, Oliver; Schmidbaur, Hubert Preparative Routes to the First Tri- and Tetra(alkynyl)gold(III) Compounds: (L)Au(C⋮CR) <sub>3</sub> and [ER <sub>4</sub> ] <sup>+</sup> [Au(C⋮CR) <sub>4</sub> ] <sup>-</sup> Organometallics, 2005, 24, 2289-2296 |
| 1100850 | CIF | C24.5 H43.84 B5 Cl3 Ru2 S | P b c a | 22.027; 12.4145; 23.813 90; 90; 90 | 6511.5 | Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C. Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~ Organometallics, 2005, 24, 2473-2480 |
| 1100961 | CIF | C28 H46 Fe P2 | P b c a | 17.9931; 15.2837; 20.2132 90; 90; 90 | 5558.7 | Eric J. Hawrelak; Wesley H. Bernskoetter; Emil Lobkovsky; Gordon T. Yee; Eckhard Bill; Paul J. Chirik Square Planar vs Tetrahedral Geometry in Four Coordinate Iron(II) Complexes Inorganic Chemistry, 2005, 44, 3103-3111 |
| 1101053 | CIF | K2 Mo4 O13 | P b c a | 7.5479; 15.391; 18.527 90; 90; 90 | 2152.3 | Kazuo Eda; Kin Chin; Noriyuki Sotani; M. Stanley Whittingham Journal of Solid State Chemistry |
| 1101073 | CIF | C20 H20 Cu2 N16 O8 | P b c a | 10.2473; 16.1318; 16.2087 90; 90; 90 | 2679.4 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; José A. Dobado; José Molina Molina; Manuel G. Basallote; M. Ángeles Máñez European Journal of Inorganic Chemistry, 2002, 811-818 |
| 1101084 | CIF | C34 H26 Cl2 N12 O12 Pd2 | P b c a | 15.468; 20.652; 25.162 90; 90; 90 | 8038 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas Solution and solid state coexistence of head‒head and head‒tail isomers in dimeric Pd(II) and Pt(II) complexes of the type [M2(a‒a)2(µ-L-N3N4)2]2+ with a bridging triazolopyrimidine ligand and chelating bidentate diamines J. Chem. Soc., Dalton Trans., 2002, 4740-4745 |
| 1101123 | CIF | C10 H16 Cl2 Cu N4 O4 | P b c a | 14.045; 11.749; 19.701 90; 90; 90 | 3251 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrato bridged-mercury(II) complex. Polyhedron, 1998, 17, 3409-3418 |
| 1101130 | CIF | C16 H16 Au Br4 N8 Na O4 | P b c a | 15.2488; 15.238; 21.563 90; 90; 90 | 5010.5 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas Gold(III)-pteridine compounds: synthesis, spectral, and X-ray diffraction stuides on new adducts between sodium tetrabromoaurate(III) and lumazine derivatives Journal of Chemical Cristallography, 1998, 28, 565-570 |
| 1200001 | CIF | C14 H17 N O4 S | P b c a | 15.9407; 9.1737; 19.015 90; 90; 90 | 2780.7 | Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides Acta Crystallographica, Section C, 2001, 57, 1454-1456 |
| 1500007 | CIF | C8 H32 Br4 Cd Cl4 Co2 N8 | P b c a | 18.6201; 12.0872; 24.0877 90; 90; 90 | 5421.3 | Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós Second sphere coordination complexes via hydrogen bonding: Synthesis, spectroscopic characterisation of [trans-Co(en)~2~Cl~2~]CdX~4~ (X = Br or I) and single crystal X-ray structure determination of [trans-Co(en)~2~Cl~2~]CdBr~4~ Journal of Molecular Structure, 2006, 794, 341-347 |
| 1500011 | CIF | C24 H29 Cl2 Co N9 O12 | P b c a | 14.9599; 19.0064; 23.4883 90; 90; 90 | 6678.5 | Sonia B. Jiménez-Pulido; Fátima M. Linares-Ordoñez; José M. Martínez-Martos; Miguel N. Moreno-Carretero; Miguel Quirós; María J. Ramírez-Expósito Metal complexes with the ligand derived from 6-acetyl-1,3,7-trimethyllumazine and benzohydrazide. Molecular structures of two new Co(II) and Rh(III) complexes and analysis of in vitro antitumor activity Journal of Inorganic Biochemistry, 2008, 102, 1677-1683 |
| 1500019 | CIF | C13 H11 N O2 | P b c a | 9.4668; 8.8177; 25.9413 90; 90; 90 | 2165.5 | Maria Lalia Kantouri; Christos D. Papadopoulos; Antonios G. Hatzdimitriou; Miguel Quirós Synthesis and characterization of new Co(III) mixed-ligand complexes, containing 2-hydroxy-aryloximes and α-diimines. Crystal and molecular strucutre of [Co(saox)(bipy)~2~]Br Polyhedron, 2007, 26, 1292-1302 |
| 1500040 | CIF | C7 H10 Ag Cl N2 | P b c a | 16.33228; 16.2155; 7.24228 90; 90; 90 | 1918.02 | Al-Ktaifani, M. M.; Rukiah, M. K.; Shaaban, A. K. Synthesis and Solid State Characterization of Organometallic Polymer of Ag(I) Using 2,2-Dimethyl-1,3-diisocyano Propane Ligand Pol.J.Chem., 2008, 82, 547-557 |
| 1501558 | CIF | C7 H12 Ag F3 O2 S2 | P b c a | 7.6138; 16.0573; 19.894 90; 90; 90 | 2432.2 | Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris Influence of the counteranion on silver(I)-dithioether coordination polymers Polyhedron, 2010, 29, 2966-2975 |
| 1501708 | CIF | C10 H13 N3 O2 S | P b c a | 11.0859; 13.0805; 15.8132 90; 90; 90 | 2293.06 | Farrugia, Louis J.; Khalaji, Aliakbar Dehno Evidence for side-chain π-delocalization in a planar substituted benzene: an experimental and theoretical charge density study on 2,5-dimethoxybenzaldehyde thiosemicarbazone. The journal of physical chemistry. A, 2011, 115, 12512-12522 |
| 1501759 | CIF | C10 H16 N6 O4 | P b c a | 16.138; 7.0036; 22.75 90; 90; 90 | 2571.3 | Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes. The journal of physical chemistry. A, 2011, 115, 10087-10096 |
| 1501785 | CIF | C20 H11 Cl2 N2 Ti | P b c a | 14.606; 12.1974; 20.733 90; 90; 90 | 3693.69 | Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems Macromolecules, 2011, 44, 1986 |
| 1501850 | CIF | C44 H40 N4 Ni | P b c a | 15.338; 13.793; 15.4883 90; 90; 90 | 3276.7 | Sarma, Tridib; Panda, Pradeepta K.; Anusha, P. T.; Rao, S. Venugopal Dinaphthoporphycenes: synthesis and nonlinear optical studies. Organic letters, 2011, 13, 188-191 |
| 1501862 | CIF | C22 H6 B F15 O | P b c a | 14.2119; 16.668; 18.1682 90; 90; 90 | 4303.75 | Chen, Chao; Voss, Tanja; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard 1,1-carboboration of 1-alkynes: a conceptual alternative to the hydroboration reaction. Organic letters, 2011, 13, 62-65 |
| 1501881 | CIF | C31 H27 N3 O3 | P b c a | 18.5834; 25.3538; 32.657 90; 90; 90 | 15386.7 | Dial, Brent E.; Rasberry, Roger D.; Bullock, Brooke N.; Smith, Mark D.; Pellechia, Perry J.; Profeta, Jr, Salvatore; Shimizu, Ken D. Guest-accelerated molecular rotor. Organic letters, 2011, 13, 244-247 |
| 1501969 | CIF | C35 H38 Cl N O2 | P b c a | 10.9327; 19.6472; 27.9312 90; 90; 90 | 5999.5 | Cohen, Daniel T.; Cardinal-David, Benoit; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A. NHC-catalyzed/titanium(IV)-mediated highly diastereo- and enantioselective dimerization of enals. Organic letters, 2011, 13, 1068-1071 |
| 1502038 | CIF | C24 H22 N2 O3 | P b c a | 15.6502; 13.1606; 37.823 90; 90; 90 | 7790.3 | Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties. Organic letters, 2011, 13, 1658-1661 |
| 1502065 | CIF | C27 H20 N2 S | P b c a | 7.3583; 20.2268; 28.3714 90; 90; 90 | 4222.65 | Murai, Toshiaki; Hori, Fumihiko; Maruyama, Toshifumi Intramolecular cyclization of in situ generated adducts formed between thioamide dianions and thioformamides leading to generation of 5-amino-2-thiazolines and 5-aminothiazoles, and their fluorescence properties. Organic letters, 2011, 13, 1718-1721 |
| 1502084 | CIF | C13 H15 N O2 | P b c a | 11.542; 12.157; 15.623 90; 90; 90 | 2192.2 | Kulyk, Svitlana; Dougherty, Jr, William G; Kassel, W. Scott; Zdilla, Michael J.; Sieburth, Scott McN Intramolecular pyridone/enyne photocycloaddition: partitioning of the [4 + 4] and [2 + 2] pathways. Organic letters, 2011, 13, 2180-2183 |
| 1502086 | CIF | C18 H26 O | P b c a | 19.6684; 6.0152; 26.14 90; 90; 90 | 3092.6 | Rendina, Victor L.; Moebius, David C.; Kingsbury, Jason S. An enantioselective synthesis of 2-aryl cycloalkanones by Sc-catalyzed carbon insertion. Organic letters, 2011, 13, 2004-2007 |
| 1502090 | CIF | C25 H27 F3 N2 O2 S Si | P b c a | 8.2616; 18.2223; 34.406 90; 90; 90 | 5179.7 | Garcia, Pierre; Evanno, Yannick; George, Pascal; Sevrin, Mireille; Ricci, Gino; Malacria, Max; Aubert, Corinne; Gandon, Vincent Regioselective cobalt-catalyzed formation of bicyclic 3- and 4-aminopyridines. Organic letters, 2011, 13, 2030-2033 |
| 1502119 | CIF | C16 H17 N3 | P b c a | 13.2943; 7.4099; 27.6216 90; 90; 90 | 2721 | Kumar, Rapolu Kiran; Ali, Md Ashif; Punniyamurthy, Tharmalingam Pd-catalyzed C-H activation/C-N bond formation: a new route to 1-aryl-1H-benzotriazoles. Organic letters, 2011, 13, 2102-2105 |
| 1502379 | CIF | C11 H10 Br2 N4 O2 | P b c a | 14.934; 9.5657; 17.7739 90; 90; 90 | 2539.08 | Hewlett, Nicole M.; Tepe, Jetze J. Total synthesis of the natural product (±)-dibromophakellin and analogues. Organic letters, 2011, 13, 4550-4553 |
| 1502387 | CIF | C14 H13 N3 | P b c a | 12.771; 9.914; 18.545 90; 90; 90 | 2348 | Shen, Hao; Wang, Yang; Xie, Zuowei Ti-amide catalyzed synthesis of cyclic guanidines from di-/triamines and carbodiimides. Organic letters, 2011, 13, 4562-4565 |
| 1502458 | CIF | C23 H27 N O2 | P b c a | 9.2396; 14.8406; 27.0972 90; 90; 90 | 3715.6 | Sladojevich, Filippo; Michaelides, Iacovos N.; Benjamin, Darses; Ward, John W.; Dixon, Darren J. Expedient Route to the functionalized calyciphylline A-type skeleton via a Michael addition-RCM strategy. Organic letters, 2011, 13, 5132-5135 |
| 1502473 | CIF | C34 H34 N2 O2 S | P b c a | 13.1485; 16.858; 25.981 90; 90; 90 | 5758.9 | Cheng, Jiajia; Jiang, Xuefeng; Ma, Shengming Palladium-catalyzed approach to stereodefined ten-membered cycles from 1,5-bisallenes. Organic letters, 2011, 13, 5200-5203 |
| 1502474 | CIF | C31 H37 Br2 N O4 | P b c a | 15.4711; 9.7718; 39.174 90; 90; 90 | 5922.3 | Cheng, Jiajia; Jiang, Xuefeng; Ma, Shengming Palladium-catalyzed approach to stereodefined ten-membered cycles from 1,5-bisallenes. Organic letters, 2011, 13, 5200-5203 |
| 1502561 | CIF | C19 H24 O5 | P b c a | 10.1514; 18.0417; 18.4086 90; 90; 90 | 3371.5 | Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A. Total synthesis of norcembrenolide B and scabrolide D. Organic letters, 2011, 13, 5854-5857 |
| 1502595 | CIF | C19 H21 N O2 | P b c a | 7.889; 17.297; 22.433 90; 90; 90 | 3061.1 | Chun, Yu Sung; Lee, Jun Hee; Kim, Ju Hyun; Ko, Young Ok; Lee, Sang-gi Tandem one-pot synthesis of polysubstituted pyridines using the Blaise reaction intermediate and 1,3-enynes. Organic letters, 2011, 13, 6390-6393 |
| 1502613 | CIF | C18 H20 N2 O2 | P b c a | 7.8221; 14.5983; 27.4837 90; 90; 90 | 3138.3 | Yagishita, Fumitoshi; Sakamoto, Masami; Mino, Takashi; Fujita, Tsutomu Asymmetric intramolecular cyclobutane formation via photochemical reaction of N,N-diallyl-2-quinolone-3-carboxamide using a chiral crystalline environment. Organic letters, 2011, 13, 6168-6171 |
| 1502638 | CIF Paper | C25 H15 Br N4 | P b c a | 14.7393; 10.7465; 25.4251 90; 90; 90 | 4027.23 | Thirumurugan, Prakasam; Nandakumar, A.; Muralidharan, D.; Perumal, Paramasivan T. Simple and Convenient Approach to the Kr€ohnke Pyridine Type Synthesis of Functionalized Indol-3-yl Pyridine Derivatives Using 3-Cyanoacetyl Indole Journal of Combinatorial Chemistry, 2010, 12, 161 |
| 1502675 | CIF | B F3 H3 N | P b c a | 8.0067; 7.9511; 9.2216 90; 90; 90 | 587.07 | Mebs, Stefan; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Hartl, Monika; Daemen, Luke L.; Morgenroth, Wolfgang; Luger, Peter; Paulus, Beate; Lentz, Dieter Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts. The journal of physical chemistry. A, 2010, 114, 10185-10196 |
| 1502729 | CIF | C11 H16 N2 O | P b c a | 11.0135; 10.1491; 19.8528 90; 90; 90 | 2219.09 | Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A, 2010, 114, 10421-10426 |
| 1502760 | CIF | C47 H49 N3 | P b c a | 11.408; 25.189; 28.093 90; 90; 90 | 8073 | Suwa, Kazuya; Otsuki, Joe; Goto, Kei Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines. The journal of physical chemistry. A, 2010, 114, 884-890 |
| 1502778 | CIF | C20 H12 Br2 N2 Ni O2 | P b c a | 10.084; 14.552; 24.36 90; 90; 90 | 3574.6 | Fukumoto, Hiroki; Yamane, Kazuto; Kase, Yumiko; Yamamoto, Takakazu π-Conjugated Poly(aryleneethynylene)s Consisting of Salophen and Ni−Salophen Units in the π-Conjugated Main Chain: Preparation and Chemical Properties Macromolecules, 2010, 43, 10366 |
| 1502897 | CIF | C15 H17 N O3 | P b c a | 9.572; 13.652; 19.809 90; 90; 90 | 2588.6 | DeLorbe, John E.; Lotz, Monica D.; Martin, Stephen F. Concise total synthesis of (+/-)-lycopladine A. Organic letters, 2010, 12, 1576-1579 |
| 1502906 | CIF | C12 H12 Br N O2 | P b c a | 9.9717; 8.8126; 25.5594 90; 90; 90 | 2246.07 | Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Rogers-Evans, Mark; Carreira, Erick M. Synthesis and structural analysis of a new class of azaspiro[3.3]heptanes as building blocks for medicinal chemistry. Organic letters, 2010, 12, 1944-1947 |
| 1502921 | CIF | C17 H28 Cl N2 Rh | P b c a | 10.7478; 12.6636; 26.7573 90; 90; 90 | 3641.82 | Kim, Min; Chang, Sukbok Rhodium(NHC)-catalyzed amination of aryl bromides. Organic letters, 2010, 12, 1640-1643 |
| 1502945 | CIF | C8 H10 B I O4 | P b c a | 9.1721; 14.0916; 16.1791 90; 90; 90 | 2091.14 | Al-Zoubi, Raed M; Hall, Dennis G. Mild silver(I)-mediated regioselective iodination and bromination of arylboronic acids. Organic letters, 2010, 12, 2480-2483 |
| 1502990 | CIF | C8 H12 B12 F12 N8 | P b c a | 17.066; 14.6477; 17.8123 90; 90; 90 | 4452.7 | Shackelford, Scott A.; Belletire, John L.; Boatz, Jerry A.; Schneider, Stefan; Wheaton, Amanda K.; Wight, Brett A.; Ammon, Herman L.; Peryshkov, Dmitry V.; Strauss, Steven H. Bridged heterocyclium dicationic closo-icosahedral perfluoroborane, borane, and carborane salts via aqueous, open-air benchtop synthesis. Organic letters, 2010, 12, 2714-2717 |
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