Crystallography Open Database
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Result: there are 445 entries in the selection
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Searching journal of publication like 'Chemical Science' volume of publication is 4
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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1514601 | CIF | C8 H10 O4 | P -1 | 6.6342; 7.2435; 9.0416 101.074; 109.754; 99.964 | 387.76 | Huang, Xueliang; Klimczyk, Sebastian; Veiros, Luís F.; Maulide, Nuno Stereoselective intramolecular cyclopropanation through catalytic olefin activation Chemical Science, 2013, 4, 1105 |
1514812 | CIF | C5 H11 F4 N2 P | P -1 | 7.375; 7.56; 8.6846 74.688; 76.04; 62.6 | 410.6 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514606 | CIF | C8 H15 F6 N2 P | P -1 | 8.8215; 9.0796; 9.0381 96.671; 114.768; 103.071 | 621.82 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
1514715 | CIF | C16 H12 N O2 S | P 1 | 6.0479; 8.1021; 14.5564 81.543; 83.748; 72.375 | 670.83 | Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science, 2013, 4, 2163 |
1514708 | CIF | C15 H8 F5 N O3 | P 1 21 1 | 7.89; 5.6; 16.51 90; 102.65; 90 | 712 | McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C. Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors Chemical Science, 2013, 4, 2028 |
1515362 | CIF | C14 H19 N3 S | P -1 | 7.466; 8.049; 13.472 82.276; 82.154; 63.734 | 716.7 | 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 |
1514773 | CIF | C24 H14 | P 1 21/c 1 | 11.6522; 5.4552; 11.4821 90; 90.607; 90 | 729.82 | Shan, Liang; Liang, Zhixiong; Xu, Xiaomin; Tang, Qin; Miao, Qian Revisiting zethrene: synthesis, reactivity and semiconductor properties Chemical Science, 2013, 4, 3294 |
1514727 | CIF | C16 H14 Cl2 O4 | P -1 | 3.9099; 13.413; 14.207 82.606; 86.888; 82.453 | 731.9 | 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 |
1514690 | CIF | C16 H23 N O2 | P -1 | 8.796; 8.8679; 10.3885 75.311; 80.306; 71.263 | 738.95 | Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines Chemical Science, 2013, 4, 2241 |
1514716 | CIF | C13 H13 F3 N2 O4 S | P -1 | 6.2339; 8.9683; 14.0067 81.624; 89.228; 75.671 | 750.42 | Samanta, Ramesh C.; De Sarkar, Suman; Fröhlich, Roland; Grimme, Stefan; Studer, Armido N-Heterocyclic carbene (NHC) catalyzed chemoselective acylation of alcohols in the presence of amines with various acylating reagents Chemical Science, 2013, 4, 2177 |
1514631 | CIF | C15 H15 F N4 O4 | P -1 | 8.78113; 10.06607; 10.5609 105.871; 72.7172; 71.1516 | 769.83 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
1514607 | CIF | C16 H16 N2 O5 S | P 1 21 1 | 4.92063; 15.6607; 10.4554 90; 99.6328; 90 | 794.34 | Iwai, Yuri; Ozaki, Takashi; Takita, Ryo; Uchiyama, Masanobu; Shimokawa, Jun; Fukuyama, Tohru Modified McFadyen‒Stevens reaction for a versatile synthesis of aliphatic/aromatic aldehydes: design, optimization, and mechanistic investigations Chemical Science, 2013, 4, 1111 |
1515371 | CIF | C15 H19 F3 N2 O S | P -1 | 5.2392; 11.02; 14.5788 75.946; 79.884; 79.501 | 795.2 | 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 |
1514832 | CIF | C30 H52 Fe N2 Si2 | P -1 | 8.8101; 9.1759; 11.1624 102.467; 92.503; 113.932 | 796.59 | Zadrozny, Joseph M.; Atanasov, Mihail; Bryan, Aimee M.; Lin, Chun-Yi; Rekken, Brian D.; Power, Philip P.; Neese, Frank; Long, Jeffrey R. Slow magnetization dynamics in a series of two-coordinate iron(ii) complexes Chemical Science, 2013, 4, 125 |
1514675 | CIF | C20 H13 N3 S | P -1 | 8.3008; 10.0109; 10.1613 76.211; 79.041; 87.821 | 805.07 | Qin, Xurong; Liu, Hu; Qin, Dekun; Wu, Qian; You, Jingsong; Zhao, Dongbing; Guo, Qiang; Huang, Xiaolei; Lan, Jingbo Chelation-assisted Rh(iii)-catalyzed C2-selective oxidative C‒H/C‒H cross-coupling of indoles/pyrroles with heteroarenes Chemical Science, 2013, 4, 1964 |
1514701 | CIF | C16 H20 N2 O3.33 | P 1 21 1 | 9.4884; 7.3139; 12.2804 90; 105.801; 90 | 820.02 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514672 | CIF | C22 H18 O4 | P 1 21/n 1 | 11.675; 5.0054; 14.303 90; 98.451; 90 | 826.8 | Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science, 2013, 4, 2369 |
1514648 | CIF | C20.5 H13 Cl N3 | P -1 | 8.1851; 8.5344; 13.5521 94.129; 99.175; 114.976 | 836.84 | Koenig, Matthias; Bottari, Giovanni; Brancato, Giuseppe; Barone, Vincenzo; Guldi, Dirk M.; Torres, Tomás Unraveling the peculiar modus operandi of a new class of solvatochromic fluorescent molecular rotors by spectroscopic and quantum mechanical methods Chemical Science, 2013, 4, 2502 |
1514707 | CIF | C17 H17 N O6 S | P -1 | 5.707; 7.877; 18.99 98.61; 91.4; 91.03 | 844 | McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C. Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors Chemical Science, 2013, 4, 2028 |
1514456 | CIF | C9 H12 N5 O12 Y | P -1 | 7.4349; 10.63; 11.657 68.02; 88.31; 87.44 | 853.4 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
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