Crystallography Open Database
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Searching space group like 'P c a 21'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1008257 | CIF | C H4 F3 N2 O Sb | P c a 21 | 8.846; 8.378; 7.241 90; 90; 90 | 536.6 | Bourgault, M; Fourcade, R; Ducourant, B; Mascherpa, G Structure cristalline de (N H~2~)~2~ C O, Sb F~3~ Revue de Chimie Minerale, 1979, 16, 151-156 |
1009039 | CIF | Co H3 O4 P | P c a 21 | 8.984; 7.918; 10.139 90; 90; 90 | 721.2 | Sapina, F; Gomez-Romero, P; Marcos, M D; Amoros, P; Ibanez, R; Beltran, D; Navarro, R; Rillo, C; Lera, F Two new cobalt(II) compounds exhibiting weak ferromagnetism: magnetic susceptibility study of Co H P O3 . H2 O and Co Cl (H2 P O2) . (H2 O) and crystal structure of Co H P O3 . H2 O European Journal of Solid State Inorganic Chemistry, 1989, 26, 603-617 |
1010203 | CIF | F2 I K O2 | P c a 21 | 8.38; 5.97; 8.41 90; 90; 90 | 420.7 | Helmholz, L; Rogers, M T The Crystal Structure of Potassium Fluoroiodate, K I O~2~ F~2~ Journal of the American Chemical Society, 1940, 62, 1537-1542 |
1011295 | CIF | C H2 Na2 O4 | P c a 21 | 10.721; 5.243; 6.44 90; 90; 90 | 362 | Harper, J P Crystal structure of sodium carbonate monohydrate, Na2 C O3 H2 O Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1936, 95, 266-273 |
1100195 | CIF | C24 H60 Cl4 Li2 Mo2 O17 | P c a 21 | 20.449; 12.7631; 16.5388 90; 90; 90 | 4316.5 | K.Harms; M.Marsch Private Communication, 2000 |
1100393 | CIF | C25 H35 Cl7 N3 P3 Ti2 | P c a 21 | 12.21; 14.075; 21.393 90; 90; 90 | 3676.51 | Rübenstahl, T.; Weller, F.; Harms, K.; Dehnicke, K.; Fenske, D.; Baum, G. Phosphaniminato-Komplexe des Titans. Synthese und Kristallstrukturen von CpTiCl2(NPMe~3~), [TiCl~3~(NPMe~3~)]~2~, [Ti~2~Cl~5~(NPMe~2~Ph)~3~] und [Ti~3~Cl~6~(NPMe~3~)~5~][BPh~4~] Zeitschrift fuer Anorganische und Allgemeine Chemie, 1994, 620, 1741-1749 |
1100446 | CIF | C12 H30 Cl2 N2 P2 S | P c a 21 | 12.99; 11.579; 12.653 90; 90; 90 | 1903.15 | Kunkel, F.; Harms, K.; Kang, H.-C.; Massa, W.; Dehnicke, K. Phosphaniminato-Komplexe des Schwefels. Kristallstrukturen von [S(NPEt~3~)~3~]Cl, [S(NPEt~3~)~2~]Cl~2~ und [Me~3~SiOSO~2~NPPh~3~] Zeitschrift fuer Anorganische und Allgemeine Chemie, 1997, 623, 962-966 |
1100454 | CIF | C9 H29 Cl2 N Sn3 | P c a 21 | 13.732; 7.622; 19.515 90; 90; 90 | 2042.54 | Hillwig, R.; Harms, K.; Dehnicke, K.; Müller, U. Elementorganisch substituierte Ammonium-Salze. Die Kristallstrukturen von [HN(SnMe~3~)~3~]I, [H~2~N(SnMe~3~)~2~][SnMe~3~Cl~2~] und [N(AsMe~3~)~2~]Br Zeitschrift fuer Anorganische und Allgemeine Chemie, 1997, 623, 676-682 |
1100803 | CIF | C13 H23 Cl N2 O Pd | P c a 21 | 18.2636; 9.3501; 9.2895 90; 90; 90 | 1586.34 | Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia; Jones, Peter G. Reactivity of [Pd{CH~2~C(O)Me}Cl]~n~ toward Isocyanides Organometallics, 2005, 24, 2516-2527 |
1501673 | CIF | C16 H30 N4 O8 S8 | P c a 21 | 11.432; 24.09; 10.121 90; 90; 90 | 2787 | Shi, Zheng; Lu, Zhe-Jun; Zhu, Qin-Yu; Huo, Li-Bin; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie Diamino-diamido tetrathiafulvalene for the sensing of anions and cations: a view in electrochemistry and structure. The journal of physical chemistry. B, 2011, 115, 3020-3026 |
1501901 | CIF | C42 H42 B N | P c a 21 | 23.245; 11.539; 12.288 90; 90; 90 | 3295.9 | Hudson, Zachary M.; Liu, Xiang-Yang; Wang, Suning Switchable Three-State Fluorescence of a Nonconjugated Donor‒Acceptor Triarylborane Organic Letters, 2011, 13, 300-303 |
1502604 | CIF | C22 H23 N O4 S | P c a 21 | 15.819; 11.095; 11.877 90; 90; 90 | 2085 | Zheng, Huaiji; Huo, Xing; Zhao, Changgui; Jing, Peng; Yang, Juan; Fang, Bowen; She, Xuegong Au-catalyzed piperidine synthesis via tandem acyloxy migration/intramolecular [3 + 2] cycloaddition of enynyl esters. Organic letters, 2011, 13, 6448-6451 |
1502701 | CIF | C3 H5 O2 Tl | P c a 21 | 7.302; 10.636; 21.028 90; 90; 90 | 1633.1 | Martínez Casado, F J; Ramos Riesco, M.; da Silva, I.; Labrador, A.; Redondo, M. I.; García Pérez, M V; López-Andrés, S; Rodríguez Cheda, J A Thermal and structural study of the crystal phases and mesophases in the lithium and thallium(i) propanoates and pentanoates binary systems: formation of mixed salts and stabilization of the ionic liquid crystal phase. The journal of physical chemistry. B, 2010, 114, 10075-10085 |
1502961 | CIF | C14 H20 Br2 Se2 Si2 | P c a 21 | 28.649; 7.6936; 18.557 90; 90; 90 | 4090.2 | Getmanenko, Yulia A.; Tongwa, Paul; Timofeeva, Tatiana V.; Marder, Seth R. Base-catalyzed halogen dance reaction and oxidative coupling sequence as a convenient method for the preparation of dihalo-bisheteroarenes. Organic letters, 2010, 12, 2136-2139 |
1503035 | CIF | C24 H40 O3 Si | P c a 21 | 20.0329; 6.5664; 17.1418 90; 90; 90 | 2254.9 | Lazarski, Kiel E.; Hu, Dennis X.; Stern, Charlotte L.; Thomson, Regan J. A synthesis of the carbocyclic core of maoecrystal V. Organic letters, 2010, 12, 3010-3013 |
1503059 | CIF | C26 H37 N O5 | P c a 21 | 16.5169; 5.7641; 50.954 90; 90; 90 | 4851.1 | Burke, Jason P.; Sabat, Michal; Iovan, Diana A.; Myers, William H.; Chruma, Jason J. Exploring the original proposed biosynthesis of (+)-symbioimine: remote exocyclic stereocontrol in a type I IMDA reaction. Organic letters, 2010, 12, 3192-3195 |
1503137 | CIF | C13 H14 O4 | P c a 21 | 11.0204; 8.2388; 12.1197 90; 90; 90 | 1100.41 | Cordes, Jens; Harms, Klaus; Koert, Ulrich Synthesis of the isoquinocycline-pyrrolopyrrole substructure. Organic letters, 2010, 12, 3808-3811 |
1503343 | CIF | C10 H8 F3 N O4 | P c a 21 | 18.015; 8.9617; 6.7552 90; 90; 90 | 1090.6 | Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J. Anion-controlled stereoselective synthesis of cyclobutane derivatives by solid-state [2 + 2] cycloaddition reaction of the salts of trans-3-(4-pyridyl) acrylic acid. Organic letters, 2010, 12, 128-131 |
1503493 | CIF | C21 H21 N O4 | P c a 21 | 11.8807; 19.0098; 8.062 90; 90; 90 | 1820.8 | Hong, Bor-Cherng; Dange, Nitin S.; Ding, Chun-Feng; Liao, Ju-Hsiou Organocatalytic Michael-Knoevenagel-hetero-Diels-Alder reactions: an efficient asymmetric one-pot strategy to isochromene pyrimidinedione derivatives. Organic letters, 2012, 14, 448-451 |
1503561 | CIF | C13 H14 N2 O2 | P c a 21 | 16.7103; 11.6052; 12.5938 90; 90; 90 | 2442.3 | Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K. Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction. Organic letters, 2012, 14, 548-551 |
1503649 | CIF | C22 H17 N O S | P c a 21 | 28.2746; 7.6602; 7.6661 90; 90; 90 | 1660.39 | Wang, Xiang-Shan; Li, Qing; Wu, Jian-Rong; Tu, Shu-Jiang Efficient Method for the Synthesis of Pyranoquinoline, Thiopyranoquinoline, Thienoquinoline, and Naphtho[2,7]naphthyridine Derivatives Catalyzed by Iodine Journal of Combinatorial Chemistry, 2009, 11, 433 |
1503662 | CIF | C14 H13 N O3 S2 | P c a 21 | 13.516; 9.108; 22.558 90; 90; 90 | 2777 | Agrawal, Arpita; de Oliveira, César Augusto F; Cheng, Yuhui; Jacobsen, Jennifer A.; McCammon, J. Andrew; Cohen, Seth M. Thioamide hydroxypyrothiones supersede amide hydroxypyrothiones in potency against anthrax lethal factor. Journal of medicinal chemistry, 2009, 52, 1063-1074 |
1503897 | CIF | C11 H18 N4 O2 | P c a 21 | 9.7231; 9.0749; 13.0834 90; 90; 90 | 1154.43 | Kelly, Ann Rowley; Wei, Jingqiang; Kesavan, Sarathy; Marié, Jean-Charles; Windmon, Nicole; Young, Damian W.; Marcaurelle, Lisa A. Accessing skeletal diversity using catalyst control: formation of n and n + 1 macrocyclic triazole rings. Organic letters, 2009, 11, 2257-2260 |
1503906 | CIF | C28 H30 O4 | P c a 21 | 24.138; 8.8059; 10.177 90; 90; 90 | 2163.2 | Mitasev, Branko; Porco, Jr, John A Manganese(III)-mediated transformations of phloroglucinols: a formal oxidative [4 + 2] cycloaddition leading to bicyclo[2.2.2]octadiones. Organic letters, 2009, 11, 2285-2288 |
1503974 | CIF | C20 H22 O5 | P c a 21 | 12.306; 12.827; 10.576 90; 90; 90 | 1669.4 | Majetich, George; Grove, Jeremy L. Total synthesis of (+)-19-deoxyicetexone, (-)-icetexone, and (+)-5-epi-icetexone. Organic letters, 2009, 11, 2904-2907 |
1504040 | CIF | C14 H11 I | P c a 21 | 26.395; 12.0508; 7.482 90; 90; 90 | 2379.9 | Pawluć, Piotr; Hreczycho, Grzegorz; Szudkowska, Justyna; Kubicki, Maciej; Marciniec, Bogdan New one-pot synthesis of (E)-beta-aryl vinyl halides from styrenes. Organic letters, 2009, 11, 3390-3393 |
1504479 | CIF | C24 H27 N O4 | P c a 21 | 11.147; 18.976; 9.467 90; 90; 90 | 2002.5 | Taniguchi, Tsuyoshi; Tanabe, Genzo; Muraoka, Osamu; Ishibashi, Hiroyuki Total synthesis of (+/-)-stemonamide and (+/-)-isostemonamide using a radical cascade. Organic letters, 2008, 10, 197-199 |
1505089 | CIF | C7 H13 I N2 O | P c a 21 | 15.2411; 8.2598; 32.681 90; 90; 90 | 4114.2 | Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J. Revisiting ether-derivatized imidazolium-based ionic liquids. The journal of physical chemistry. B, 2007, 111, 10095-10108 |
1505271 | CIF | C48 H60 O8 S4 | P c a 21 | 18.5095; 11.1086; 22.85 90; 90; 90 | 4698.3 | Lee, Jai Young; Kwon, Jongchul; Park, Chul Soon; Lee, Ji-Eun; Sim, Wonbo; Kim, Jong Seung; Seo, Joobeom; Yoon, Il; Jung, Jong Hwa; Lee, Shim Sung Calix[4]thiacrowns as ditopic hosts for homo- and heterobinuclear accommodation: first report of a chopsticks-type pi-coordination. Organic letters, 2007, 9, 493-496 |
1506234 | CIF | C13 H16 O2 | P c a 21 | 11.2356; 5.4389; 19.1892 90; 90; 90 | 1172.64 | Jervis, Peter J.; Kariuki, Benson M.; Cox, Liam R. Stereoselective synthesis of 2,4,5-trisubstituted tetrahydropyrans using an intramolecular allylation strategy. Organic letters, 2006, 8, 4649-4652 |
1506335 | CIF | C7 H15 Cu N O6 | P c a 21 | 19.837; 7.084; 14.896 90; 90; 90 | 2093.3 | Skorik, Yury A.; Gomes, Carlos A. R.; Podberezskaya, Nina V.; Romanenko, Galina V.; Pinto, Luiz F.; Yatluk, Yury G. Complexation Models ofN-(2-Carboxyethyl)chitosans with Copper(II) Ions Biomacromolecules, 2005, 6, 189 |
1506370 | CIF | C37 H49 N6 O9 | P c a 21 | 14.77; 20.689; 12.699 90; 90; 90 | 3881 | Maekawa, Kensuke; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji Exchange interaction in covalently bonded biradical-monoradical composite molecules. The journal of physical chemistry. B, 2005, 109, 3303-3309 |
1506496 | CIF | C26 H16 N4 O12 | P c a 21 | 12.3501; 18.786; 10.827 90; 90; 90 | 2512 | Katz, Jeffrey L.; Feldman, Michael B.; Conry, Rebecca R. Synthesis of functionalized oxacalix[4]arenes. Organic letters, 2005, 7, 91-94 |
1506524 | CIF | C20 H15 N3 O | P c a 21 | 15.686; 12.04; 7.8796 90; 90; 90 | 1488.1 | Davis, Riju; Tamaoki, Nobuyuki Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene. Organic letters, 2005, 7, 1461-1464 |
1506666 | CIF | C7 H7 F2 I | P c a 21 | 17.946; 11.4823; 7.3257 90; 90; 90 | 1509.54 | Ye, Chengfeng; Twamley, Brendan; Shreeve, Jean'ne M. Straightforward syntheses of hypervalent iodine(III) reagents mediated by Selectfluor. Organic letters, 2005, 7, 3961-3964 |
1506681 | CIF | C88 H76 Cl12 N6 O6 | P c a 21 | 33.749; 12.982; 19.167 90; 90; 90 | 8398 | Tominaga, Masahide; Masu, Hyuma; Katagiri, Kosuke; Kato, Takako; Azumaya, Isao Triple helicate constructed by covalent bondings: crystal structure and effective synthesis based on propeller-like substructures. Organic letters, 2005, 7, 3785-3787 |
1506741 | CIF | C18 H26 Cl2 N2 O2 | P c a 21 | 14.174; 11.5857; 12.0325 90; 90; 90 | 1975.9 | Lim, Yeon-Hee; Li, Tindy; Chen, Peiling; Schreiber, Patrick; Kuznetsova, Larissa; Carroll, Patrick J.; Lauher, Joseph W.; Sieburth, Scott McN Asymmetry by electrophilic rearrangement of symmetric 2-pyridone photodimers. Organic letters, 2005, 7, 5413-5415 |
1506809 | CIF | C18 H19 N4 O2 | P c a 21 | 13.515; 11.858; 10.593 90; 90; 90 | 1697.6 | Nagashima, Hideaki; Inoue, Hidenari; Yoshioka, Naoki An Ideal One-Dimensional Antiferromagnetic Spin System Observed in Hydrogen-Bonded Naphth[2,3-d]imidazol-2-yl Nitronyl Nitroxide Crystal: The Role of the Hydrogen Bond. The journal of physical chemistry. B, 2004, 108, 6144-6151 |
1507057 | CIF | C7 H8 O S2 | P c a 21 | 11.134; 6.498; 10.429 90; 90; 90 | 754.52 | Ishii, Akihiko; Kashiura, Satoshi; Oshida, Hideaki; Nakayama, Juzo First isolation of eclipsed vic-disulfoxide: 7,8-dithiabicyclo[4.2.1]nona-2,4-diene 7-exo,8-exo-dioxide. Organic letters, 2004, 6, 2623-2626 |
1507058 | CIF | C7 H8 O2 S2 | P c a 21 | 19.794; 6.216; 12.889 90; 90; 90 | 1585.9 | Ishii, Akihiko; Kashiura, Satoshi; Oshida, Hideaki; Nakayama, Juzo First isolation of eclipsed vic-disulfoxide: 7,8-dithiabicyclo[4.2.1]nona-2,4-diene 7-exo,8-exo-dioxide. Organic letters, 2004, 6, 2623-2626 |
1507788 | CIF | C10 H15 N3 O5 Pt | P c a 21 | 9.4898; 15.218; 8.9436 90; 90; 90 | 1291.6 | Wilson, Justin J.; Lippard, Stephen J. In Vitro Anticancer Activity of cis-Diammineplatinum(II) Complexes with β-Diketonate Leaving Group Ligands. Journal of medicinal chemistry, 2012, 55, 5326-5336 |
1507848 | CIF | C17 H15 Br O4 | P c a 21 | 10.86; 17.451; 8.049 90; 90; 90 | 1525.4 | Parnes, Regev; Kshirsagar, Umesh A.; Werbeloff, Aviya; Regev, Clil; Pappo, Doron Ligand-controlled iron-catalyzed coupling of α-substituted β-ketoesters with phenols. Organic letters, 2012, 14, 3324-3327 |
1507879 | CIF | C27 H21 N S3 | P c a 21 | 15.2379; 14.5654; 19.8667 90; 90; 90 | 4409.3 | Sathyamoorthi, Shyam; Mague, Joel T.; Pascal, Jr, Robert A An in-triphenylaminophane. Organic letters, 2012, 14, 3427-3429 |
1508023 | CIF | C81 H84 F24 N17 O P4 V2 | P c a 21 | 23.4395; 21.7426; 17.4435 90; 90; 90 | 8889.8 | Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R. High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes. Nature chemistry, 2010, 2, 362-368 |
1508241 | CIF | C76 H107 B O4 U2 | P c a 21 | 24.882; 10.719; 25.2792 90; 90; 90 | 6742.22 | Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry, 2012, 4, 668-674 |
1508330 | CIF | C14 H18 O4 | P c a 21 | 15.563; 5.224; 32.605 90; 90; 90 | 2651 | Han, Xun; Floreancig, Paul E. Synthesis of bridged inside-outside bicyclic ethers through oxidative transannular cyclization reactions. Organic letters, 2012, 14, 3808-3811 |
1508341 | CIF | C22 H27 N7 O7 | P c a 21 | 20.6019; 7.0886; 32.075 90; 90; 90 | 4684.2 | Dyablo, Olga V.; Shmoilova, Elena A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Burov, Oleg N.; Starikova, Zoya A. 4,5-Bis(dimethylamino)quinolines: Proton Sponge versus Azine Behavior. Organic letters, 2012, 14, 4134-4137 |
1508519 | CIF | C25 H26 Fe N2 O2 | P c a 21 | 19.7267; 5.7377; 36.268 90; 90; 90 | 4105 | Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation. Journal of medicinal chemistry, 2012, 55, 8790-8798 |
1508637 | CIF | C18 H17 I O3 | P c a 21 | 14.2621; 16.5312; 6.638 90; 90; 90 | 1565.04 | Petrone, David A.; Malik, Hasnain A.; Clemenceau, Antonin; Lautens, Mark Functionalized chromans and isochromans via a diastereoselective Pd(0)-catalyzed carboiodination. Organic letters, 2012, 14, 4806-4809 |
1508667 | CIF | C92.25 H46 | P c a 21 | 15.7767; 14.3048; 24.0147 90; 90; 90 | 5419.7 | Yanney, Michael; Fronczek, Frank R.; Sygula, Andrzej Corannulene subunit acts as a diene in a cycloaddition reaction: synthesis of C80H32 corannulyne tetramer. Organic letters, 2012, 14, 4942-4945 |
1508736 | CIF | C18 H18 N2 O2 | P c a 21 | 15.3122; 15.6051; 6.1644 90; 90; 90 | 1472.97 | Wang, Ruomeng; Bojase, Gomotsang; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S. Nitroso-dienophile additions to dendralenes: a short synthesis of branched aminosugars. Organic letters, 2012, 14, 5652-5655 |
1508819 | CIF | C15 H19 Cl N4 O4 | P c a 21 | 11.6146; 7.7855; 35.607 90; 90; 90 | 3219.8 | Ye, Zhenjun; Shi, Lina; Shao, Xusheng; Xu, Xiaoyong; Xu, Zhiping; Li, Zhong Pyrrole- and dihydropyrrole-fused neonicotinoids: design, synthesis, and insecticidal evaluation. Journal of agricultural and food chemistry, 2013, 61, 312-319 |
1509199 | CIF | Ag As O3 | P c a 21 | 19.488; 6.6; 12.661 90; 90; 90 | 1628.47 | Jansen, M.; Curda, J.; Peters, E.M. Ein Metaarsenat(V) Anion neuartiger Konstitution in Ag As O3 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 491-494 |
1510695 | CIF | B2 Ba2 O6 Zn | P c a 21 | 15.068; 8.72; 10.128 90; 90; 90 | 1330.75 | Smith, R.W.; Koliha, L.J. A new noncentrosymmetric orthoborate (Ba2 Zn (B O3)2) Materials Research Bulletin, 1994, 29, 1203-1210 |
1510892 | CIF | B3 Ce O6 | P c a 21 | 18.457; 4.4675; 4.2951 90; 90; 90 | 354.16 | Huppertz, H.; Despotopoulou, C.; Emme, H. High-pressure synthesis and crystal structure of structurally new orthorhombic rare-earth meta-oxoborates gamma-RE (B O2)3 (RE= La - Nd) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 2450-2457 |
1511655 | CIF | B7 Br Ni3 O13 | P c a 21 | 8.5218; 8.5127; 12.0408 90; 90; 90 | 873.482 | Svensson, C.; Abrahams, S.C.; Bernstein, J.L. Orthorhombic phase of nickel bromine boracite Ni3 B7 O13 Br: room temperature ferroelectric- ferroelastic crystal structure Journal of Chemical Physics, 1981, 75, 1912-1918 |
1511658 | CIF | B7 Cl Cr3 O13 | P c a 21 | 8.5647; 8.6125; 12.1453 90; 90; 90 | 895.88 | Schmid, H.; Mao, S.Y.; Kubel, F.; Yvon, K. Powder and single-crystal X-ray study of chromium chlorine boracite, Cr3 B7 O13 Cl, at low temperature. Powder refinement of the orthorhombic modification at 100K Ferroelectrics, 1992, 132, 239-244 |
1511665 | CIF | B7 Co3 I O13 | P c a 21 | 8.6012; 8.5695; 12.1208 90; 90; 90 | 893.4 | Clin, M.; Fischer, P.; Schmid, H.; Schobinger, P. Magnetic phase transition in cobalt iodine boracite Phase Transition, 1991, 33, 149-157 |
1511676 | CIF | B7 I Mn3 O13 | P c a 21 | 8.7603; 8.6936; 12.3466 90; 90; 90 | 940.299 | Ritter, C.; Schobinger-Papamantellos, P.; Schmid, H.; Crottaz, O.; Suard, E.; Gentil, S.; Rivera, J.P. Magnetic ordering of Mn3 B7 O13 X (X = Cl, Br, I) boracites determined by magnetic measurements and neutron diffraction Ferroelectrics, 1997, 204, 45-55 |
1511780 | CIF | C8 H4 D K O4 | P c a 21 | 9.598; 13.32; 6.4599 90; 90; 90 | 825.9 | Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J. Proton transfer and photoluminescence intermittency of single emitters in dyed crystals. The journal of physical chemistry. B, 2013, 117, 4313-4324 |
1511781 | CIF | C8 H4 D K O4 | P c a 21 | 9.6164; 13.3282; 6.4869 90; 90; 90 | 831.42 | Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J. Proton transfer and photoluminescence intermittency of single emitters in dyed crystals. The journal of physical chemistry. B, 2013, 117, 4313-4324 |
1511782 | CIF | C8 H5 K O4 | P c a 21 | 9.5955; 13.2964; 6.4663 90; 90; 90 | 825.01 | Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J. Proton transfer and photoluminescence intermittency of single emitters in dyed crystals. The journal of physical chemistry. B, 2013, 117, 4313-4324 |
1511783 | CIF | C8 H5 K O4 | P c a 21 | 9.6172; 13.3264; 6.4876 90; 90; 90 | 831.47 | Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J. Proton transfer and photoluminescence intermittency of single emitters in dyed crystals. The journal of physical chemistry. B, 2013, 117, 4313-4324 |
1511795 | CIF | C14 H8 O2 S3 | P c a 21 | 27.724; 3.8968; 11.6473 90; 90; 90 | 1258.31 | Zhou, Weidong; Hernández-Burgos, Kenneth; Burkhardt, Stephen E.; Qian, Hualei; Abru Héctor D. Synthesis and Electrochemical and Computational Analysis of Two New Families of Thiophene-Carbonyl Molecules The Journal of Physical Chemistry C, 2013, 117, 6022 |
1512105 | CIF | C24 H27 N O4 S | P c a 21 | 11.3759; 11.6984; 15.9768 90; 90; 90 | 2126.2 | Poittevin, Clément; Liautard, Virginie; Beniazza, Redouane; Robert, Frédéric; Landais, Yannick Free-Radical Carbo-alkenylation of Enamides and Ene-carbamates. Organic letters, 2013, 15, 2814-2817 |
1512458 | CIF | C26 H30 Au2 F6 N2 O6 P2 S2 | P c a 21 | 12.948; 16.785; 16.495 90; 90; 90 | 3584.9 | Manuel Bardaji; Ana B. Miguel-Coello; Pablo Espinet Mono- and dinuclear luminescent 1,1'-biisoquinoline gold(I) complexes Inorganica Chimica Acta, 2012, 392, 91-98 |
1512596 | CIF | C11 H14 Br2 O Te | P c a 21 | 11.1874; 14.775; 8.1374 90; 90; 90 | 1345.1 | Conner, Elizabeth S.; Crocker, Katherine E.; Fernando, Ranelka G.; Fronczek, Frank R.; Stanley, George G.; Ragains, Justin R. Visible-light-promoted selenofunctionalization of alkenes. Organic letters, 2013, 15, 5558-5561 |
1512706 | CIF | C13 H19 Cl2 N Pd Se | P c a 21 | 7.949; 19.348; 10.049 90; 90; 90 | 1545.5 | Pradhumn Singh; Dipanwita Das; Om Prakash; Ajai K. Singh Synthesis and structural chemistry of N-{2-(arylthio/seleno) ethyl}morpholine/piperidine-palladium(II) complexes as potent catalysts for the Heck reaction Inorganica Chimica Acta, 2012, 393, 77-84 |
1513038 | CIF | C32 H75 Cl16 N8 O8 Zn4 | P c a 21 | 22.703; 6.9191; 18.637 90; 90; 90 | 2927.6 | Lamshöft, Marc; Storp, Jürgen; Ivanova, Bojidarka; Spiteller, Michael Gas-phase CT-stabilized Ag(I) and Zn(II) metal-organic complexesexperimental vs. theoretical study Polyhedron, 2011, 30, 2564 |
1513061 | CIF | C10 H22 N3 O3 | P c a 21 | 10.9481; 14.463; 8.0063 90; 90; 90 | 1267.7 | Ivanova, Bojidarka; Spiteller, Michael Heptachloroepoxides - theoretical versus experimental study of the embedded samples in the matrixes of organic crystals Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2013, 76, 415 |
1513075 | CIF | C14 H23 N4 O6 | P c a 21 | 10.466; 18.241; 8.265 90; 90; 90 | 1577.9 | Ivanova, Bojidarka Solid-state Raman spectra of non-centrosymmetric crystals theoretical vs. experimental study towards an application in THz-regime Journal of Molecular Structure, 2012, 1016, 47 |
1513133 | CIF | C15 H14 S2 | P c a 21 | 7.5615; 21.1348; 16.2978 90; 90; 90 | 2604.56 | Chen, Lei; Mahmoud, Sufian M.; Yin, Xiaodong; Lalancette, Roger A.; Pietrangelo, Agostino Decreasing Aromaticity in π-Conjugated Materials: Efficient Synthesis and Electronic Structure Identification of Cyclopentadiene-Containing Systems Organic Letters, 2013, 15, 5970 |
1513248 | CIF | C12 H12 N2 O | P c a 21 | 14.893; 8.972; 7.742 90; 90; 90 | 1034.5 | Markey, Sophie J.; Lewis, William; Moody, Christopher J. A New Route to α-Carbolines Based on 6π-Electrocyclization of Indole-3-alkenyl Oximes. Organic letters, 2013, 15, 6306-6308 |
1513736 | CIF | C11 H12 F6 Li N O13 S2 | P c a 21 | 8.729; 14.045; 16.041 90; 90; 90 | 1966.6 | McOwen, Dennis W.; Seo, Daniel M.; Borodin, Oleg; Vatamanu, Jenel; Boyle, Paul D.; Henderson, Wesley A. Concentrated electrolytes: decrypting electrolyte properties and reassessing Al corrosion mechanisms Energy & Environmental Science, 2014, 7, 416 |
1513790 | CIF | C17 H16 F6 N3 P Ru | P c a 21 | 11.1674; 10.4372; 16.4146 90; 90; 90 | 1913.23 | Li, Le; Herzon, Seth B. Temporal separation of catalytic activities allows anti-Markovnikov reductive functionalization of terminal alkynes. Nature chemistry, 2014, 6, 22-27 |
1513796 | CIF | C21 H29 F5 Si3 | P c a 21 | 19.1914; 10.6017; 23.3513 90; 90; 90 | 4751.1 | Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units. Nature communications, 2014, 5, 3018 |
1514404 | CIF | C14 H9 F6 N | P c a 21 | 10.0174; 15.9406; 7.9776 90; 90; 90 | 1273.89 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514453 | CIF | C29 H30 O3 Si | P c a 21 | 25.2196; 11.8584; 8.5478 90; 90; 90 | 2556.34 | Zhao, Jinbo; Liu, Shasha; Marino, Nadia; Clark, Daniel A. Regio- and stereoselective trans-silylvinylation of internal alkynes catalyzed by RuHCl(CO)(PCy3)2 Chemical Science, 2013, 4, 1547 |
1514728 | CIF | C34 H30 Au O4 P S2 | P c a 21 | 23.574; 11.1504; 23.342 90; 90; 90 | 6135.7 | Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V. The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus Chemical Science, 2013, 4, 4267 |
1514860 | CIF | C19 H16 Au Cl N2 | P c a 21 | 12.8493; 6.2192; 20.5103 90; 90; 90 | 1639.03 | Citta, Anna; Schuh, Esther; Mohr, Fabian; Folda, Alessandra; Massimino, Maria Lina; Bindoli, Alberto; Casini, Angela; Rigobello, Maria Pia Fluorescent silver(I) and gold(I)-N-heterocyclic carbene complexes with cytotoxic properties: mechanistic insights. Metallomics : integrated biometal science, 2013, 5, 1006-1015 |
1515158 | CIF | C12 H8 O3 | P c a 21 | 24.2219; 5.1953; 7.4212 90; 90; 90 | 933.88 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
1515284 | CIF | B H12 Li N4 | P c a 21 | 12.0187; 6.49642; 7.6645 90; 90; 90 | 598.43 | He, Teng; Wu, Hui; Wu, Guotao; Wang, Junhu; Zhou, Wei; Xiong, Zhitao; Chen, Juner; Zhang, Tao; Chen, Ping Borohydride hydrazinates: high hydrogen content materials for hydrogen storage Energy & Environmental Science, 2012, 5, 5686 |
1515367 | CIF | C13 H19 F N2 S | P c a 21 | 17.405; 8.732; 17.612 90; 90; 90 | 2677 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515449 | CIF | C18 H21 N O2 | P c a 21 | 11.93; 8.5702; 30.278 90; 90; 90 | 3095.7 | Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L. Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes Chemical Science, 2011, 2, 633 |
1515813 | CIF | C29 H34 Cl2 F6 N2 O6 Pd2 | P c a 21 | 33.636; 11.4193; 18.0125 90; 90; 90 | 6918.6 | Yeung, Charles S.; Zhao, Xiaodan; Borduas, Nadine; Dong, Vy M. Pd-catalyzed ortho-arylation of phenylacetamides, benzamides, and anilides with simple arenes using sodium persulfate Chemical Science, 2010, 1, 331 |
1515821 | CIF | C15 H24 Cl2 Cu N3 | P c a 21 | 11.892; 15.074; 9.64 90; 90; 90 | 1728 | Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions Chemical Science, 2010, 1, 326 |
1515822 | CIF | C15 H24 Br2 Cu N3 | P c a 21 | 12.3103; 15.3429; 9.6916 90; 90; 90 | 1830.5 | Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions Chemical Science, 2010, 1, 326 |
1515824 | CIF | C14 H24 Cl2 Cu N3 O | P c a 21 | 12.47; 15.254; 9.07 90; 90; 90 | 1725.3 | Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions Chemical Science, 2010, 1, 326 |
1515980 | CIF | C36 H44 N4 O4 | P c a 21 | 25.739; 9.667; 12.857 90; 90; 90 | 3199 | Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D. Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles. Organic letters, 2014, 16, 2764-2767 |
1515990 | CIF | C27 H27 N3 O3 | P c a 21 | 17.384; 9.096; 28.177 90; 90; 90 | 4455 | Culf, Adrian S.; Cuperlović-Culf, Miroslava; Léger, Daniel A; Decken, Andreas Small Head-to-Tail Macrocyclic α-Peptoids. Organic letters, 2014, 16, 2780-2783 |
1516133 | CIF | C20 H4 Br4 Cl4 | P c a 21 | 7.4442; 27.2175; 19.194 90; 90; 90 | 3888.9 | Zagranyarski, Yulian; Chen, Long; Jänsch, Daniel; Gessner, Thomas; Li, Chen; Müllen, Klaus Toward perylene dyes by the hundsdiecker reaction. Organic letters, 2014, 16, 2814-2817 |
1516374 | CIF | C22 H32 N4 O6 | P c a 21 | 7.6093; 18.2086; 17.2841 90; 90; 90 | 2394.8 | Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking. The journal of physical chemistry. A, 2009, 113, 11354-11366 |
1516637 | CIF | C5 H5 Br2 N | P c a 21 | 14.273; 4.6009; 10.7534 90; 90; 90 | 706.16 | Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan The nature of halogen...halide synthons: theoretical and crystallographic studies. The journal of physical chemistry. A, 2007, 111, 2319-2328 |
1516638 | CIF | C5 H5 Br Cl N | P c a 21 | 14.274; 4.4396; 10.581 90; 90; 90 | 670.5 | Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan The nature of halogen...halide synthons: theoretical and crystallographic studies. The journal of physical chemistry. A, 2007, 111, 2319-2328 |
1516639 | CIF | C5 H5 Br I N | P c a 21 | 14.2891; 4.8298; 10.9546 90; 90; 90 | 756.02 | Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan The nature of halogen...halide synthons: theoretical and crystallographic studies. The journal of physical chemistry. A, 2007, 111, 2319-2328 |
1516673 | CIF | C18 H8 O2 S | P c a 21 | 15.913; 11.398; 6.921 90; 90; 90 | 1255.3 | Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M. Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials Chemical Science, 2014, 5, 3627 |
1516814 | CIF | C18 H16 N2 O3 | P c a 21 | 28.94; 5.9109; 9.179 90; 90; 90 | 1570.2 | Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D. Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies Chemical Science, 2014, 5, 3651 |
1516893 | CIF | C58 H86 O3 Si4 U2 | P c a 21 | 43.8503; 10.3313; 24.2758 90; 90; 90 | 10997.7 | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2 by mixed sandwich uranium(iii) complexes Chemical Science, 2014, 5, 3777 |
1516941 | CIF | C113 H116 Cu9 N28 O21 | P c a 21 | 33.552; 11.631; 30.295 90; 90; 90 | 11822 | Dongcheng Liu; Zilu Chen; Wanyun Huang; Suni Qin; Liping Jiang; Suping Zhou; Fupei Liang Metal clusters constructed by dihydrazide ligand: Synthesis, structure and magnetic properties Inorganica Chimica Acta, 2013, 400, 179-183 |
1516962 | CIF | C11 H19 N Ni O8 | P c a 21 | 11.3509; 16.7012; 7.4757 90; 90; 90 | 1417.2 | Smrečki, Neven; Kukovec, Boris-Marko; Đaković, Marijana; Popović, Zora Nickel(II) complexes with N‒aralkyliminodiacetic acids: preparation, spectroscopic, structural and thermal characterization Inorganica Chimica Acta, 2013, 400, 122-129 |
1517041 | CIF | C16 H22 N4 O5 Zn | P c a 21 | 15.91; 8.949; 13.459 90; 90; 90 | 1916.3 | Rui-Li Zhao; Ke-Fen Yue; Chun-sheng Zhou; Qiao-De-Mei Cheng; Jing-Tao Shi; Yong-Liang Liu; Yao-Yu Wang A study of zinc(II) coordination polymers with identical meso-helix based on 1,4-bis(2-methyl-imidazol-1-yl)butane Inorganica Chimica Acta, 2013, 402, 25-32 |
1517180 | CIF | C12 H8 O S | P c a 21 | 14.959; 4.722; 26.639 90; 90; 90 | 1882 | Zhong, Yanzhen; Yuan, Linxin; Huang, Zheng; Gu, Wenchao; Shao, Ye; Han, Wei Unexpected hydrazine hydrate-mediated aerobic oxidation of aryl/ heteroaryl boronic acids to phenols in ambient air RSC Adv., 2014, 4, 33164-33167 |
1517253 | CIF | C29 H33 N3 O2 | P c a 21 | 25.7585; 10.3249; 9.5675 90; 90; 90 | 2544.51 | Galvez, Jaime; Castillo, Juan-Carlos; Quiroga, Jairo; Rajzmann, Michel; Rodriguez, Jean; Coquerel, Yoann Divergent Chemo-, Regio-, and Diastereoselective Normal Electron-Demand Povarov-Type Reactions with α-Oxo-ketene Dienophiles. Organic letters, 2014, 16, 4126-4129 |
1517874 | CIF | C13 H21 Fe P5 | P c a 21 | 18.7588; 6.5778; 14.1509 90; 90; 90 | 1746.1 | Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury Chem. Sci., 2015, 6, 132 |
1517921 | CIF | C8 H14 B N O | P c a 21 | 12.816; 7.3282; 17.716 90; 90; 90 | 1663.9 | Sun, Feiye; Lv, Lily; Huang, Min; Zhou, Zhaohui; Fang, Xiangdong Palladium-catalyzed cross-coupling reactions of 4a,8a-azaboranaphthalene. Organic letters, 2014, 16, 5024-5027 |
1518010 | CIF | C27 H20 O7 | P c a 21 | 16.9537; 8.6396; 29.8296 90; 90; 90 | 4369.24 | Zhao, Si-Meng; Wang, Zhe; Zeng, Guang-Zhi; Song, Wei-Wu; Chen, Xiao-Qiang; Li, Xiao-Nian; Tan, Ning-Hua New Cytotoxic Naphthohydroquinone Dimers from Rubia alata. Organic letters, 2014, 16, 5576-5579 |
1518019 | CIF | C36 H66 Al Cl5 P2 Pb Pt | P c a 21 | 25.2527; 13.9068; 24.7327 90; 90; 90 | 8685.7 | Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S. Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum Chem. Sci., 2015, 6, 425 |
1518138 | CIF | C22 H22 N2 O3 | P c a 21 | 15.4467; 16.2308; 7.0318 90; 90; 90 | 1763 | Denizot, Natacha; Pouilhès, Annie; Cucca, Mélissa; Beaud, Rodolphe; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume Bioinspired direct access to benzofuroindolines by oxidative [3 + 2] annulation of phenols and indoles. Organic letters, 2014, 16, 5752-5755 |
1518218 | CIF | C20.62 H17.23 Au Cl1.23 N O | P c a 21 | 22.3204; 11.4097; 7.0554 90; 90; 90 | 1796.79 | Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci., 2015, 6, 981 |
1518462 | CIF | C21 H21 Br N2 O3 S | P c a 21 | 24.0183; 11.2598; 7.4174 90; 90; 90 | 2005.97 | Arai, Noriyoshi; Mizota, Moe; Ohkuma, Takeshi Stereoselective preparation of spiro[4.4] cyclic compounds by the photochemical activation of oxazoles. Organic letters, 2015, 17, 86-89 |
1518494 | CIF | C18 H20 N2 O2 S | P c a 21 | 12.7796; 13.8018; 18.4448 90; 90; 90 | 3253.32 | Greulich, Tobias W.; Daniliuc, Constantin G.; Studer, Armido N-aminopyridinium salts as precursors for N-centered radicals - direct amidation of arenes and heteroarenes. Organic letters, 2015, 17, 254-257 |
1518564 | CIF | C21 H14 Br N | P c a 21 | 7.6677; 10.2755; 19.816 90; 90; 90 | 1561.3 | Dibble, David J.; Umerani, Mehran J.; Mazaheripour, Amir; Park, Young S.; Ziller, Joseph W.; Gorodetsky, Alon A. An Aza-Diels‒Alder Route to Polyquinolines Macromolecules, 2015, 48, 557 |
1518733 | CIF | C20 H22 O7 | P c a 21 | 28.5983; 8.3343; 7.7428 90; 90; 90 | 1845.47 | Kim, Hiyoung; Yang, Inho; Ryu, Shin-Young; Won, Dong Hwan; Giri, Awadut G.; Wang, Weihong; Choi, Hyukjae; Chin, Jungwook; Hahn, Dongyup; Kim, Eunhee; Han, Chulkyeong; Lee, Jihye; Nam, Sang-Jip; Ho, Won-Kyung; Kang, Heonjoong Acredinones A and B, Voltage-Dependent Potassium Channel Inhibitors from the Sponge-Derived Fungus Acremonium sp. F9A015. Journal of natural products, 2015, 78, 363-367 |
1518841 | CIF | C28 H33 F3 N3 O3 P S Zr | P c a 21 | 17.6285; 10.81736; 30.9896 90; 90; 90 | 5909.53 | Sietzen, Malte; Batke, Sonja; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim Phospha Derivatives of Tris(2-aminoethyl)amine (tren) and Tris(3-aminopropyl)amine (trpn): Synthesis and Complexation Studies with Group 4 Metals Organometallics, 2015, 34, 1118 |
1518847 | CIF | C24 H54 Cl2 Cu2 N6 O11 | P c a 21 | 13.2773; 19.3218; 14.0515 90; 90; 90 | 3604.8 | Neil F. Curtis; Kelly Flood; Ward T. Robinson An asymmetrical dinuclear copper(II) beta-amino-oxime/oximato-diamine compound with Cu-(OH)-Cu and Cu-(N-O)-Cu bridging; [Cu2(detenoxH)(detenox)(OH)](ClO4)2 (detenoxH = 4,4-dimethyl-7-(N,N-diethylamine)-5-azaheptan-2-one oxime) Inorganica Chimica Acta, 2015, 424, 173-175 |
1518990 | CIF | C17 H17 O P Si | P c a 21 | 14.4427; 6.5207; 16.6673 90; 90; 90 | 1569.67 | Xu, Youzhi; Wang, Zhihua; Gan, Zhenjie; Xi, Qiuzhen; Duan, Zheng; Mathey, François Versatile synthesis of phospholides from open-chain precursors. Application to annelated pyrrole- and silole-phosphole rings. Organic letters, 2015, 17, 1732-1734 |
1519309 | CIF | C16 H14 O7 | P c a 21 | 16.4355; 13.0381; 6.5149 90; 90; 90 | 1396.06 | Ward, Robert S.; Light, Mark E.; Hursthouse, Michael B. C16H14O7 Crystal Structure Report Archive, 2001, 727 |
1519460 | CIF | C22 H28 N2 O2 | P c a 21 | 17.1687; 6.0927; 18.4778 90; 90; 90 | 1932.85 | Wood, Mark E.; Coles, Simon J.; Hursthouse, Michael B. C11H14NO Crystal Structure Report Archive, 2002, 896 |
1519530 | CIF | C38 H40 O4 | P c a 21 | 35.283; 8.364; 10.721 90; 90; 90 | 3163.8 | Butler, Ian. R.; Horton, Peter N.; Hursthouse, Michael B. C38H40O4 Crystal Structure Report Archive, 2003, 1008 |
1519675 | CIF | C4 H4 I N O | P c a 21 | 16.1674; 4.1334; 9.0094 90; 90; 90 | 602.07 | Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides CrystEngComm, 2015, 17, 4486 |
1519886 | CIF | C7 H10 Cl N | P c a 21 | 15.6207; 5.3929; 8.6541 90; 90; 90 | 729.03 | Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. 2-Methylaniliniumchloride Crystal Structure Report Archive, 2008, 696 |
1520293 | CIF | C5 H5 Br2 N | P c a 21 | 14.2564; 4.6063; 10.7577 90; 90; 90 | 706.45 | Rumyantsev, Misha; Sitnikov, Nikolay S.; Somov, Nikolay V. Hydrogen-bond-assisted organocatalytic acetalization of secondary alcohols: experimental and theoretical studies. The journal of physical chemistry. A, 2015, 119, 4108-4117 |
1520342 | CIF | C10 H14 O3 S2 | P c a 21 | 11.738; 12.134; 15.537 90; 90; 90 | 2212.9 | Coles, Simon J.; Hursthouse, Michael B.; Lamond, Steven J. C10H14O3S2 Crystal Structure Report Archive, 2009, 822 |
1520446 | CIF | C16 H15 N O2 S2 | P c a 21 | 18.773; 7.8448; 20.3148 90; 90; 90 | 2991.8 | Siva Reddy, Alla; Kumara Swamy, K. C. Use of Elemental Sulfur or Selenium in a Novel One-Pot Copper-Catalyzed Tandem Cyclization of Functionalized Ynamides Leading to Benzosultams. Organic letters, 2015, 17, 2996-2999 |
1520705 | CIF | C22 H22 N2 O3 | P c a 21 | 17.651; 15.5231; 13.7865 90; 90; 90 | 3777.48 | Dörr, Aurélie A; Lubell, William D. γ-Turn Mimicry with Benzodiazepinones and Pyrrolobenzodiazepinones Synthesized from a Common Amino Ketone Intermediate. Organic letters, 2015, 17, 3592-3595 |
1521066 | CIF | As Be H3 O5 | P c a 21 | 9.7471; 4.6794; 8.5929 90; 90; 90 | 391.927 | Gier, T.E.; Stucky, G.D.; Bu Xianhui; Harrison, W.T.A. Tetrahedral networks containing beryllium: syntheses and structures of Be3 (P O4)2 . 2(H2 O) and Be (H As O4) . (H2 O) Journal of Solid State Chemistry, 1999, 146, 394-398 |
1521168 | CIF | O9 P2 V2 | P c a 21 | 7.73808; 9.58698; 16.58949 90; 90; 90 | 1230.69 | Hiroi, Z.; Ikeda, T.; Azuma, M.; Saito, T.; Takano, M.; Fujishiro, Y.; Izumi, F.; Kamiyama, T. Structural study of the quantum-spin chain compound (V O)2 P2 O7 Journal of Solid State Chemistry, 1999, 146, 369-379 |
1524121 | CIF | F2 H8 O4 Zn | P c a 21 | 12.63; 5.288; 7.54 90; 90; 90 | 503.577 | Bukvetskii, B.V.; Polishchuk, S.A.; Simonov, V.I. Crystal structure of zinc fluoride tetrahydrate, Zn F2 (H2 O)4 Kristallografiya, 1973, 18, 956-960 |
1524748 | CIF | Cl K3 O S3 W | P c a 21 | 12.507; 6.317; 12.371 90; 90; 90 | 977.392 | Krebs, B.; Buss, B.; Ferwahnah, A. Die Kristallstruktur von Kalium-trithiowolframat-chlorid K3 (W O S3) Cl Zeitschrift fuer Anorganische und Allgemeine Chemie, 1972, 387, 142-153 |
1525806 | CIF | Be F4 H4 Li N | P c a 21 | 9.022; 5.288; 8.623 90; 90; 90 | 411.389 | Chung, S.J.; Hahn, T. Tetrahedral-framework structures of (N H4) Li Be F4 and Cs Li Be F4 Materials Research Bulletin, 1972, 7, 1209-1218 |
1526679 | CIF | H2 Li N O3 S | P c a 21 | 16.253; 5.0529; 8.2469 90; 90; 90 | 677.275 | Stade, J.; Bohaty, L.; Held, P. Crystal growth, crystal structure and physical properties of lithium sulfamate Li (N H2 S O3) Crystal Research and Technology, 2001, 36, 347-360 |
1529178 | CIF | Co2 Na9 O7 | P c a 21 | 9.5477; 9.904; 10.1919 90; 90; 90 | 963.75 | Sofin, M.; Jansen, M.; Peters, E.M. Synthesis, structure and magnetic properties of Na9 Co2 O7, a new mixed-valent sodium cobaltate(II, III) Solid State Sciences, 2004, 6, 339-344 |
1529297 | CIF | C38 H54 Cl Cr N2 O6 | P c a 21 | 17.119; 11.491; 37.818 90; 90; 90 | 7439 | Devaine-Pressing, Katalin; Dawe, Louise N.; Kozak, Christopher M. Cyclohexene oxide/carbon dioxide copolymerization by chromium(iii) amino-bis(phenolato) complexes and MALDI-TOF MS analysis of the polycarbonates Polym. Chem., 2015, 6, 6305 |
1529305 | CIF | C9 H12 O2 | P c a 21 | 18.8855; 7.9784; 11.2136 90; 90; 90 | 1689.62 | Feghali, Elias; Carrot, Géraldine; Thuéry, Pierre; Genre, Caroline; Cantat, Thibault Convergent reductive depolymerization of wood lignin to isolated phenol derivatives by metal-free catalytic hydrosilylation Energy Environ. Sci., 2015, 8, 2734 |
1529947 | CIF | Ga0.2 Na1.8 O4 Si Zn0.8 | P c a 21 | 10.4593; 5.2314; 14.4597 90; 90; 90 | 791.188 | Frostaeng, S.; Werner, P.E. Rietveld Profile Refinement of the Sodium Ion Conductors Na1.8 (Ga.2 Zn.8) Si O4 and Na1.8 (Ga.2 Zn.8) Ge O4 Materials Research Bulletin, 1989, 24, 833-843 |
1529948 | CIF | Ga0.2 Ge Na1.8 O4 Zn0.8 | P c a 21 | 10.6366; 5.3289; 14.7905 90; 90; 90 | 838.346 | Frostaeng, S.; Werner, P.E. Rietveld Profile Refinement of the Sodium Ion Conductors Na1.8 (Ga.2 Zn.8) Si O4 and Na1.8 (Ga.2 Zn.8) Ge O4 Materials Research Bulletin, 1989, 24, 833-843 |
1529949 | CIF | Be Na2 O4 Si | P c a 21 | 9.866; 4.911; 13.888 90; 90; 90 | 672.9 | Frostaeng, S.; Werner, P.E. Rietveld profile refinement of the sodium ion conductors Na1.8 (Ga.2 Zn.8) Si O4 and Na1.8 (Ga.2 Zn.8) Ge O4 Materials Research Bulletin, 1989, 24, 833-843 |
1530008 | CIF | O12 P4 Zr | P c a 21 | 20.504; 9.758; 8.49 90; 90; 90 | 1698.66 | Gorbunova, Yu.E.; Ilyukhin, V.V.; Lavrov, A.V.; Kuznetsova, V.G.; Linde, S.A. Structure of the rhombic modification of the zirconium polyphosphate Zr (P O3)4-II Doklady Akademii Nauk SSSR, 1977, 234, 628-631 |
1530370 | CIF | Ge4 Li Na O9 | P c a 21 | 15.9; 4.683; 9.322 90; 90; 90 | 694.113 | Matveeva, R.G.; Ilyukhin, V.V.; Belov, N.V. The crystal structure of compound alkaline tetragermanate Doklady Akademii Nauk SSSR, 1973, 213, 584-587 |
1530396 | CIF | C14 H30 Cl4 N4 Ni O4 | P c a 21 | 12.3629; 12.8888; 13.1011 90; 90; 90 | 2087.6 | Marriott, Katie E. R.; Bhaskaran, Lakshmi; Wilson, Claire; Medarde, Marisa; Ochsenbein, Stefan T.; Hill, Stephen; Murrie, Mark Pushing the limits of magnetic anisotropy in trigonal bipyramidal Ni(ii) Chem. Sci., 2015, 6, 6823 |
1530602 | CIF | C6 H26 Co N12 O11 S | P c a 21 | 15.073; 7.215; 20.045 90; 90; 90 | 2179.93 | Ponomarenko, V.I.; Kurkutova, E.N.; Porai-Koshits, M.A.; Sulaimankulov, K. The crystal structure of cobalt sulfate hexacarbamide Doklady Akademii Nauk SSSR, 1977, 234, 1074-1077 |
1530740 | CIF | H6 Mo2 O12 U | P c a 21 | 12.77; 6.715; 11.53 90; 90; 90 | 988.704 | Serezhkin, V.N.; Chuvaev, V.F.; Kovba, L.M.; Trunov, V.K. The structure of the synthetic iriginite Doklady Akademii Nauk SSSR, 1973, 210, 873-876 |
1530868 | CIF | Bi2 Mo O6 | P c a 21 | 5.4896; 16.22658; 5.5131 90; 90; 90 | 491.093 | Theobald, F.R.; Laarif, A.; Hewat, A.W. The structure of Koechlinite bismuth molybdate. A controversy resolved by neutron diffraction Ferroelectrics, 1984, 56, 219-237 |
1531884 | CIF | F O6 Rb S U | P c a 21 | 25.393; 6.735; 11.496 90; 90; 90 | 1966.07 | Mikhailov, Yu.N.; Gorbunova, Yu.E.; Serezhkin, V.N.; Mit'kovskaya, E.V.; Serezhkina, L.B. Crystal structure of Rb (U O2 (S O4) F) Radiokhimiya, 2002, 44, 290-292 |
1534067 | CIF | As2 H10 O19 U3 | P c a 21 | 20.133; 11.695; 7.154 90; 90; 90 | 1684.45 | Locock, A.J.; Burns, P.C. Structures and syntheses of framework triuranyl diarsenate hydrates Journal of Solid State Chemistry, 2003, 176, 18-26 |
1534118 | CIF | C20 H18 F3 N3 O2 | P c a 21 | 16.6564; 5.4719; 39.3699 90; 90; 90 | 3588.3 | Chung, Tim S.; Lopez, Steven A.; Houk, K. N.; Garcia-Garibay, Miguel A Stereospecific Synthesis of Substituted Aziridines by a Crystal-to-Crystal Photodenitrogenation of Δ(2)-1,2,3-Triazolines. Organic letters, 2015, 17, 4568-4571 |
1534542 | CIF | Fe2 Na9 O7 | P c a 21 | 9.5618; 9.991; 10.3226 90; 90; 90 | 986.138 | Amann, P.; Moeller, A. Na9 (Fe O3) (Fe o4) ein gemischtvalentes Oxoferrat(II,III) mit isolierten (Fe O3)(4-) und (Fe O4)(5-) Anionen Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 917-919 |
1534893 | CIF | Fe S2 | P c a 21 | 5.417; 5.417; 5.417 90; 90; 90 | 158.956 | Bayliss, P. Crystal chemistry and crystallography of some minerals within the pyrite group American Mineralogist, 1989, 74, 1168-1176 |
1535378 | CIF | F30 Sb8 | P c a 21 | 11.157; 11.002; 19.178 90; 90; 90 | 2354.09 | Minkwitz, R.; Nowicki, J. Kristallstruktur einer neuen Modifikation von Sb8F30 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1991, 605, 109-116 |
1535449 | CIF | Mn N4 O10 | P c a 21 | 9.414; 15.929; 10.18 90; 90; 90 | 1526.55 | Tikhomirov, G.A.; Znamenkov, K.O.; Kemnitz, E.; Morozov, I.V.; Troyanov, S.I. Anhydrous nitrates and nitrosonium nitratometallates of manganese and cobalt, M (N O3)2, N O (Mn (N O3)3), and (N O)2 (Co (N O3)4): synthesis and crystal structure Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 269-273 |
1535491 | CIF | Cs H5 O3 | P c a 21 | 13.238; 6.747; 9.121 90; 90; 90 | 814.658 | Mootz, D.; Ruetter, H. Hydrate schwacher und starker Basen. VII: Zum System Caesiumhydroxid-Wasser: Die Kristallstrukturen von CsOH*2H2O und CsOH*3H2O Zeitschrift fuer Anorganische und Allgemeine Chemie, 1992, 608, 123-130 |
1535664 | CIF | F6 H8 N2 Zr | P c a 21 | 13.396; 7.728; 11.669 90; 90; 90 | 1208.03 | Bukvetskii, B.V.; Davidovich, R.L.; Gerasimenko, A.V. Crystal structures of ammonium fluorozirconates N H4 Zr F5 * 0.75 H2 O and (N H4)2 Zr F6 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1991, 17, 35-43 |
1536108 | CIF | As2 Ba2 S5 | P c a 21 | 17.345; 9.256; 11.946 90; 90; 90 | 1917.87 | Cordier, G.; Schwidetzky, C.; Schaefer, H. Darstellung und Struktur von Ba2 As2 S5 Revue de Chimie Minerale, 1983, 20, 877-883 |
1536435 | CIF | Cl11 Mo3 N2 | P c a 21 | 12.5605; 10.0189; 13.301 90; 90; 90 | 1673.83 | Dinh, Q.T.; Richter, M.; Straehle, J.; Niquet, E. Synthese und Struktur von Mo2 N Cl8 und Mo3 N2 Cl11 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1921-1924 |
1536487 | CIF | Ce6 O21 Si6 | P c a 21 | 23.422; 7.196; 10.082 90; 90; 90 | 1699.27 | Kepinski, L.; Wocyrz, M.; Marchewka, M. Structure evolution of nanocrystalline Ce O2 supported on silica: effect of temperature and atmosphere Journal of Solid State Chemistry, 2002, 168, 110-118 |
1536525 | CIF | C0.96 Mo1.93 | P c a 21 | 6.022; 4.725; 5.195 90; 90; 90 | 147.818 | Khaenko, B.V.; Gnitetskii, O.A.; Kublii, V.Z. Structure of ordered carbide beta'-Mo2 C: results of single crystal diffraction study. Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Tekhnichni ta Matematichni Nauki, 1991, 1991, 78-82 |
1537571 | CIF | H8 K2 O15 P4 | P c a 21 | 9.364; 7.458; 19.56 90; 90; 90 | 1366.01 | Larbot, A.; Norbert, A.; Durand, J. Sur l'Existence d'un Intermediaire Reactionnel Entre Phosphate et Pyrophosphate Acide de Potassium: Cas de K2 H8 (P O4)2 P2 O7 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1982, 486, 200-206 |
1540453 | CIF | C17 H14 B N3 O2 | P c a 21 | 19.788; 6.095; 12.5928 90; 90; 90 | 1518.8 | Luisier, N.; Scopelliti, R.; Severin, K. Supramolecular gels based on boronate esters and imidazolyl donors. Soft matter, 2016, 12, 588-593 |
1540603 | CIF | C15 H12 B N3 O | P c a 21 | 7.6982; 5.5273; 29.041 90; 90; 90 | 1235.7 | Adachi, Shinya; Liew, Sean K.; Lee, C. Frank; Lough, Alan; He, Zhi; Denis, Jeffrey D St; Poda, Gennady; Yudin, Andrei K. Condensation-Driven Assembly of Boron-Containing Bis(Heteroaryl) Motifs Using a Linchpin Approach. Organic letters, 2015, 17, 5594-5597 |
1540620 | CIF | C30 H26 O3 S | P c a 21 | 16.1272; 8.2497; 17.782 90; 90; 90 | 2365.8 | Chang, Meng-Yang; Cheng, Yu-Chieh Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones. Organic letters, 2015, 17, 5702-5705 |
1541213 | CIF | Cs2 N12 Zn | P c a 21 | 21.88; 6.762; 7.426 90; 90; 90 | 1098.7 | Mautner, F.A.; Krischner, H. Verfeinerung der Kristallstruktur des Dicaesium-TetraazidoZinkates Cs2Zn(N3) und die Kristallstrukturen komplexer Zinkazide. Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-), 1990, 121, 91-97 |
1541748 | CIF | Ba2 N5 O10 Tl | P c a 21 | 17.868; 4.934; 13.426 90; 90; 90 | 1183.65 | Gasparri, G.F.; Nardelli, M.; Fermi, F. Structural research on non-transition metal double nitrites. Crystal structure, optical absorption and emission of Tl Ba2 (N O2)5 Proceedings of the Indian Academy of Sciences, Serie: Chem. Sci., 1984, 93, 283-293 |
1541761 | CIF | In2 S8 Sn2 | P c a 21 | 13.379; 16.943; 25.973 90; 90; 90 | 5887.57 | Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science, 2002, 298, 2366-2369 |
1541858 | CIF | Cd N2 O6 | P c a 21 | 7.5073; 15.3692; 7.5073 90; 90; 90 | 866.201 | Louer, M.; Louer, D.; Grandjean, D. Structure cristalline et polymorphisme du nitrate de cadmium anhydre Journal of Solid State Chemistry, 1976, 17, 231-237 |
1541913 | CIF | C14 H25 N O5 S Si | P c a 21 | 16.204; 10.0147; 11.186 90; 90; 90 | 1815.2 | Gerstner, Nels C.; Adams, Christopher S.; Grigg, R. David; Tretbar, Maik; Rigoli, Jared W.; Schomaker, Jennifer M. Diastereoselective Synthesis of the Aminocyclitol Core of Jogyamycin via an Allene Aziridination Strategy. Organic letters, 2016, 18, 284-287 |
1542534 | CIF | C19 H18 N2 O3 | P c a 21 | 18.7959; 22.7469; 8.0182 90; 90; 90 | 3428.17 | Kischkewitz, Marvin; Daniliuc, Constantin-Gabriel; Studer, Armido 3-Alkylperoxy-3-cyano-oxindoles from 2-Cyano-2-diazo-N-phenyl-acetamides via Cyclizing Carbene Insertion and Subsequent Radical Oxidation. Organic letters, 2016, 18, 1206 |
1542900 | CIF HKL Paper | C12 H12 O | P c a 21 | 9.8022; 14.9047; 12.643 90; 90; 90 | 1847.13 | Garozzo, Lee Ann; Nazarenko, Alexander Y. 2-(Naphthalen-1-yl)ethanol IUCrData, 2016, 1, x160423 |
1542935 | CIF HKL Paper | C22 H20 Cl2 N2 O | P c a 21 | 20.9334; 10.2009; 9.0493 90; 90; 90 | 1932.4 | Adam, Farook; Ameram, Nadiah; Samshuddin, Seranthimata; Akhilesh Bairy, Kurady; Shivashankarappa Sunil, Madhugiri 1-[(7<i>E</i>)-7-(2-Chlorobenzylidene)-3-(2-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazol-2-yl]ethanone IUCrData, 2016, 1, x160474 |
1543045 | CIF | C14 H12 N4 O2 | P c a 21 | 29.815; 4.718; 8.617 90; 90; 90 | 1212.1 | Wang, Huan; Hesek, Dusan; Lee, Mijoon; Lastochkin, Elena; Oliver, Allen G.; Chang, Mayland; Mobashery, Shahriar The Natural Product Essramycin and Three of Its Isomers Are Devoid of Antibacterial Activity. Journal of natural products, 2016, 79, 1219-1222 |
1543054 | CIF HKL | C6 H12 O6 | P c a 21 | 11.8577; 7.01486; 8.68032 90; 90; 90 | 722.03 | Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco On the correlation between hydrogen bonding and melting points in the inositols IUCrJ, 2013, 1, 61-73 |
1543216 | CIF | C24 H27 N O7 | P c a 21 | 22.7748; 6.0842; 16.1449 90; 90; 90 | 2237.1 | El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation. Organic letters, 2016, 18, 2383-2386 |
1543398 | CIF | C16 H13 N3 O | P c a 21 | 19.0121; 4.9106; 14.288 90; 90; 90 | 1333.94 | Senadi, Gopal Chandru; Gore, Babasaheb Sopan; Hu, Wan-Ping; Wang, Jeh-Jeng BF3-Etherate-Promoted Cascade Reaction of 2-Alkynylanilines with Nitriles: One-Pot Assembly of 4-Amido-Cinnolines. Organic letters, 2016, 18, 2890-2893 |
1543536 | CIF HKL Paper | C14 H11 N3 O2 | P c a 21 | 33.4769; 7.4977; 9.7916 90; 90; 90 | 2457.69 | Naas, Mohammed; Benchidmi, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen 1-Methyl-5-nitro-3-phenyl-1<i>H</i>-indazole IUCrData, 2016, 1, x160961 |
1543610 | CIF | C36 H52 Cl2 Cu N4 O8 | P c a 21 | 17.109; 15.7941; 13.2947 90; 90; 90 | 3592.51 | Shin-Geol Kang; Yun-Taek Lee; Hyungphil Chun; Kimoon Kim Synthesis of new structurally constrained tetraaza macropolycyclic compounds containing two rigid bridges: Crystal structure and chemical properties of a copper(II) complex Inorganica Chimica Acta, 2014, 315-319 |
1543828 | CIF | C26 H22 N2 O2 | P c a 21 | 19.3078; 10.3786; 20.7335 90; 90; 90 | 4154.7 | Zhang, Jianbo; Han, Xiuling; Lu, Xiyan Synthesis of Indole-Substituted Indanones via Palladium(II)-Catalyzed Tandem Reaction of ortho-Electron-Deficient Alkynyl-Substituted Aryl Aldehydes with Indoles. Organic letters, 2016, 18, 2898-2901 |
1544042 | CIF | C24 H33 Ca2 N3 O12 S2 | P c a 21 | 22.6505; 11.2352; 12.7961 90; 90; 90 | 3256.39 | Xue, Hui; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lv, Guangxun; Liang, Linfeng; Liu, Luyao; Hong, Maochun A regenerative metal‒organic framework for reversible uptake of Cd(ii): from effective adsorption to in situ detection Chem. Sci., 2016, 7, 5983 |
1544163 | CIF | C16 H18 O6 | P c a 21 | 11.97; 16; 8.19 90; 90; 90 | 1568.5 | Ren, Zhiqiang; Hao, Yu; Hu, Xiangdong Total Synthesis and Structural Reassignment of (±)-Cereoanhydride. Organic letters, 2016, 18, 4958-4961 |
1544205 | CIF | C17 H13 N3 O2 | P c a 21 | 13.283; 13.585; 7.6811 90; 90; 90 | 1386.1 | Serra, Jordi; Parella, Teodor; Ribas, Xavi Au(iii)-aryl intermediates in oxidant-free C‒N and C‒O cross-coupling catalysis Chem. Sci., 2017, 8, 946 |
1544751 | CIF | C35 H53 Fe N2 P3 Si | P c a 21 | 17.8087; 11.3207; 17.3127 90; 90; 90 | 3490.36 | Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science, 2017, 8, 2321-2328 |
1544761 | CIF | C142 H160 Er5 F90 N47 O100 S30 | P c a 21 | 17.2096; 31.3584; 50.5444 90; 90; 90 | 27277.1 | Prodius, D.; Smetana, V.; Steinberg, S.; Wilk-Kozubek, M.; Mudryk, Y.; Pecharsky, V. K.; Mudring, A.-V. Breaking the paradigm: record quindecim charged magnetic ionic liquids Mater. Horiz., 2017, 4, 217 |
1544939 | CIF | C32 H41 N O7 S Si | P c a 21 | 25.6854; 8.0217; 15.3789 90; 90; 90 | 3168.68 | Gao, Nadia Yuqian; Banwell, Martin G.; Willis, Anthony C. Biomimetic Total Synthesis of the Pentacyclic Amaryllidaceae Alkaloid Derivative Gracilamine. Organic letters, 2017, 19, 162-165 |
1544991 | CIF | C18 H17 F3 O2 S2 | P c a 21 | 11.2567; 11.6409; 27.0758 90; 90; 90 | 3548 | Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes Chem. Sci., 2017, 8, 2610 |
1545019 | CIF HKL Paper | C14 H14 N2 O | P c a 21 | 23.44; 4.6307; 10.6408 90; 90; 90 | 1155 | Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R. (<i>E</i>)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol IUCrData, 2017, 2, x162009 |
1545429 | CIF | C21 H20 O3 | P c a 21 | 11.8946; 18.6719; 7.5647 90; 90; 90 | 1680.1 | Kim, Ju Hyun; Song, Taemoon; Chung, Young Keun Rhodium-Catalyzed Intermolecular Carbonylative [2 + 2 + 1] Cycloaddition of Alkynes Using Alcohol as the Carbon Monoxide Source for the Formation of Cyclopentenones. Organic letters, 2017, 19, 1248-1251 |
1545435 | CIF | C13 H17 N O3 | P c a 21 | 16.7256; 12.4161; 25.1262 90; 90; 90 | 5217.9 | Klare, Hendrik F. T.; Goldberg, Alexander F. G.; Duquette, Douglas C.; Stoltz, Brian M. Oxidative Fragmentations and Skeletal Rearrangements of Oxindole Derivatives. Organic letters, 2017, 19, 988-991 |
1545733 | CIF | C20 H29 Fe N O3 | P c a 21 | 15.0303; 10.4122; 12.7073 90; 90; 90 | 1988.67 | Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D. Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation Chem. Sci., 2017 |
1545745 | CIF | C20 H19 N O2 S | P c a 21 | 15.6695; 5.5971; 39.2584 90; 90; 90 | 3443.1 | Maiti, Saikat; Achar, Tapas Kumar; Mal, Prasenjit An Organic Intermolecular Dehydrogenative Annulation Reaction. Organic letters, 2017, 19, 2006-2009 |
1545937 | CIF | C16 H23 N3 | P c a 21 | 10.4082; 7.7785; 19.6994 90; 90; 90 | 1594.87 | Jeanbourquin, Loïc N; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay Synthesis and Reactivity of 1-Allenyltriazenes. Organic letters, 2017, 19, 2070-2073 |
1546093 | CIF | C15 H10 O2 | P c a 21 | 24.2286; 5.6429; 7.6125 90; 90; 90 | 1040.78 | Jhun, Byung Hak; Yi, Seung Yeon; Jeong, Donghyun; Cho, Jaeheung; Park, Soo Young; You, Youngmin Aggregation of an n‒π* Molecule Induces Fluorescence Turn-on The Journal of Physical Chemistry C, 2017, 121, 11907 |
1546237 | CIF | C28 H25 N O4 | P c a 21 | 14.8441; 10.42006; 14.7439 90; 90; 90 | 2280.53 | Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H. Organic letters, 2017, 19, 2965-2968 |
1546421 | CIF | C23 H23 N5 O8 S | P c a 21 | 31.325; 4.708; 15.8478 90; 90; 90 | 2337.2 | Quiñones, Ryan E; Glinkerman, Christopher M.; Zhu, Kaicheng; Boger, Dale L. Direct Synthesis of β-Aminoenals through Reaction of 1,2,3-Triazine with Secondary Amines. Organic letters, 2017, 19, 3568-3571 |
1546539 | CIF | C18 H21 N O S | P c a 21 | 16.9235; 9.5861; 9.9959 90; 90; 90 | 1621.6 | Ishido, Yuki; Kanbayashi, Naoya; Okamura, Taka-aki; Onitsuka, Kiyotaka Synthesis of Nonnatural Helical Polypeptide via Asymmetric Polymerization and Reductive Cleavage of N‒O Bond Macromolecules, 2017, 50, 5301 |
1546634 | CIF HKL Paper | C33 H27 N O2 | P c a 21 | 17.5297; 12.1853; 12.0781 90; 90; 90 | 2579.94 | Varadharajan, E.; Ramkumar, V.; Scholastica, M. V. B.; Augustine, Arul Prasad T. 3-Benzylidene-1'-methyl-4'-phenyldispiro[cyclopentane-1,3'-pyrrolidine-2',1''-acenaphthene]-2,2''-dione IUCrData, 2017, 2, x170581 |
1546655 | CIF HKL Paper | C19 H19 N3 | P c a 21 | 14.054; 11.2639; 9.6184 90; 90; 90 | 1522.62 | González, Gerardo García; Unnamatla, M. V. Basavanag 9-(1<i>H</i>-Benzo[<i>d</i>]imidazol-2-yl)-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinoline IUCrData, 2017, 2, x170445 |
1546705 | CIF HKL Paper | C19 H16 O3 S | P c a 21 | 33.2932; 7.9284; 5.7903 90; 90; 90 | 1528.42 | Olszowy, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz Biphenyl-4-yl 4-methylbenzenesulfonate IUCrData, 2017, 2, x170982 |
1547054 | CIF | C11 H16 N2 O2 | P c a 21 | 24.608; 7.147; 12.285 90; 90; 90 | 2160.6 | Li, Zhengning; Lam, Shuk Mei; Ip, Ignatius; Wong, Wing-Tak; Chiu, Pauline Rearrangements of α-Diazo-β-hydroxyketones for the Synthesis of Bicyclo[m.n.1]alkanones. Organic letters, 2017, 19, 4464-4467 |
1547085 | CIF | C52 H50 N2 O4 Si | P c a 21 | 20.8; 13.066; 16.207 90; 90; 90 | 4404.6 | Ma, Zetong; Xiao, Chengyi; Liu, Chunming; Meng, Dong; Jiang, Wei; Wang, Zhaohui Palladium-Catalyzed Si-C Bond Formation toward Sila-Annulated Perylene Diimides. Organic letters, 2017, 19, 4331-4334 |
1547240 | CIF | C13 H14 F N O | P c a 21 | 11.246; 17.285; 11.864 90; 90; 90 | 2306.2 | Han, Yong-Chao; Zhang, Yan-Dong; Jia, Qun; Cui, Jian; Zhang, Chi Hypervalent-Iodine-Mediated Ring-Contraction Monofluorination Affording Monofluorinated Five-Membered Ring-Fused Oxazolines. Organic letters, 2017, 19, 5300-5303 |
1547584 | CIF | C19 H20 N2 O | P c a 21 | 13.7527; 9.8191; 22.826 90; 90; 90 | 3082.4 | Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds. Organic letters, 2017, 19, 4880-4883 |
1547700 | CIF | C17 H20 F2 O2 | P c a 21 | 9.8218; 12.5329; 12.4155 90; 90; 90 | 1528.3 | Sha, Wanxing; Ni, Shengyang; Han, Jianlin; Pan, Yi Access to Alkyl-Substituted Lactone via Photoredox-Catalyzed Alkylation/Lactonization of Unsaturated Carboxylic Acids. Organic letters, 2017, 19, 5900-5903 |
1547809 | CIF Paper | C13 H9 Cl2 N3 O2 | P c a 21 | 15.441; 8.3179; 10.6014 90; 90; 90 | 1361.6 | Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions IUCrJ, 2017, 4, 812-823 |
1547899 | CIF | C16 H40 Al2 Cl10 Mg2 O8 | P c a 21 | 26.523; 7.284; 19.1745 90; 90; 90 | 3704.4 | Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research The Journal of Physical Chemistry C, 2017, 121, 24909 |
1547903 | CIF | C22 H15 O P | P c a 21 | 19.497; 7.603; 11.664 90; 90; 90 | 1729 | Rawe, Benjamin W.; Scott, Michael R.; Brown, Christopher M.; MacKenzie, Harvey K.; Gates, Derek P. Poly(p-phenylenediethynylene phosphine)s and Related π-Conjugated Phosphine‒Diyne Polymers: Synthesis, Characterization and Photophysical Properties Macromolecules, 2017, 50, 8916 |
1548066 | CIF | C16 H39 Al2 Cl10 Mg2 O8 | P c a 21 | 26.533; 7.3366; 19.239 90; 90; 90 | 3745.1 | Du, Aobing; Zhang, Zhonghua; Qu, Hongtao; Cui, Zili; Qiao, Lixin; Wang, Longlong; Chai, Jingchao; Lu, Tao; Dong, Shanmu; Dong, Tiantian; Xu, Huimin; Zhou, Xinhong; Cui, Guanglei An efficient organic magnesium borate based electrolyte with non-nucleophilic characteristic for magnesium sulfur battery Energy & Environmental Science, 2017 |
1548337 | CIF | C4 H3 N3 O4 Zn | P c a 21 | 14.268; 4.5707; 10.746 90; 90; 90 | 700.8 | Stephane Diring; Dan Ohtan Wang; Chiwon Kim; Mio Kondo; Yong Chen; Susumu Kitagawa; Ken-ichiro Kamei; Shuhei Furukawa Localized cell stimulation by nitric oxide using a photoactive porous coordination polymer platform Nature Communications, 2013, 4, 2684 |
1548488 | CIF | C14 H30 Cl4 N4 Ni O4 | P c a 21 | 12.5175; 13.082; 13.0989 90; 90; 90 | 2145 | Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure. Chemical science, 2018, 9, 1551-1559 |
1548489 | CIF | C14 H30 Cl4 N4 Ni O4 | P c a 21 | 11.9968; 12.5527; 12.8642 90; 90; 90 | 1937.2 | Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure. Chemical science, 2018, 9, 1551-1559 |
1548490 | CIF | C14 H30 Cl4 N4 Ni O4 | P c a 21 | 11.9924; 12.5546; 12.8611 90; 90; 90 | 1936.4 | Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure. Chemical science, 2018, 9, 1551-1559 |
1548491 | CIF | C14 H30 Cl4 N4 Ni O4 | P c a 21 | 12.3181; 12.8429; 13.038 90; 90; 90 | 2062.61 | Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure. Chemical science, 2018, 9, 1551-1559 |
1548492 | CIF | C14 H30 Cl4 N4 Ni O4 | P c a 21 | 12.2089; 12.7469; 12.9686 90; 90; 90 | 2018.2 | Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure. Chemical science, 2018, 9, 1551-1559 |
1548647 | CIF | C H12 B11 Li | P c a 21 | 9.6668; 9.4892; 9.7273 90; 90; 90 | 892.29 | Wan Si Tang; Atsushi Unemoto; Wei Zhou; Vitalie Stavila; Motoaki Matsuo; Hui Wu; Shin-ichi Orimo; Terrence J. Udovic Unparalleled Lithium and Sodium Superionic Conduction in Solid Electrolytes with Large Monovalent Cage-like Anions Energy & Environmental Science, 2015, 8, 3637-3645 |
1548648 | CIF | C H12 B11 Na | P c a 21 | 9.7821; 9.6254; 10.0928 90; 90; 90 | 950.3 | Wan Si Tang; Atsushi Unemoto; Wei Zhou; Vitalie Stavila; Motoaki Matsuo; Hui Wu; Shin-ichi Orimo; Terrence J. Udovic Unparalleled Lithium and Sodium Superionic Conduction in Solid Electrolytes with Large Monovalent Cage-like Anions Energy & Environmental Science, 2015, 8, 3637-3645 |
1548752 | CIF | C34 H33 F4 Mg N3 | P c a 21 | 24.8934; 13.45834; 18.5282 90; 90; 90 | 6207.39 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
1549088 | CIF | C43 H54 B2 | P c a 21 | 41.344; 14.272; 6.1349 90; 90; 90 | 3620 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
1549239 | CIF | C20 H25 N O5 S | P c a 21 | 11.7592; 10.1198; 32.161 90; 90; 90 | 3827.2 | Maryasin, Boris; Kaldre, Dainis; Galaverna, Renan; Klose, Immo; Ruider, Stefan; Drescher, Martina; Kählig, Hanspeter; González, Leticia; Eberlin, Marcos N.; Jurberg, Igor D.; Maulide, Nuno Unusual mechanisms in Claisen rearrangements: an ionic fragmentation leading to a <i>meta</i>-selective rearrangement. Chemical science, 2018, 9, 4124-4131 |
1549368 | CIF | C62 H48 Co F N4 O4 | P c a 21 | 21.495; 13.598; 16.434 90; 90; 90 | 4803.5 | Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex. Chemical science, 2018, 9, 4999-5007 |
1549373 | CIF | C22 H17 N O9 | P c a 21 | 7.0231; 17.534; 14.6817 90; 90; 90 | 1807.9 | Panter, Fabian; Krug, Daniel; Baumann, Sascha; Müller, Rolf Self-resistance guided genome mining uncovers new topoisomerase inhibitors from myxobacteria. Chemical science, 2018, 9, 4898-4908 |
1549524 | CIF | H6 N4 Ni O6 | P c a 21 | 11.0628; 6.0454; 9.3526 90; 90; 90 | 625.49 | Breternitz, Joachim; Godula-Jopek, Agata; Gregory, Duncan H. Ni(NH3)2(NO3)2 - A 3-D Network through Bridging Nitrate Units Isolated from the Thermal Decomposition of Nickel Hexammine Dinitrate Inorganics, 2018, 6 |
1549675 | CIF HKL Paper | C17 H13 N5 O | P c a 21 | 23.5234; 10.5928; 23.4895 90; 90; 90 | 5853.1 | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Mostafa, Mohamed S.; Khidre, Rizk E.; Hegazy, Amany S.; Kariuki, Benson M. 2-(5-Methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)-5-phenyl-1,3,4-oxadiazole IUCrData, 2018, 3, x180966 |
1549687 | CIF | C26 H17 Br2 N3 | P c a 21 | 25.043; 10.3564; 8.256 90; 90; 90 | 2141.2 | Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins Chemical Science, 2018 |
1549948 | CIF | C10 H12 N2 | P c a 21 | 9.0006; 20.7778; 9.7487 90; 90; 90 | 1823.13 | Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole IUCrJ, 2018, 5 |
1550153 | CIF | C49 H60 B2 Co F8 N5 Ni P2 S2 | P c a 21 | 21.9622; 11.6996; 20.9046 90; 90; 90 | 5371.4 | Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction Chemical Science, 2019 |
1550564 | CIF | C33 H59 Cu4 N3 | P c a 21 | 11.2175; 15.925; 18.9824 90; 90; 90 | 3391 | Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu A new route to the efficient metalation of unfunctionalized aromatics Chemical Science, 2019 |
1551172 | CIF | C24 H42 Cl5 F3 N4 O3 P2 S | P c a 21 | 11.51562; 10.67077; 29.25903 90; 90; 90 | 3595.37 | Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC) Chemical Science, 2019 |
1551244 | CIF HKL Paper | C13 H10 I N O | P c a 21 | 7.0848; 26.422; 6.2664 90; 90; 90 | 1173 | Swetha, G.; Ida Malarselvi, R.; Ramachandra Raja, C.; Thiruvalluvar, A.; Priscilla, J. (E)-4-Iodo-2-[(phenylimino)methyl]phenol IUCrData, 2019, 4 |
1551395 | CIF | C14 H31 Cl N5 Ni O6 | P c a 21 | 17.8908; 7.3739; 15.4074 90; 90; 90 | 2032.6 | Jaeheung Cho; Ritimukta Sarangi; Jamespandi Annaraj; Sung Yeon Kim; Minoru Kubo; Takashi Ogura; Edward I. Solomon; Wonwoo Nam Geometric and electronic structure and reactivity of a mononuclear 'side-on' nickel(iii)-peroxo complex Nature Chemistry, 2009, 1, 568-572 |
1551404 | CIF HKL | C31 H34 F6 N6 O9 S2 Zn | P c a 21 | 16.6985; 12.4092; 17.7201 90; 90; 90 | 3671.9 | Meghan B. Ward; Andreas Scheitler; Meng Yu; Laura Senft; Annika S. Zillmann; John D. Gorden; Dean D. Schwartz; Ivana Ivanovic-Burmazovic; Christian R. Goldsmith Superoxide dismutase activity enabled by a redox-active ligand rather than metal Nature Chemistry, 2018, 10, 1207-1212 |
1551605 | CIF | C66 H82 B2 N6 O6 Zn | P c a 21 | 30.231; 9.2503; 22.083 90; 90; 90 | 6175.4 | ITO, Misaki; MITSUHASHI, Ryoji; MIKURIYA, Masahiro; SAKIYAMA, Hiroshi Crystal Structure of a Trigonally Compressed Hexakis-DMF Zinc(II) Complex X-ray Structure Analysis Online, 2016, 32, 21 |
1551606 | CIF | C24 H27 B Ge O2 | P c a 21 | 16.669; 9.933; 26.907 90; 90; 90 | 4455.1 | BOWES, Eric G.; VOGELS, Christopher M.; DECKEN, Andreas; WESTCOTT, Stephen A. Synthesis and Molecular Structure of Ph<sub>3</sub>GeBO<sub>2</sub>C<sub>2</sub>Me<sub>4</sub> X-ray Structure Analysis Online, 2016, 32, 35 |
1551670 | CIF | C88 H108 B3 Ce O8 S8 | P c a 21 | 27.657; 23.834; 26.529 90; 90; 90 | 17487 | SAKIYAMA, Hiroshi; YUZAWA, Hidetaka; YOSHIOKA, Daisuke; MIKURIYA, Masahiro Structural Feature of an Octakis-DMSO Cerium(III) Complex: Tetragonal Antiprismatic Coordination Geometry along the <i>c</i> Axis X-ray Structure Analysis Online, 2014, 30, 19 |
1551724 | CIF | C66 H82 B2 N6 Ni O6 | P c a 21 | 30.2714; 9.26438; 22.0462 90; 90; 90 | 6182.76 | YAMAGUCHI, Ryo; YAMASAKI, Mikio; SAKIYAMA, Hiroshi Synthesis and Crystal Structure of a Hexa-DMF Nickel(II) Complex that Belongs to an S6 Point Group X-ray Structure Analysis Online, 2011, 27, 71 |
1551969 | CIF | C6 H8 O4 | P c a 21 | 11.166; 12.913; 8.653 90; 90; 90 | 1247.6 | Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane Nature Chemistry, 2015, 7, 483-488 |
1552143 | CIF HKL Paper | C9 H6 O4 Zn | P c a 21 | 9.6314; 4.8612; 17.269 90; 90; 90 | 808.54 | Jia, Jason; LaDuca, Robert L. Poly[[μ~4~-4-(carboxylatomethyl)benzoato]zinc(II)] IUCrData, 2019, 4, x191014 |
1552292 | CIF Paper | C13 H11 N O | P c a 21 | 23.354; 5.6449; 7.7373 90; 90; 90 | 1020 | Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds IUCrJ, 2019, 6 |
1552320 | CIF | C32.5 H9.5 Cl1.5 F10 N3 O2 Pt | P c a 21 | 12.2124; 14.5258; 32.7959 90; 90; 90 | 5817.8 | Yao, Yuhang; Hou, Chun-Liang; Yang, Zi-Shu; Ran, Guangliu; Kang, Lei; Li, Cuicui; Zhang, Wenkai; Zhang, Jing; Zhang, Jun-Long Unusual Near Infrared (NIR) Fluorescent Palladium(II) Macrocyclic Complexes Containing M-C Bond with the Bioimaging Capability Chemical Science, 2019 |
1552375 | CIF | C12 Al Cl3 F28 O3 Se | P c a 21 | 17.32; 14.8685; 10.2605 90; 90; 90 | 2642.3 | Weis, Philippe; Röhner, David C.; Prediger, Richard; Butschke, Burkhard; Scherer, Harald; Weber, Stefan; Krossing, Ingo First Experimental Evidence for the Elusive Tetrahedral Cations [EP3]+ in the Condensed Phase Chemical Science, 2019 |
1552416 | CIF | C29 H36 Cl F6 Ir O P2 | P c a 21 | 17.83; 10.25; 16.89 90; 90; 90 | 3087 | Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua One-pot syntheses of irida-polycyclic aromatic hydrocarbons Chemical Science, 2019 |
1552838 | CIF | C63 H55 Cl N2 Pd S4 | P c a 21 | 24.121; 9.6946; 25.198 90; 90; 90 | 5892.4 | Na, Yinna; Dai, Shengyu; Chen, Changle Direct Synthesis of Polar-Functionalized Linear Low-Density Polyethylene (LLDPE) and Low-Density Polyethylene (LDPE) Macromolecules, 2018, 51, 4040 |
1553075 | CIF | C9 H9 N7 O | P c a 21 | 9.9162; 14.8123; 7.3118 90; 90; 90 | 1073.97 | Quinodoz, Pierre; Lo, Cheikh; Kletskii, Mikhail; Burov, Oleg; Marrot, Jérôme; Couty, François Regio- and stereoselective synthesis of α-hydroxy-β-azido tetrazoles Organic Chemistry Frontiers, 2015, 2, 492 |
1553432 | CIF | C23 H15 Cl3 N2 O2 | P c a 21 | 7.7032; 16.441; 14.9629 90; 90; 90 | 1895 | Zhang, Zeyuan; Dai, Zhen; Ma, Xinkun; Liu, Yihan; Ma, Xiaojun; Li, Wanli; Ma, Chen Cu-catalyzed one-pot synthesis of fused oxazepinone derivatives via sp2 C‒H and O‒H cross-dehydrogenative coupling Organic Chemistry Frontiers, 2016, 3, 799 |
1553502 | CIF | C22 H13 N S | P c a 21 | 16.3471; 11.2916; 8.0242 90; 90; 90 | 1481.15 | Zagranyarski, Yulian; Skabeev, Artem; Ma, Yingjie; Müllen, Klaus; Li, Chen Facile synthesis of annulated heterocyclic benzo[kl]acridine derivatives via one-pot N‒H/C‒H coupling Organic Chemistry Frontiers, 2016, 3, 1520 |
1553779 | CIF | C21 H16 N2 O3 | P c a 21 | 11.0348; 21.2718; 7.2221 90; 90; 90 | 1695.2 | Tang, Hai-Tao; Zeng, Jia-Hao; Chen, Jun-Jia; Zhou, Yun-Bing; Li, Ren-Hao; Zhan, Zhuang-Ping Synthesis of pyrazolo[5,1-a]isoquinolines through copper-catalyzed regioselective bicyclization of N-propargylic sulfonylhydrazones Organic Chemistry Frontiers, 2017, 4, 1513 |
1553822 | CIF | C19 H15 N3 O4 | P c a 21 | 16.2553; 8.3116; 24.8996 90; 90; 90 | 3364.12 | Krylov, Igor B.; Paveliev, Stanislav A.; Shelimov, Boris N.; Lokshin, Boris V.; Garbuzova, Irina A.; Tafeenko, Viktor A.; Chernyshev, Vladimir V.; Budnikov, Alexander S.; Nikishin, Gennady I.; Terent'ev, Alexander O. Selective cross-dehydrogenative C‒O coupling of N-hydroxy compounds with pyrazolones. Introduction of the diacetyliminoxyl radical into the practice of organic synthesis Organic Chemistry Frontiers, 2017, 4, 1947 |
1554036 | CIF | C11 H5 N2 O5 a | P c a 21 | 32.1; 4.1188; 9.6966 90; 90; 90 | 1282.02 | Manin, Alex N.; Voronin, Alexander P.; Shishkina, Anastasia V.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L. Influence of Secondary Interactions on the Structure, Sublimation Thermodynamics, and Solubility of Salicylate:4-Hydroxybenzamide Cocrystals. Combined Experimental and Theoretical Study. The journal of physical chemistry. B, 2015, 119, 10466-10477 |
1554245 | CIF | C29 H20 N2 | P c a 21 | 8.7745; 11.508; 20.298 90; 90; 90 | 2049.6 | Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence Materials Chemistry Frontiers, 2019, 3, 284 |
1554246 | CIF | C29 H23 N O | P c a 21 | 45.21; 6.1483; 7.449 90; 90; 90 | 2070.6 | Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence Materials Chemistry Frontiers, 2019, 3, 284 |
1554280 | CIF | C20 H14 N2 O2 | P c a 21 | 16.9028; 16.5253; 9.9901 90; 90; 90 | 2790.5 | Yao, Wei; Sun, Mingtai; Zhang, Yuannian; Yang, Hui; Liang, Dong; Wu, Haixia; Ni, Runyan; Wong, Ming Wah; Huang, Dejian Photo-induced C‒H bond activation of N,N′-dialkylethylenediamine upon aza-Michael addition to 1,8-pyrenedione: facile synthesis of fluorescent pyrene derivatives Organic Chemistry Frontiers, 2018, 5, 1679 |
1554282 | CIF | C20 H16 N2 O2 | P c a 21 | 17.23; 8.7235; 9.6499 90; 90; 90 | 1450.4 | Yao, Wei; Sun, Mingtai; Zhang, Yuannian; Yang, Hui; Liang, Dong; Wu, Haixia; Ni, Runyan; Wong, Ming Wah; Huang, Dejian Photo-induced C‒H bond activation of N,N′-dialkylethylenediamine upon aza-Michael addition to 1,8-pyrenedione: facile synthesis of fluorescent pyrene derivatives Organic Chemistry Frontiers, 2018, 5, 1679 |
1554295 | CIF | C44 H44 Cl2 N2 O6 S | P c a 21 | 18.1688; 18.3501; 11.8464 90; 90; 90 | 3949.6 | Alajarin, Mateo; Bañon, Daniel; Egea, Adrian; Marín-Luna, Marta; Orenes, Raul-Angel; Vidal, Angel Accessing polysubstituted oxazolidines, pyrrolidines and imidazolidines by regioselective [3 + 2] annulations of ketenimines with donor‒acceptor oxiranes and aziridines Organic Chemistry Frontiers, 2018, 5, 2020 |
1554532 | CIF | C19 H15 N O3 | P c a 21 | 14.3845; 4.3448; 23.199 90; 90; 90 | 1449.9 | Wagh, Sachin Bhausaheb; Sharma, Pankaj; Patil, Manoj D.; Liu, Rai-Shung Gold-catalyzed oxidative cycloalkenations of alkynes with quinoline N-oxides Organic Chemistry Frontiers, 2019, 6, 226 |
1554536 | CIF | C20 H15 Br2 N O2 | P c a 21 | 7.0667; 23.0878; 21.9663 90; 90; 90 | 3583.9 | Liu, Zhenhua; Zhu, Guangyu; Gao, Wen; Yang, Lin; Ji, Huimin; Tong, Lili; Tang, Bo Copper-catalyzed regioselective cyclization of vinyl azides by gem-difluoromethylene for trisubstituted pyridines Organic Chemistry Frontiers, 2019, 6, 468 |
1554794 | CIF | C19 H24 N2 O | P c a 21 | 12.8993; 10.853; 11.6466 90; 90; 90 | 1630.5 | Li, Bo; Wang, Si-Qing; Liu, Bin; Shi, Bing-Feng Synthesis of oxazolines from amides via palladium-catalyzed functionalization of unactivated C(sp(3))-H bond. Organic letters, 2015, 17, 1200-1203 |
1554976 | CIF | C15 H13 N3 | P c a 21 | 12.9687; 13.0705; 7.18 90; 90; 90 | 1217.06 | Zhu, Yingzu; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang Utilization of nitriles as the nitrogen source: practical and economical construction of 4-aminopyrimidine and β-enaminonitrile skeletons Organic Chemistry Frontiers, 2019, 6, 3071 |
1555056 | CIF | C21 H22 O11 | P c a 21 | 8.33914; 13.29606; 18.06836 90; 90; 90 | 2003.38 | Zang, Yi; Gong, Yi-Hua; Li, Xu-Wen; Li, Xiao-Nian; Liu, Jun-Jun; Chen, Chun-Mei; Zhou, Yuan; Gu, Liang-Hu; Luo, Zeng-Wei; Wang, Jian-Ping; Sun, Wei-Guang; Zhu, Hu-Cheng; Zhang, Yong-Hui Canescones A‒E: aromatic polyketide dimers with PTP1B inhibitory activity from Penicillium canescens Organic Chemistry Frontiers, 2019, 6, 3274 |
1555085 | CIF | C3.38 H1.96 Cl0.18 F1.6 N0 O0.18 | P c a 21 | 11.543; 10.4; 32.618 90; 90; 90 | 3916 | He, Wei; Yu, Jipan; Wang, Dawei; Ran, Guoxia; Xia, Xiao-Feng Synthesis of tri-substituted allyl alcohols via a copper/iron co-catalyzed cascade perfluoroalkylation/rearrangement of aryl propynyl ethers Organic Chemistry Frontiers, 2019, 6, 3575 |
1555105 | CIF | C8 H10 O4 | P c a 21 | 10.571; 5.838; 12.338 90; 90; 90 | 761.4 | Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks. Organic letters, 2015, 17, 3604-3607 |
1555320 | CIF | C21 H17 N | P c a 21 | 20.9818; 8.85852; 8.04013 90; 90; 90 | 1494.4 | Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri A Molecular Seesaw Balance: Evaluation of Solvent and Counteranion Effects on Pyridinium-π Interactions. Organic letters, 2015, 17, 4862-4865 |
1555425 | CIF | C39 H46 N2 Si2 | P c a 21 | 13.9869; 12.5966; 19.4789 90; 90; 90 | 3431.9 | Kornev, Alexander N.; Sushev, Vyacheslav V.; Zolotareva, Natalia V.; Baranov, Evgenii V.; Fukin, Georgy K.; Abakumov, Gleb A. Interaction of Azobenzene and Benzalaniline with Strong Amido Bases. Organic letters, 2015, 17, 6154-6157 |
1555578 | CIF | C24 H19 N0.25 O3 | P c a 21 | 20.6513; 5.9284; 14.7885 90; 90; 90 | 1810.5 | Li, Chao; Jiang, Kun; Ouyang, Qin; Liu, Tian-Yu; Chen, Ying-Chun [3 + 1]- and [3 + 2]-Cycloadditions of Azaoxyallyl Cations and Sulfur Ylides. Organic letters, 2016, 18, 2738-2741 |
1555846 | CIF | C22 H22 O7 | P c a 21 | 15.8269; 5.82087; 20.8138 90; 90; 90 | 1917.5 | Peng, Yu; Xiao, Jian; Xu, Xiao-Bo; Duan, Shu-Ming; Ren, Li; Shao, Yong-Liang; Wang, Ya-Wen Stereospecific Synthesis of Tetrahydronaphtho[2,3-b]furans Enabled by a Nickel-Promoted Tandem Reductive Cyclization. Organic letters, 2016, 18, 5170-5173 |
1556432 | CIF | C33 H26 N2 O3 | P c a 21 | 19.195; 8.503; 30.611 90; 90; 90 | 4996.2 | Tsukao, M.; Hashikawa, Y.; Toyama, N.; Muraoka, M.; Murata, M.; Sasamori, T.; Wakamiya, A.; Murata, Y. Propeller-Shaped Aluminum Complexes with an Azaperylene Core in the Ligands Inorganics, 2019, 7, 109 |
1556437 | CIF | C22 H44 Co N4 Si4 | P c a 21 | 18.7674; 18.103; 17.593 90; 90; 90 | 5977.2 | Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G. Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study Inorganics, 2019, 7, 117 |
1556443 | CIF | C22 H44 N4 Si4 Zn | P c a 21 | 18.8806; 18.056; 17.6133 90; 90; 90 | 6004.5 | Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G. Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study Inorganics, 2019, 7, 117 |
1556664 | CIF | C24 H37 B4 Cr O4 W2 | P c a 21 | 23.323; 14.555; 17.009 90; 90; 90 | 5774 | Bag, R.; Saha, S.; Borthakur, R.; Mondal, B.; Roisnel, T.; Dorcet, V.; Halet, J.-F.; Ghosh, S. Synthesis, Structures and Chemistry of the Metallaboranes of Group 4-9 with M2B5 Core Having a Cross Cluster M-M Bond Inorganics, 2019, 7, 27 |
1556682 | CIF | C15 H33 B10 Cl Ge N2 | P c a 21 | 16.166; 11.279; 12.294 90; 90; 90 | 2241.6 | Liebing, P.; Harmgarth, N.; Zorner, F.; Engelhardt, F.; Hilfert, L.; Busse, S.; Edelmann, F.T. Synthesis and Structural Characterization of Two New Main Group Element Carboranylamidinates Inorganics, 2019, 7, 41 |
1556769 | CIF | C19 H19 N O8 | P c a 21 | 40.692; 5.4524; 16.3546 90; 90; 90 | 3628.6 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
1557057 | CIF | C22 H27 B O2 | P c a 21 | 25.447; 6.3811; 24.281 90; 90; 90 | 3942.7 | Rami, Fabian; Bächtle, Franziska; Plietker, Bernd Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity Catalysis Science & Technology, 2020, 10, 1492-1497 |
1557253 | CIF | C54 H99 Am Br3 O3 P3 | P c a 21 | 28.768; 11.456; 18.185 90; 90; 90 | 5993 | Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E. Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes Chemical Science, 2020, 11, 2770-2782 |
1557254 | CIF | C54 H99 Br3 Nd O3 P3 | P c a 21 | 28.7058; 11.4228; 18.1359 90; 90; 90 | 5946.8 | Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E. Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes Chemical Science, 2020, 11, 2770-2782 |
1557255 | CIF | C54 H99 Br3 Ce O3 P3 | P c a 21 | 28.92; 11.434; 18.209 90; 90; 90 | 6021.2 | Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E. Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes Chemical Science, 2020, 11, 2770-2782 |
1557256 | CIF | C54 H99 Br3 La O3 P3 | P c a 21 | 28.879; 11.4223; 18.2083 90; 90; 90 | 6006.3 | Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E. Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes Chemical Science, 2020, 11, 2770-2782 |
1557257 | CIF | C54 H99 Br3 O3 P3 Pr | P c a 21 | 28.7155; 11.4126; 18.1299 90; 90; 90 | 5941.5 | Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E. Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes Chemical Science, 2020, 11, 2770-2782 |
1557400 | CIF | C22 H26 B Br O2 | P c a 21 | 20.7096; 6.4384; 15.5735 90; 90; 90 | 2076.52 | Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J. The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies Chemical Science, 2020, 11, 3258-3267 |
1557427 | CIF | C19 H33 Cl2 N O10 | P c a 21 | 17.5144; 22.5809; 11.9905 90; 90; 90 | 4742.13 | Jiang, Fan; Wang, Chang-Feng; Wu, Ya-Xing; Li, Hui-Hui; Shi, Chao; Ye, Heng-Yun; Zhang, Yi Nonlinear Optical and Photoluminescence Bistable Responses Accompanied by Tunable Dielectric Behaviors in Crown Inclusions The Journal of Physical Chemistry C, 2020 |
1557554 | CIF | C13 H8 N4 O9 | P c a 21 | 12.16; 8.519; 27.78 90; 90; 90 | 2877.8 | Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Wood, Bryan R. Photochemical Nitration by Tetranitromethane. Part XXX. Product Isolation and Identification in the Photochemical Reaction of Dibenzofuran Acta Chemica Scandinavica, 1996, 50, 587-595 |
1557852 | CIF | C13 H14 O6 S | P c a 21 | 18; 9.537; 7.754 90; 90; 90 | 1331.1 | Yuan, Wei-Hua; Teng, Meng-Ting; Yun, Yang-Fang; Jiang, Nan; Ma, Lin; Sun, Shan-Shan; Yuan, Bo; Tang, Jian; Wu, Qian-Yu; Li, Qian; Zhang, Peng; Morris-Natschke, Susan L; Lee, Kuo-Hsiung Talarolactone A, an Isocoumarin Derivative Fused with Dihydrothiophene with Selective Antimigratory Activity from the Endolichenic Fungus <i>Talaromyces</i> sp. Journal of natural products, 2020 |
1558441 | CIF | C11 H16 O3 S | P c a 21 | 11.942; 5.399; 17.503 90; 90; 90 | 1128.5 | Koskimies, Jorma; Uggla, Rolf; Sundberg, Markku R. A Sulfur-Stabilized Enol Acta Chemica Scandinavica, 1994, 48, 417-422 |
1558536 | CIF | C18 H16 O2 Te | P c a 21 | 18.4073; 13.2209; 6.2891 90; 90; 90 | 1530.5 | Nishiyama, Hiroki; Zheng, Feng; Inagi, Shinsuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tomita, Ikuyoshi Tellurophene-containing π-conjugated polymers with unique heteroatom‒heteroatom interactions by post-element-transformation of an organotitanium polymer Polymer Chemistry, 2020, 11, 4693-4698 |
1558540 | CIF | C19 H21 Cl2 N Ru | P c a 21 | 7.1672; 13.7037; 17.9697 90; 90; 90 | 1764.93 | Chatterjee, Basujit; Kalsi, Deepti; Kaithal, Akash; Bordet, Alexis; Leitner, Walter; Gunanathan, Chidambaram One-pot dual catalysis for the hydrogenation of heteroarenes and arenes Catalysis Science & Technology, 2020, 10, 5163-5170 |
1558770 | CIF | C21 H28 B N | P c a 21 | 12.67; 11.135; 13.004 90; 90; 90 | 1834.6 | Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020 |
1558778 | CIF | C28 H51 B Cl N P Rh | P c a 21 | 21.577; 8.0109; 34.845 90; 90; 90 | 6023 | Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020 |
1558877 | CIF | C212 H260 N20 O76 Zn8 | P c a 21 | 36.4926; 14.6058; 45.4204 90; 90; 90 | 24209.2 | Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D. Inclusion of viologen cations leads to switchable metal-organic frameworks. Faraday discussions, 2021, 225, 414-430 |
1558959 | CIF | C13 H24 B10 | P c a 21 | 18.2149; 8.1437; 12.0108 90; 90; 90 | 1781.64 | Zhang, Jie; Tang, Cen; Xie, Zuowei Magnesium-Mediated sp3 C-H Activation in Cascade Cyclization of 1-Arylethynyl-2-Alkyl-o-Carboranes: Efficient Synthesis of Carborane-Fused Cyclopentanes Chemical Science, 2020 |
1559139 | CIF | C45 H50 Cu F3 N6 O2 | P c a 21 | 19.77529; 13.53091; 15.04125 90; 90; 90 | 4024.7 | Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R. Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films Chemical Science, 2020 |
1559140 | CIF | C44 H50 Cu F3 N6 O3 S | P c a 21 | 20.1211; 13.39232; 15.13962 90; 90; 90 | 4079.65 | Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R. Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films Chemical Science, 2020 |
1559270 | CIF | C54 H77.78 B2 Ir2 O2 P4 | P c a 21 | 18.4602; 18.1913; 16.0356 90; 90; 90 | 5385 | Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Ozerov, Oleg V. Reversible Addition of Ethylene to a Pincer-Based Boryl-Iridium Unit with the Formation of a Bridging Ethylidene Chemical Science, 2020 |
1559408 | CIF HKL | C12 H10 O6 | P c a 21 | 25.006; 5.0337; 8.5646 90; 90; 90 | 1078.05 | Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen (8-Hydroxy-6-methoxy-1-oxo-1<i>H</i>-isochromen-3-yl)methyl formate: a supramolecular framework IUCrData, 2020, 5, x201391 |
1559548 | CIF | C13 H15 Br F N O | P c a 21 | 16.2421; 5.0967; 30.102 90; 90; 90 | 2491.9 | Leung, Joyce C.; Nguyen, Thach T.; Krawiec, Mariusz; Gao, Donghong A.; Reeves, Jonathan T. Development of a Scalable Synthesis of trans-4-Fluorocyclohexylamine via Directed Hydrogenation Organic Process Research & Development, 2020 |
1559711 | CIF | C17 H17 I O | P c a 21 | 13.569; 14.2212; 7.5004 90; 90; 90 | 1447.33 | BLANGETTI, Marco; O’SHEA, Donal F. Crystal Structure of <i>rac</i>-4-Iodo-5-methoxy[2.2]metacylophane; A Rare Example of a Halogenated Metacyclophane with Planar Chirality X-ray Structure Analysis Online, 2020, 36, 45-46 |
1559739 | CIF | C96.25 H87.5 Cl0 F0.25 N8.75 O8.75 P0.25 | P c a 21 | 18.079; 30.1771; 14.9963 90; 90; 90 | 8181.6 | Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens Materials Horizons, 2021, 8, 630-638 |
1559841 | CIF | B9 Dy7 K3 Li3 O27 | P c a 21 | 20.8225; 6.4118; 17.4976 90; 90; 90 | 2336.1 | Chen, P.Y.; Wang, Guirong Syntheses, structure determination and characterization of two novel non-centrosymmetric mixed alkali rare-earth orthoborates: K3Li3RE7(BO3)9 (RE=Dy, Tb) Solid State Sciences, 2020, 108, 106442 |
1559842 | CIF | B9 K3 Li3 O27 Tb7 | P c a 21 | 20.9218; 6.442; 17.5285 90; 90; 90 | 2362.46 | Chen, P.Y.; Wang, Guirong Syntheses, structure determination and characterization of two novel non-centrosymmetric mixed alkali rare-earth orthoborates: K3Li3RE7(BO3)9 (RE=Dy, Tb) Solid State Sciences, 2020, 108, 106442 |
1560190 | CIF | C9 H11 N O3 | P c a 21 | 10.2859; 10.6455; 7.6374 90; 90; 90 | 836.28 | Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines. Chemical science, 2020, 12, 774-779 |
1560236 | CIF | C32 H43 Ba N6 O11 S2 | P c a 21 | 17.6827; 10.4422; 22.5408 90; 90; 90 | 4162.08 | Abou, Diane S.; Thiele, Nikki A.; Gutsche, Nicholas T.; Villmer, Alexandria; Zhang, Hanwen; Woods, Joshua J.; Baidoo, Kwamena E.; Escorcia, Freddy E.; Wilson, Justin J.; Thorek, Daniel L. J. Towards the stable chelation of radium for biomedical applications with an 18-membered macrocyclic ligand Chemical Science, 2021, 12, 3733-3742 |
1560249 | CIF | C38 H44 O P2 | P c a 21 | 11.3956; 15.6766; 18.1208 90; 90; 90 | 3237.18 | Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337 |
1560298 | CIF | C22 H21 B F2 N2 O2 | P c a 21 | 12.6493; 9.244; 18.0005 90; 90; 90 | 2104.8 | Meazza, Marta; Cruz, Carlos M.; Ortuño, Ana M.; Cuerva, Juan M.; Crovetto, Luis; Rios, Ramon Studying the reactivity of alkyl substituted BODIPYs: first enantioselective addition of BODIPY to MBH carbonates Chemical Science, 2021, 12, 4503-4508 |
1560409 | CIF | B9 K3 Li3 O27 Y7 | P c a 21 | 20.7431; 6.3873; 17.4741 90; 90; 90 | 2315.19 | Bräuchle, Sebastian; Huppertz, Hubert Synthesis and structural characterization of Li3K3Y7(BO3)9 Journal of Solid State Chemistry, 2017, 253, 242-248 |
1560484 | CIF | H O5 Te V | P c a 21 | 11.0445; 7.008; 4.9633 90; 90; 90 | 384.16 | Liang, Ming-Li; Marsh, Matthew; Shang, Xian-Xing; Mao, Jiang-Gao; Albrecht-Schmitt, Thomas E.; Kong, Fang New vanadium tellurites: Syntheses, structures, optical properties of noncentrosymmetric VTeO 4 (OH), centrosymmetric Ba 2 V 4 O 8 (Te 3 O 10 ) Journal of Solid State Chemistry, 2017, 249, 21-26 |
1560486 | CIF | C26 H16 F4 N2 O2 | P c a 21 | 23.488; 13.488; 6.8185 90; 90; 90 | 2160.1 | Hamatani, Shota; Kitagawa, Daichi; Kobatake, Seiya Fast T-Type Photochromic Crystals of Diarylbenzene The Journal of Physical Chemistry C, 2021 |
1560720 | CIF | C42 H48 N8 S6 | P c a 21 | 14.1011; 14.1412; 41.847 90; 90; 90 | 8344.6 | Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Maaliki, Carine; Jacquemin, Johan; Huang, Feihe; Khashab, Niveen M. Selective adsorptive separation of cyclohexane over benzene using thienothiophene cages Chemical Science, 2021, 12, 5315-5318 |
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