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 |
|---|---|---|---|---|---|---|
| 1506567 | CIF | C79 Cl9 N | P b c a | 16.844; 19.929; 26.869 90; 90; 90 | 9019 | Pham, David; Cerón Bertran, Jordi; Olmstead, Marilyn M.; Mascal, Mark; Balch, Alan L. Interaction of fullerenes with the concave surfaces of perchloroazatriquinacene. Organic letters, 2005, 7, 2805-2808 |
| 1506587 | CIF | C18 H30 O6 | P b c a | 11.739; 9.94; 31.993 90; 90; 90 | 3733.12 | Denekamp, C.; Gottlieb, L.; Tamiri, T.; Tsoglin, A.; Shilav, R.; Kapon, M. Two separable conformers of TATP and analogues exist at room temperature. Organic letters, 2005, 7, 2461-2464 |
| 1506617 | CIF | C20 H21 N O5 S | P b c a | 15.9518; 12.6973; 19.0989 90; 90; 90 | 3868.4 | Shi, Yong-Ling; Shi, Min DABCO-catalyzed reaction of allenic esters and ketones with salicyl N-tosylimines: synthesis of highly functionalized chromenes. Organic letters, 2005, 7, 3057-3060 |
| 1506692 | CIF | C9 H14 O3 | P b c a | 5.9697; 13.3048; 22.401 90; 90; 90 | 1779.2 | Muthusamy, Sengodagounder; Gnanaprakasam, Boopathy; Suresh, Eringathodi Regioselective nucleophilic addition to carbonyl ylide intermediates: a novel diastereoselective synthesis of cycloalkyl fused furan-3-ones. Organic letters, 2005, 7, 4577-4580 |
| 1506698 | CIF | C15 H20 O3 | P b c a | 9.0996; 11.5389; 25.785 90; 90; 90 | 2707.4 | Lam, Hon Wai; Joensuu, Pekka M. Cu(I)-catalyzed reductive aldol cyclizations: diastereo- and enantioselective synthesis of beta-hydroxylactones. Organic letters, 2005, 7, 4225-4228 |
| 1506711 | CIF | C16 H15 F6 N O4 S | P b c a | 17.1855; 8.6653; 24.9779 90; 90; 90 | 3719.6 | Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J. [2]pseudorotaxane formation with N-benzylanilinium axles and 24-crown-8 ether wheels. Organic letters, 2005, 7, 4923-4926 |
| 1506722 | CIF | C15 H18 N2 O4 | P b c a | 8.5596; 11.4819; 26.25 90; 90; 90 | 2579.9 | Blakemore, Paul R.; Kilner, Colin; Norcross, Neil R.; Astles, Peter C. A practical synthesis of (+/-)-alpha-isosparteine from a tetraoxobispidine core. Organic letters, 2005, 7, 4721-4724 |
| 1506759 | CIF | C19 H19 N O2 | P b c a | 10.162; 11.205; 27.271 90; 90; 90 | 3105.2 | Xue, Dong; Chen, Ying-Chun; Wang, Qi-Wei; Cun, Ling-Feng; Zhu, Jin; Deng, Jin-Gen Asymmetric direct vinylogous Michael reaction of activated alkenes to nitroolefins catalyzed by modified cinchona alkaloids. Organic letters, 2005, 7, 5293-5296 |
| 1506802 | CIF | C14 H12 N4 O4 S | P b c a | 8.11; 17.9243; 21.3183 90; 90; 90 | 3099 | Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels Journal of Combinatorial Chemistry, 2004, 6, 928 |
| 1506822 | CIF | C16 F8 N4 | P b c a | 10.411; 13.338; 21.948 90; 90; 90 | 3047.7 | Hibbs, David E.; Overgaard, Jacob; Platts, James A.; Waller, Mark P.; Hursthouse, Michael B. Experimental and Theoretical Charge Density Studies of Tetrafluorophthalonitrile and Tetrafluoroisophthalonitrile The Journal of Physical Chemistry B, 2004, 108, 3663 |
| 1506840 | CIF | C12 H52 Al2 N8 O21 P4 | P b c a | 17.6569; 15.4289; 25.5819 90; 90; 90 | 6969.2 | Loiseau, Thierry; Beitone, Lionel; Millange, Franck; Taulelle, Francis; O'Hare, Dermot; Férey, Gérard Observation and Reactivity of the Chainlike Species ([Al(PO4)2]3-)nduring the X-ray Diffraction Investigation of the Hydrothermal Synthesis of the Super-sodalite Sodium Aluminophosphate MIL-74 (Na2Al7(PO4)12·4trenH3·Na(H2O)16) The Journal of Physical Chemistry B, 2004, 108, 20020 |
| 1506858 | CIF | C18 H20 I2 O2 | P b c a | 8.0944; 13.7017; 16.9431 90; 90; 90 | 1879.11 | Englert, Brian C.; Smith, Mark D.; Hardcastle, Kenneth I.; Bunz, Uwe H. F. Jacketed Poly(p-phenyleneethynylene)s: Nonaggregating Conjugated Polymers as Blue-Emitting Rods Macromolecules, 2004, 37, 8212 |
| 1506862 | CIF | C62 H124 Cl2 P8 Pd2 Pt2 | P b c a | 21.303; 38.332; 19.564 90; 90; 90 | 15976 | Onitsuka, Kiyotaka; Yabe, Ken-ichiro; Ohshiro, Nobuaki; Shimizu, Atsushi; Okumura, Reiko; Takei, Fumie; Takahashi, Shigetoshi Di- and Trifunctional Initiators Containing Pt−Pd μ-Ethynediyl Units for Living Polymerization of Aryl Isocyanides Macromolecules, 2004, 37, 8204 |
| 1506889 | CIF | C14 H15 N3 | P b c a | 10.819; 9.869; 22.487 90; 90; 90 | 2401 | Benati, Luisa; Bencivenni, Giorgio; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Scialpi, Rosanna; Spagnolo, Piero; Zanardi, Giuseppe; Rizzoli, Corrado Cyclizations of N-stannylaminyl radicals onto nitriles. Organic letters, 2004, 6, 417-420 |
| 1506904 | CIF | C28 H33 N3 O4 Si | P b c a | 14.8764; 13.5218; 27.438 90; 90; 90 | 5519.3 | Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V. Oxidative rearrangement of imidazoles with dimethyldioxirane. Organic letters, 2004, 6, 735-738 |
| 1506935 | CIF | C26 H31 N Si | P b c a | 11.17; 16.42; 24.14 90; 90; 90 | 4428 | Yagi, Kazunari; Shinokubo, Hiroshi; Oshima, Koichiro Synthesis of silyl aziridines and alpha-amino acylsilanes with silyldibromomethyllithium. Organic letters, 2004, 6, 4339-4341 |
| 1506942 | CIF | C33 H28 | P b c a | 8.8482; 17.6806; 29.5631 90; 90; 90 | 4624.9 | Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K. Synthesis and structure of a helical diindenophenanthrene with four congested phenyl substituents as a molecular spiral staircase. Organic letters, 2004, 6, 4355-4357 |
| 1506991 | CIF | C37 H42 Cl9 S Sb | P b c a | 21.228; 13.527; 27.025 90; 90; 90 | 7760 | Yamazaki, Daisuke; Nishinaga, Tohru; Komatsu, Koichi Radical cation of dibenzothiophene fully annelated with bicyclo[2.2.2]octene units: X-ray crystal structure and electronic properties. Organic letters, 2004, 6, 4179-4182 |
| 1507023 | CIF | C26 H26 Si2 | P b c a | 6.75; 16.542; 20.635 90; 90; 90 | 2304 | Xu, Caihong; Wakamiya, Atsushi; Yamaguchi, Shigehiro General silaindene synthesis based on intramolecular reductive cyclization toward new fluorescent silicon-containing pi-electron materials. Organic letters, 2004, 6, 3707-3710 |
| 1507042 | CIF | C26 H28 O5 | P b c a | 9.7408; 17.4668; 25.7256 90; 90; 90 | 4377 | Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R. Horning-crown macrocycles: novel hybrids of calixarenes and crown ethers. Organic letters, 2004, 6, 3261-3264 |
| 1507095 | CIF | C42 H53 N3 O4 S | P b c a | 10.646; 18.82; 40.113 90; 90; 90 | 8037 | Kim, Su Jeong; Jo, Moon-Gi; Lee, Jin Yong; Kim, Byeang Hyean Hydrogen bonding patterns of calix[4]arenes with thiourea functionalities in solution and in the solid state. Organic letters, 2004, 6, 1963-1966 |
| 1507163 | CIF | C34 H22 B F15 Si2 | P b c a | 13.0955; 18.5015; 28.2301 90; 90; 90 | 6839.8 | Liedtke, René; Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard 1,1-carboboration route to substituted naphthalenes. Organic letters, 2012, 14, 1448-1451 |
| 1507164 | CIF | C36 H26 B F15 Si2 | P b c a | 12.8769; 18.9861; 29.5893 90; 90; 90 | 7234.1 | Liedtke, René; Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard 1,1-carboboration route to substituted naphthalenes. Organic letters, 2012, 14, 1448-1451 |
| 1507171 | CIF | C16 H18 O S | P b c a | 8.3435; 13.8536; 23.2107 90; 90; 90 | 2682.87 | Arai, Noriyoshi; Tanaka, Koichiro; Ohkuma, Takeshi Novel Intramolecular Photocyclization of α-Arylthiophene Derivatives. Organic letters, 2012, 14, 1488-1491 |
| 1507241 | CIF | C19 H20 Cl2 Cu N4 O | P b c a | 14.036; 16.258; 17.012 90; 90; 90 | 3882.1 | Stibrany, Robert T.; Schulz, Donald N.; Kacker, Smita; Patil, Abhimanyu O.; Baugh, Lisa S.; Rucker, Steven P.; Zushma, Stephen; Berluche, Enock; Sissano, Joseph A. Polymerization and Copolymerization of Olefins and Acrylates by Bis(benzimidazole) Copper Catalysts Macromolecules, 2003, 36, 8584 |
| 1507269 | CIF | C57 H26 Co F15 N5 P | P b c a | 25.451; 13.456; 28.128 90; 90; 90 | 9633 | Simkhovich, Liliya; Goldberg, Israel; Gross, Zeev Easy preparation of cobalt corrole and hexaphyrin and isolation of new oligopyrroles in the solvent-free condensation of pyrrole with pentafluorobenzaldehyde. Organic letters, 2003, 5, 1241-1244 |
| 1507328 | CIF | C13 H15 N O3 | P b c a | 12.4162; 7.6844; 26.1667 90; 90; 90 | 2496.59 | Pigge, F. Christopher; Coniglio, John J.; Rath, Nigam P. Oxidative demetalation of cyclohexadienyl ruthenium(II) complexes: a net Ru-mediated dearomatization. Organic letters, 2003, 5, 2011-2014 |
| 1507333 | CIF | C38 H24 | P b c a | 16.252; 15.611; 20.917 90; 90; 90 | 5307 | Deaton, Kimberly R.; Gin, Mary S. Regioselective [2 + 2 + 2] cycloaddition of a nickel-benzyne complex with 1,3-diynes. Organic letters, 2003, 5, 2477-2480 |
| 1507345 | CIF | C32 H26 F12 N4 | P b c a | 22.7324; 9.6336; 26.7417 90; 90; 90 | 5856.3 | Hayashi, Takashi; Nakashima, Yuji; Ito, Kazuyuki; Ikegami, Takahiro; Aritome, Isao; Suzuki, Akihiro; Hisaeda, Yoshio Synthesis, structure, and chemical property of the first fluorine-containing porphycene. Organic letters, 2003, 5, 2845-2848 |
| 1507368 | CIF | C19 H25 N O5 | P b c a | 12.774; 10.955; 25.097 90; 90; 90 | 3512 | Booker-Milburn, Kevin I; Jenkins, Helen; Charmant, Jonathan P. H.; Mohr, Peter Synthesis of the reported structure of pogostol and a total aynthesis of (+/-)-kessane without the use of protecting groups. Organic letters, 2003, 5, 3309-3312 |
| 1507380 | CIF | C17 H24 N2 O2 | P b c a | 16.862; 11.0458; 16.9723 90; 90; 90 | 3161.16 | Bon, Robin S.; Hong, Chongen; Bouma, Marinus J.; Schmitz, Rob F.; de Kanter, Frans J. J.; Lutz, Martin; Spek, Anthony L.; Orru, Romano V. A. Novel multicomponent reaction for the combinatorial synthesis of 2-imidazolines. Organic letters, 2003, 5, 3759-3762 |
| 1507520 | CIF | C13 H12 O3 | P b c a | 8.1348; 12.0317; 20.4322 90; 90; 90 | 1999.81 | Harmata, Michael; Rashatasakhon, Paitoon A 4 + 3 Cycloaddition Approach to the Synthesis of Spatol. A Formal Total Synthesis of Racemic Spatol Organic Letters, 2001, 3, 2533 |
| 1507536 | CIF | C17 H21 N O4 S | P b c a | 43.138; 9.07; 8.544 90; 90; 90 | 3342.9 | Bommezijn, Sacha; Martin, Concepcion Gonzalez; Kennedy, Alan R.; Lizos, Dimitrios; Murphy, John A. 1,4-Pentadienyl-3-sulfonamides: Frameworks for “Disfavored” Radical Cascade Cyclizations Organic Letters, 2001, 3, 3405 |
| 1507613 | CIF | C14 H15 N O5 S | P b c a | 11.0852; 7.9804; 31.3518 90; 90; 90 | 2773.52 | Grainger, Richard S.; Betou, Marie; Male, Louise; Pitak, Mateusz B.; Coles, Simon J. Semipinacol Rearrangement of Cis-Fused β-Lactam Diols into Keto-Bridged Bicyclic Lactams. Organic letters, 2012, 14, 2234-2237 |
| 1507641 | CIF | C7 H6 Br N O | P b c a | 10.8222; 9.7805; 13.6084 90; 90; 90 | 1440.4 | Zhang, Chun; Xu, Zejun; Shen, Tao; Wu, Guolin; Zhang, Liangren; Jiao, Ning Mn-promoted Aerobic Oxidative C-C Bond Cleavage of Aldehydes with Dioxygen Activation: A Simple Synthetic Approach to Formamides. Organic letters, 2012, 14, 2362-2365 |
| 1507644 | CIF | C22 H22 O5 | P b c a | 8.28074; 10.78047; 41.173 90; 90; 90 | 3675.52 | Shintani, Ryo; Ito, Tomoaki; Hayashi, Tamio Palladium-Catalyzed Synthesis of 4-Oxaspiro[2.4]heptanes via Central Attack of Oxygen Nucleophiles to π-Allylpalladium Intermediates. Organic letters, 2012, 14, 2410-2413 |
| 1507689 | CIF | C32 H44 B N5 O | P b c a | 15.4372; 18.7975; 21.1721 90; 90; 90 | 6143.7 | Merling, Everett; Lamm, Vladimir; Geib, Steven J.; Lacôte, Emmanuel; Curran, Dennis P. [3 + 2]-dipolar cycloaddition reactions of an N-heterocyclic carbene boryl azide. Organic letters, 2012, 14, 2690-2693 |
| 1507733 | CIF | C24 H33 N3 O2 | P b c a | 10.132; 15.1023; 28.17 90; 90; 90 | 4310.5 | Yagishita, Fumitoshi; Mino, Takashi; Fujita, Tsutomu; Sakamoto, Masami Two-step asymmetric reaction using the frozen chirality generated by spontaneous crystallization. Organic letters, 2012, 14, 2638-2641 |
| 1507887 | CIF | C21 H25 N2 O4 | P b c a | 12.321; 14.075; 23.143 90; 90; 90 | 4013 | Li, Liang; Zhao, Mi-Na; Ren, Zhi-Hui; Li, Jian-Li; Guan, Zheng-Hui Cu(OAc)2/TFA-promoted formal [3 + 3] cycloaddition/oxidation of enamines and enones for synthesis of multisubstituted aromatic amines. Organic letters, 2012, 14, 3506-3509 |
| 1507889 | CIF | C23 H22 Br N O3 S | P b c a | 13.4194; 11.6002; 26.589 90; 90; 90 | 4139 | Yin, Qin; You, Shu-Li Intramolecular alkene electrophilic bromination initiated ipso-bromocyclization for the synthesis of functionalized azaspirocyclohexadienones. Organic letters, 2012, 14, 3526-3529 |
| 1508046 | CIF | C37 H57 Fe P3 Si | P b c a | 16.0034; 17.018; 26.118 90; 90; 90 | 7113.1 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
| 1508047 | CIF | C68 H66 B F24 Fe N2 P3 Si | P b c a | 26.3222; 19.5893; 27.3174 90; 90; 90 | 14085.8 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
| 1508048 | CIF | C36 H54 Fe N2 P3 Si | P b c a | 16.085; 17.133; 25.58 90; 90; 90 | 7049 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
| 1508220 | CIF | C20 H22 Cu N3 Na O5 S | P b c a | 13.1161; 13.6814; 24.0413 90; 90; 90 | 4314.1 | Bhowmika, Prasanta; Janaa, Subrata; Janab, Partha Pratim; Harmsb, Klaus; Chattopadhyay, Shouvik Anion mediated diversity in the H-bonded assembly of a series of heteronuclear copper(II)/sodium(I) compounds Inorganica Chimica Acta, 2012, 390, 53-60 |
| 1508427 | CIF | C7 H15 N7 | P b c a | 5.9696; 16.7493; 19.0799 90; 90; 90 | 1907.73 | Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig 1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates Crystals, 2012, 2, 96-104 |
| 1508624 | CIF | C17 H16 N2 O2 | P b c a | 15.5606; 9.0491; 20.4783 90; 90; 90 | 2883.54 | Nair, Divya K.; Mobin, Shaikh M.; Namboothiri, Irishi N. N. Synthesis of imidazopyridines from the Morita-Baylis-Hillman acetates of nitroalkenes and convenient access to Alpidem and Zolpidem. Organic letters, 2012, 14, 4580-4583 |
| 1508643 | CIF | C27 H20 B N O S | P b c a | 9.42; 22.286; 21.009 90; 90; 90 | 4410.5 | Kubota, Yasuhiro; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki Synthesis and fluorescence properties of thiazole-boron complexes bearing a β-ketoiminate ligand. Organic letters, 2012, 14, 4682-4685 |
| 1508663 | CIF | C19 H15 F N2 O4 | P b c a | 11.0313; 9.5234; 31.3481 90; 90; 90 | 3293.29 | Smith, Donna L.; Chidipudi, Suresh Reddy; Goundry, William R.; Lam, Hon Wai Rhodium-catalyzed [2 + 2] cycloaddition of ynamides with nitroalkenes. Organic letters, 2012, 14, 4934-4937 |
| 1508683 | CIF | C20 H22 O3 | P b c a | 9.3; 18.67; 19.8 90; 90; 90 | 3438 | Yang, Ming; Wang, Lin; He, Zheng-He; Wang, Shao-Hua; Zhang, Shu-Yu; Tu, Yong-Qiang; Zhang, Fu-Min Tandem semipinacol-type 1,2-carbon migration/aldol reaction toward the construction of [5-6-7] all-carbon tricyclic core of Calyciphylline A-type alkaloids. Organic letters, 2012, 14, 5114-5117 |
| 1508686 | CIF | C17 H23 Cl N2 O5 S | P b c a | 11.4136; 11.557; 28.331 90; 90; 90 | 3737.1 | Zhou, Jing; Zhou, Ling; Yeung, Ying-Yeung Multicomponent approach in the synthesis of 2,2,6-trisubstituted morpholine derivatives. Organic letters, 2012, 14, 5250-5253 |
| 1508753 | CIF | C18 H21 N O3 S | P b c a | 20.4027; 7.1468; 22.129 90; 90; 90 | 3226.7 | Yuan, Wei; Dong, Xiang; Shi, Min; McDowell, Patrick; Li, Guigen Rh(I)-catalyzed Pauson-Khand-type cycloaddition reaction of ene-vinylidenecyclopropanes with carbon monoxide (CO). Organic letters, 2012, 14, 5582-5585 |
| 1508870 | CIF | C27 H33 N O7 | P b c a | 19.1983; 10.9762; 23.4467 90; 90; 90 | 4940.8 | Gorbacheva, Evgenia O.; Tabolin, Andrey A.; Novikov, Roman A.; Khomutova, Yulia A.; Nelyubina, Yulia V.; Tomilov, Yury V.; Ioffe, Sema L. Six-membered cyclic nitronates as 1,3-dipoles in formal [3 + 3]-cycloaddition with donor-acceptor cyclopropanes. Synthesis of new type of bicyclic nitrosoacetals. Organic letters, 2013, 15, 350-353 |
| 1508884 | CIF | C16 H17 N O2 S2 | P b c a | 7.861; 9.93; 42.05 90; 90; 90 | 3282 | Xu, Xiao-Bo; Liu, Jian; Zhang, Jian-Jian; Wang, Ya-Wen; Peng, Yu Nickel-mediated inter- and intramolecular C-s coupling of thiols and thioacetates with aryl iodides at room temperature. Organic letters, 2013, 15, 550-553 |
| 1508885 | CIF | C13 H13 N O2 S | P b c a | 8.132; 12.907; 23.129 90; 90; 90 | 2428 | Xu, Xiao-Bo; Liu, Jian; Zhang, Jian-Jian; Wang, Ya-Wen; Peng, Yu Nickel-mediated inter- and intramolecular C-s coupling of thiols and thioacetates with aryl iodides at room temperature. Organic letters, 2013, 15, 550-553 |
| 1508902 | CIF | C12 H10 N4 O | P b c a | 7.5741; 13.7438; 21.7946 90; 90; 90 | 2268.75 | Tran, Tuan P.; Mullins, Patrick B.; Am Ende, Christopher W.; Pettersson, Martin Synthesis of Pyridopyrazine-1,6-diones from 6-Hydroxypicolinic Acids via a One-Pot Coupling/Cyclization Reaction. Organic letters, 2013, 15, 642-645 |
| 1508958 | CIF | C26 H24 N O2 P S | P b c a | 11.06; 18.268; 21.576 90; 90; 90 | 4359 | Matano, Yoshihiro; Ohkubo, Hiroshi; Honsho, Yoshihito; Saito, Arihiro; Seki, Shu; Imahori, Hiroshi Synthesis and Charge-Carrier Transport Properties of Poly(phosphole P-alkanesulfonylimide)s. Organic letters, 2013, 15, 932-935 |
| 1509291 | CIF | Ag Cu O4 P | P b c a | 7.5; 15.751; 5.702 90; 90; 90 | 673.592 | Oumba, M.T.; Quarton, M. Proprietes de l'ion Cu2+ dans la structure de Ag Cu P O4 - beta Materials Research Bulletin, 1983, 18, 967-974 |
| 1509320 | CIF | Ag F2 | P b c a | 5.073; 5.529; 5.813 90; 90; 90 | 163.047 | Fischer, P.; Schwarzenbach, D.; Rietveld, H.M. Crystal and magnetic structure of silver difluoride. I. Determination of the Ag F2 structure Journal of Physics and Chemistry of Solids, 1971, 32, 543-550 |
| 1509321 | CIF | Ag F2 | P b c a | 5.568; 5.831; 5.101 90; 90; 90 | 165.614 | Mueller, B.G.; Hoppe, R.; Zemva, B.; Jesih, A.; Lutar, K.; Becker, S.; Bachmann, B. Einkristalluntersuchungen an Ag F2 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1990, 588, 77-83 |
| 1509346 | CIF | Ag Ga P2 Se6 | P b c a | 12.169; 22.484; 7.473 90; 90; 90 | 2044.67 | Pfeiff, R.; Kniep, R. Quaternary selenodiphosphates(IV):M(I)M(III)(P2Se6), (M(I)=Cu,Ag;M(III)=Cr,Al,Ga,In) Journal of Alloys Compd., 1992, 186, 111-133 |
| 1509468 | CIF | Ag N O3 | P b c a | 6.995; 7.328; 10.118 90; 90; 90 | 518.642 | Trotter, J.; Gibbons, C.S. Crystal structure of exo-tricyclo(3.2.1.02,4)oct-6-ene-silver nitrate, and a refinement of the silver nitrate structure Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971), 1971, 1971, 2058-2062 |
| 1509622 | CIF | Ag11 K O16 V4 | P b c a | 16.5328; 10.6286; 10.5452 90; 90; 90 | 1853.01 | Jansen, M.; Kovalevskiy, A. Synthesis and crystal structure analysis of K Ag11 (V O4)4 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2006, 632, 413-436 |
| 1510264 | CIF | Au O4 S | P b c a | 8.549; 8.249; 10.011 90; 90; 90 | 705.983 | Wickleder, M.S. Au S O4 : a true gold(II) sulfate with Au2(4+) ion Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 2112-2114 |
| 1510306 | CIF | Au Sn2 | P b c a | 6.909; 7.037; 11.789 90; 90; 90 | 573.165 | Schubert, K.; Gohle, R.; Breimer, H. Zum Aufbau der Systeme Gold-Indium, Gold-Zinn, Gold-Indium Zinn uns Gold-Zinn-Antimon Zeitschrift fuer Metallkunde, 1959, 50, 146-153 |
| 1510484 | CIF | Au3 Ca7 | P b c a | 20.742; 18.036; 6.665 90; 90; 90 | 2493.4 | Fornasini, M.L.; Merlo, F. Ca7 Au3 and Ca5 Au4, two structures closely related to the Th7 Fe3 and Pu5 Rh4 types Journal of Solid State Chemistry, 1985, 59, 65-70 |
| 1510986 | CIF | B2 Cl4 | P b c a | 11.9; 6.281; 7.69 90; 90; 90 | 574.781 | Atoji, M.; Wheatley, P.J.; Lipscomb, W.N. Molecular Structure of Diborane Tetrachloride, B2 Cl4 Journal of Chemical Physics, 1955, 23, 1176-1176 |
| 1511036 | CIF | B Ce3 O10 Si2 | P b c a | 9.9007; 7.2036; 23.292 90; 90; 90 | 1661.2 | Grossholz, H.; Mueller-Bunz, H.; Schleid, T. Einkristalle des Cer(III)-Borosilicats Ce3 (B Si O6) (Si O4) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 1436-1438 |
| 1511039 | CIF | B Cl Mg2 N2 | P b c a | 6.6139; 9.766; 10.6 90; 90; 90 | 684.668 | Somer, M.; Cardoso Gil, R.; Borrmann, H.; Kuetuekcue, M.N.; Carillo-Cabrera, W. Mg2 (B N2) Cl and Mg8 (B N2)5 I: Novel magnesium nitridoborate halides - syntheses, crystal structures and vibrational spectra Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 1015-1021 |
| 1511168 | CIF | B Gd3 O10 Si2 | P b c a | 9.63; 6.959; 22.792 90; 90; 90 | 1527.41 | Chen, H.-Y.; Zhuang, H.-H.; Huang Jinshun; Lin, X.; Chi Lisheng Synthesis and crystal structure of Gd3 (B Si O6) (Si O4) Jiegon Huaxue, 1998, 17, 297-301 |
| 1511177 | CIF | B Ge1.08 Nd3 O10 Si0.92 | P b c a | 9.845; 7.146; 23.382 90; 90; 90 | 1644.98 | Serhan, K.; Darriet, J.; Taibi, M.; Aride, J.; le Flem, G.; Boukhari, A. The crystal structure of a new borogermanosilicate Nd3BGe1.08Si0.92O10 Journal of Solid State Chemistry, 1994, 110, 384-388 |
| 1511464 | CIF | B Ca Li O3 | P b c a | 13.227; 6.1675; 6.062 90; 90; 90 | 494.523 | Xu, Y.P.; He, M.; Li, X.Z.; Dai, L.; Wu, L.; Li, H.; Chen, X.L. Structure determination of a new compound Li Ca B O3 Journal of Solid State Chemistry, 2004, 177, 1111-1116 |
| 1511482 | CIF | B4 Mn O7 | P b c a | 8.62354; 14.0071; 8.07237 90; 90; 90 | 975.068 | Bernstein, J.L.; Sherwood, R.C.; Gibart, P.; Abrahams, S.C. Manganese diborate. Crystal structure, magnetization, and thermal extinction dependence Journal of Chemical Physics, 1974, 60, 1899-1905 |
| 1511539 | CIF | B5 Cs O8 | P b c a | 8.697; 8.431; 21.41 90; 90; 90 | 1569.88 | Touboul, M.; Nowogrocki, G.; Seguin, L.; Penin, N. Crystal structures of three M B5 O8 (M = Cs, Rb) borates (alpha-(Cs B5 O8), gamma-(Cs B5 O8) and beta-(Rb B5 O8)) Journal of Solid State Chemistry, 2001, 161, 205-213 |
| 1511545 | CIF | B5 Ho2 Ni10 | P b c a | 17.588; 9.001; 9.477 90; 90; 90 | 1500.3 | Zavalii, P.Yu.; Bruskov, V.A.; Kuz'ma, Yu.B.; Gubich, I.B. A new type of Ho2Ni10B5 boride structure Kristallografiya, 1991, 36, 490-491 |
| 1511550 | CIF | B5 Mg Na3 O10 | P b c a | 7.838; 12.288; 18.18 90; 90; 90 | 1750.98 | Xiao Weiqiang; Zang Hegui; Li Ming; Chang Xinan; Zuo Jianlong; Chen Xuean Syntheses and crystal structures of two pentaborates, Na3 Ca B5 O10 and Na3 Mg B5 O10 Solid State Sciences, 2007, 9, 678-685 |
| 1511554 | CIF | B5 O8 Rb | P b c a | 7.553; 11.857; 14.813 90; 90; 90 | 1326.59 | Seguin, L.; Touboul, M.; Penin, N.; Nowogrocki, G. Crystal structures of three M B5 O8 (M = Cs, Rb) borates (alpha-(Cs B5 O8), gamma-(Cs B5 O8) and beta-(Rb B5 O8)) Journal of Solid State Chemistry, 2001, 161, 205-213 |
| 1511654 | CIF | B4 Co O7 | P b c a | 8.1189; 8.621; 13.737 90; 90; 90 | 961.494 | Taylor, N.J.; Rowsell, J.L.C.; Nazar, L.F. Crystallographic investigation of the Co - B - O system Journal of Solid State Chemistry, 2003, 174, 189-197 |
| 1511830 | CIF | C8 H8 O3 | P b c a | 9.676; 16.2; 9.8866 90; 90; 90 | 1549.7 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
| 1511831 | CIF | C8 H8 O3 | P b c a | 9.66; 16.126; 9.753 90; 90; 90 | 1519.3 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
| 1511832 | CIF | C8 H8 O3 | P b c a | 9.676; 16.179; 9.627 90; 90; 90 | 1507.1 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
| 1511833 | CIF | C8 H8 O3 | P b c a | 9.634; 16.132; 9.466 90; 90; 90 | 1471.2 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
| 1511834 | CIF | C8 H8 O3 | P b c a | 9.637; 16.135; 9.365 90; 90; 90 | 1456.2 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
| 1511865 | CIF | C23 H24 O2 | P b c a | 17.444; 8.121; 26.134 90; 90; 90 | 3702.2 | Xie, Xiaocong; Li, Yi; Fox, Joseph M. Selective Syntheses of Δα,βand Δβ,γButenolides from Allylic Cyclopropenecarboxylates via Tandem Ring Expansion/[3,3]-Sigmatropic Rearrangements Organic Letters, 2013, 15, 1500 |
| 1511881 | CIF | C22 H14 O | P b c a | 9.652; 14.2244; 20.858 90; 90; 90 | 2863.7 | Yamamoto, Kosuke; Okazumi, Mieko; Suemune, Hiroshi; Usui, Kazuteru Synthesis of [5]Helicenes with a Substituent Exclusively on the Interior Side of the Helix by Metal-catalyzed Cycloisomerization. Organic letters, 2013, 15, 1806-1809 |
| 1511888 | CIF | C27 H33 Br N2 O4 S | P b c a | 9.5282; 21.6974; 26.3399 90; 90; 90 | 5445.4 | Qian, Yu; Zavalij, Peter J.; Hu, Wenhao; Doyle, Michael P. Bicyclic Pyrazolidinone Derivatives from Diastereoselective Catalytic [3 + 3]-Cycloaddition Reactions of Enoldiazoacetates with Azomethine Imines Organic Letters, 2013, 15, 1564 |
| 1511931 | CIF | C22 H15 N5 | P b c a | 16.283; 10.98; 19.477 90; 90; 90 | 3482 | Wang, Xiang; Wang, Shun-Yi; Ji, Shun-Jun Isocyanide-based multicomponent reactions: catalyst-free stereoselective construction of polycyclic spiroindolines. Organic letters, 2013, 15, 1954-1957 |
| 1511936 | CIF | C19 H14 O4 | P b c a | 11.8949; 8.9065; 28.0405 90; 90; 90 | 2970.7 | Xiong, Yuan; Schaus, Scott E.; Porco, Jr, John A Metal-catalyzed cascade rearrangements of 3-alkynyl flavone ethers. Organic letters, 2013, 15, 1962-1965 |
| 1511937 | CIF | C7 H7 Cl F3 N3 O | P b c a | 16.3661; 6.7959; 33.9544 90; 90; 90 | 3776.5 | Scales, Stephanie; Johnson, Sarah; Hu, Qiyue; Do, Quyen-Quyen; Richardson, Paul; Wang, Fen; Braganza, John; Ren, Shijian; Wan, Yadong; Zheng, Baojiang; Faizi, Darius; McAlpine, Indrawan Studies on the Regioselective Nucleophilic Aromatic Substitution (SNAr) Reaction of 2-Substituted 3,5-Dichloropyrazines Organic Letters, 2013, 15, 2156 |
| 1511958 | CIF | C13 H17 B F4 N2 | P b c a | 7.8204; 14.892; 23.179 90; 90; 90 | 2699.5 | Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Filarowski, Alexander; Borodkin, Gennady S. Extreme Magnetic Separation of Geminal Protons in ProtonatedN,N,N′-Trimethyl-1,8-diaminonaphthalene. A Puzzle of the Fourth Methyl Group Organic Letters, 2013, 15, 2194 |
| 1511959 | CIF | C13 H17 Br N2 | P b c a | 7.4246; 15.5642; 21.89 90; 90; 90 | 2529.6 | Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Filarowski, Alexander; Borodkin, Gennady S. Extreme Magnetic Separation of Geminal Protons in ProtonatedN,N,N′-Trimethyl-1,8-diaminonaphthalene. A Puzzle of the Fourth Methyl Group Organic Letters, 2013, 15, 2194 |
| 1512038 | CIF | C11 H8 N2 O | P b c a | 14.7579; 10.3799; 22.7275 90; 90; 90 | 3481.52 | Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C. Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems. Organic letters, 2013, 15, 2616-2619 |
| 1512040 | CIF | C17 H12 N2 O | P b c a | 13.8283; 7.4374; 24.5877 90; 90; 90 | 2528.76 | Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C. Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems. Organic letters, 2013, 15, 2616-2619 |
| 1512103 | CIF | C25 H20 N2 O3 | P b c a | 18.1208; 7.9048; 27.8786 90; 90; 90 | 3993.4 | Lin, Chi-Hui; Yang, Ding-Yah Synthesis of coumarin/pyrrole-fused heterocycles and their photochemical and redox-switching properties. Organic letters, 2013, 15, 2802-2805 |
| 1512113 | CIF | C20 H15 N3 O | P b c a | 11.6161; 8.1844; 31.4284 90; 90; 90 | 2987.92 | Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones. Organic letters, 2013, 15, 2842-2845 |
| 1512130 | CIF | C16 H15 N O4 | P b c a | 7.707; 13.875; 23.418 90; 90; 90 | 2504.2 | Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B The Journal of Physical Chemistry C, 2013, 117, 14130 |
| 1512137 | CIF | C15 H20 O S2 Si2 | P b c a | 6.9752; 21.458; 24.8 90; 90; 90 | 3711.9 | Wang, Zhihua; Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wei, Qiang; Wang, Hua; Sun, Haoran Molecular Origin of Isomerization Effects on Solid State Structures and Optoelectronic Properties: A Comparative Case Study of Isomerically Pure Dicyanomethylene Substituted Fused Dithiophenes The Journal of Physical Chemistry C, 2013, 117, 16759 |
| 1512216 | CIF | C30 H27 N O4 | P b c a | 9.1775; 16.572; 33.404 90; 90; 90 | 5080.4 | Gicquel, Maxime; Gomez, Catherine; Retailleau, Pascal; Voituriez, Arnaud; Marinetti, Angela Synthesis of 3,3'-Spirocyclic Oxindoles via Phosphine Catalyzed [4 + 2] Cyclizations. Organic letters, 2013, 15, 4002-4005 |
| 1512222 | CIF | C16 H14 Cl2 N2 O2 | P b c a | 16.173; 11.469; 17.766 90; 90; 90 | 3295.4 | Trita, Andrada Stefania; Roisnel, Thierry; Mongin, Florence; Chevallier, Floris Hydrogen Bond Templated 1:1 Macrocyclization through an Olefin Metathesis/Hydrogenation Sequence Organic Letters, 2013, 15, 3798 |
| 1512236 | CIF | C18 H24 Pd | P b c a | 10.2819; 14.7015; 19.599 90; 90; 90 | 2962.6 | Ramirez, Thomas A.; Wang, Qian; Zhu, Yingguang; Zheng, Huaiji; Peng, Xingao; Cornwall, Richard G.; Shi, Yian Pd(0)-Catalyzed Sequential C-N Bond Formation via Allylic and Aromatic C-H Amination of α-Methylstyrenes with Diaziridinone. Organic letters, 2013, 15, 4210-4213 |
| 1512256 | CIF | C12 H15 N3 O S | P b c a | 8.6335; 14.1307; 21.2871 90; 90; 90 | 2596.97 | Surov, Artem O.; Bui, Cong Trinh; Proshin, Alexey N.; Roussel, Pascal; Idrissi, Abdenacer; Perlovich, German L. Novel 1,2,4-thiadiazole derivatives: crystal structure, conformational analysis, hydrogen bond networks, calculations, and thermodynamic characteristics of crystal lattices. The journal of physical chemistry. B, 2013, 117, 10414-10429 |
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