Crystallography Open Database

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1000355 CIFCr Cu P2 S6P 1 c 15.935; 10.282; 13.368
90; 106.78; 90		781Maisonneuve, V; Cajipe, V B; Payen, C
Low-temperature neutron powder diffraction study of CuCrP~2~S~6~: observation of an ordered, antipolar copper sublattice
Chemistry of Materials (1,1989-, 1993, 5, 758-760
1501608 CIFC14 H15 N5P 1 c 19.0317; 6.3945; 22.5874
90; 99.588; 90		1286.27Olivier LeBel; Thierry Maris; Hugues Duval; James D. Wuest
A practical guide to arylbiguanides — Synthesis and structural characterization
Can. J. Chem., 2005, 83, 615-625
1502181 CIFC22 H16 O2P 1 c 116.095; 7.1088; 7.0468
90; 102.5; 90		787.16Luo, Tuoping; Dai, Mingji; Zheng, Shao-Liang; Schreiber, Stuart L.
Syntheses of α-pyrones using gold-catalyzed coupling reactions.
Organic letters, 2011, 13, 2834-2836
1502289 CIFC15 H10 F2 N2 O5P 1 c 14.8822; 14.1165; 10.0699
90; 93.89; 90		692.41Ren, Changliang; Xu, Shengyu; Xu, Jun; Chen, Hongyu; Zeng, Huaqiang
Planar macrocyclic fluoropentamers as supramolecular organogelators.
Organic letters, 2011, 13, 3840-3843
1502498 CIFC37 H40 O8P 1 c 111.743; 5.2952; 25.14
90; 93.61; 90		1560.1Snyder, Scott A.; Brill, Zachary G.
Structural revision and total synthesis of caraphenol B and C.
Organic letters, 2011, 13, 5524-5527
1503291 CIFC25 H37 I O SiP 1 c 111.0609; 8.0727; 14.9313
90; 109.045; 90		1260.26Pradal, Alexandre; Nasr, Alexandre; Toullec, Patrick Y.; Michelet, Veronique
Room-temperature metal-free electrophilic 5-endo-selective iodocarbocyclization of 1,5-enynes.
Organic letters, 2010, 12, 5222-5225
1503413 CIFC22 H23 N O3P 1 c 15.857; 19.125; 16.336
90; 90.26; 90		1829.9Grenning, Alexander J.; Tunge, Jon A.
Rapid decarboxylative allylation of nitroalkanes.
Organic letters, 2010, 12, 740-742
1503968 CIFC12 H14 N2 O2P 1 c 111.2189; 11.3198; 8.7223
90; 92.1671; 90		1106.9Oakdale, James S.; Solano, Danielle M.; Fettinger, James C.; Haddadin, Makhluf J.; Kurth, Mark J.
An oxazolo[3,2-b]indazole route to 1H-indazolones.
Organic letters, 2009, 11, 2760-2763
1504046 CIFC16 H25 N O2 SP 1 c 16.119; 13.231; 20.15
90; 91.94; 90		1630Wang, Bing; Wang, Yong-Jun
SmI2-promoted intramolecular asymmetric pinacol-type ketone-tert-butanesulfinyl imine reductive coupling: stereoselectivity and mechanism.
Organic letters, 2009, 11, 3410-3413
1504125 CIFC18 H21 O6P 1 c 17.4578; 15.834; 7.0431
90; 111.745; 90		772.5Geng, Chang-An; Jiang, Zhi-Yong; Ma, Yun-Bao; Luo, Jie; Zhang, Xue-Mei; Wang, Hong-Ling; Shen, Yong; Zuo, Ai-Xue; Zhou, Jun; Chen, Ji-Jun
Swerilactones A and B, anti-HBV new lactones from a tradtional Chinese herb: Swertia mileensis as a treatment for viral hepatitis.
Organic letters, 2009, 11, 4120-4123
1504739 CIFC14 H13 N O4P 1 c 16.3701; 13.0956; 7.4352
90; 100.464; 90		609.93Chen, Jian; Liu, Qiang; Zhang, Weicheng; Spinella, Stephen; Lei, Aiwen; Zhang, Xumu
A convenient synthesis and the asymmetric hydrogenation of N-phthaloyl dehydroamino acid esters.
Organic letters, 2008, 10, 3033-3036
1505038 CIFC35 H36 Cl2 N4 O2 RuP 1 c 19.872; 9.6208; 17.434
90; 104.05; 90		1606.3Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K.
Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy.
Journal of medicinal chemistry, 2007, 50, 6343-6355
1505040 CIFC35 H36 Cl2 N4 O2 OsP 1 c 19.876; 9.6263; 17.46
90; 104.32; 90		1608.3Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K.
Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy.
Journal of medicinal chemistry, 2007, 50, 6343-6355
1506315 CIFC24 H17 Cl N2 O2P 1 c 18.7336; 7.8955; 14.484
90; 95.04; 90		994.9Liang, Yong; Jiao, Lei; Wang, Yuanyuan; Chen, Yuanyuan; Ma, Linge; Xu, Jiaxi; Zhang, Shiwei; Yu, Zhi-Xiang
Nitrene equivalent mediated metal-free ring expansions of alkylidenecyclopropanes and an alkylidenecyclobutane.
Organic letters, 2006, 8, 5877-5879
1506329 CIFC18.5 H15.5 Cl2 N7 O Re S2P 1 c 18.1375; 15.0204; 19.429
90; 95.29; 90		2364.66Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon
N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides
Bioconjugate Chemistry, 2005, 16, 885
1506902 CIFC9 H12 Cl2 O4 S2P 1 c 19.9279; 7.8341; 15.8873
90; 95.946; 90		1229.01Block, Eric; Jeon, Hak Rim; Zhang, Shao-Zhong; Dikarev, Evgeny V.
Chloromethanesulfonylethene and dichloromethanesulfonylethene: new reagents for tandem Diels-Alder/Ramberg-Bäcklund reactions.
Organic letters, 2004, 6, 437-440
1507441 CIFC24 H21 N2 O3 P SP 1 c 19.76; 9.994; 12.081
90; 107.99; 90		1120.8Moss, Robert A.; Gong, Paul K.; Morales-Rojas, Hugo
Stereochemical Study of Phosphonothioate Cleavage by a Metallomicelle
Organic Letters, 2002, 4, 1835
1507569 CIFC14 H15 N3 OP 1 c 113.1836; 5.4727; 8.6078
90; 92.362; 90		620.52Ryabchuk, Pavel; Rubina, Marina; Xu, Jack; Rubin, Michael
Formal nucleophilic substitution of bromocyclopropanes with azoles.
Organic letters, 2012, 14, 1752-1755
1507880 CIFC51 H36 F6 Mn N4 SbP 1 c 110.575; 15.748; 13.296
90; 99.848; 90		2181.6Ozawa, Takuya; Kurahashi, Takuya; Matsubara, Seijiro
Manganese porphyrin catalyzed cycloisomerization of enynes.
Organic letters, 2012, 14, 3008-3011
1508613 CIFC37 H40 Ag F3 N8 O11 SP 1 c 113.3597; 11.0412; 18.9587
90; 133.837; 90		2017.2Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke
Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.
Organic letters, 2012, 14, 4576-4579
1509964 CIFAg7 Nb S6P 1 c 17.368; 14.77; 12.768
90; 124.28; 90		1148.12Onoda, M.; Wada, H.; Ishii, M.; Tansho, M.
Crystal structures of low-temperature phases (phase II) of ionic conductors Ag7 Ta S6 and Ag7 Nb S6
Journal of Alloys Compd., 1997, 262, 39-44
1510497 CIFAu3 F22 Sb3P 1 c 19.9908; 10.7278; 15.2221
90; 95.304; 90		1624.51Hwang, I.-C.; Seppelt, K.
The reduction of Au F3 in super acidic solution
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 765-769
1512167 CIFC18 H12 N2 OP 1 c 15.4055; 9.6991; 12.7818
90; 100.422; 90		659.07Li, Zhan-Shan; Wang, Wei-Xia; Yang, Ji-Dong; Wu, Yue-Wei; Zhang, Wei
Photoinduced and N-Bromosuccinimide-Mediated Cyclization of 2-Azido-N-phenylacetamides.
Organic letters, 2013, 15, 3820-3823
1512281 CIFC9 H11 B F3 N O4P 1 c 121.215; 10.0689; 10.6637
90; 96.454; 90		2263.5Duncton, Matthew A. J.; Singh, Rajinder
Synthesis of trans-2-(Trifluoromethyl)cyclopropanes via Suzuki Reactions with an N-Methyliminodiacetic Acid Boronate.
Organic letters, 2013, 15, 4284-4287
1512693 CIFC10 H14 N2 O4 PtP 1 c 17.27; 12.841; 7.602
90; 121.52; 90		605Esther Escribano; Merce Font-Bardia; Teresa Calvet; Julia Lorenzo; Patrick Gamez; Virtudes Moreno
DNA binding studies of a series of cis-[Pt(Am)2X2] complexes (Am = inert amine, X = labile carboxylato ligand)
Inorganica Chimica Acta, 2012, 393, 65-76
1512716 CIFC39.75 H43.5 Br4 Cl1.5 F3 N3 O6 Ru SP 1 c 18.8334; 14.049; 18.822
90; 100.719; 90		2295.1Ho-Yuen Ng; Ngai-Man Lam; Min Yang; Xiao-Yi Yi; Ian D. Williams; Wa-Hung Leung
Ruthenium(VI) nitrido complexes with a sterically bulky bidentate Schiff base ligand
Inorganica Chimica Acta, 2012, 393, 171-175
1512926 CIFC5 H20 Br3 La O5P 1 c 110.1803; 14.794; 10.6387
90; 106.532; 90		1536Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre
Structural characterization of methanol substituted lanthanum halides
Polyhedron, 2010, 29, 1784-1795
1513170 CIFC8 H10 N5 OP 1 c 116.512; 5.3679; 10.385
90; 94.041; 90		918.2Ivanova, Bojidarka; Spiteller, Michael
A novel UV-MALDI-MS analytical approach for determination of halogenated phenyl-containing pesticides
Ecotoxicology and Environmental Safety, 2013, 91, 86-95
1513814 CIFC17 H18 F N O2 SP 1 c 16.1325; 7.0271; 34.947
90; 90.605; 90		1505.9Cui, Jian; Jia, Qun; Feng, Ruo-Zhu; Liu, Shan-Shan; He, Tian; Zhang, Chi
Boron trifluoride etherate functioning as a fluorine source in an iodosobenzene-mediated intramolecular aminofluorination of homoallylic amines.
Organic letters, 2014, 16, 1442-1445
1514504 CIFC15 H33 Cl N5 Ni O6P 1 c 17.7299; 7.7263; 17.8514
90; 100.673; 90		1047.7Cho, Jaeheung; Kang, Hye Yeon; Liu, Lei V.; Sarangi, Ritimukta; Solomon, Edward I.; Nam, Wonwoo
Mononuclear nickel(II)-superoxo and nickel(III)-peroxo complexes bearing a common macrocyclic TMC ligand.
Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 1502-1508
1514884 CIFC23 H26 N4 O2P 1 c 117.848; 16.102; 22.302
90; 110.45; 90		6005Alsarraf, Jérome; Robert, Frédéric; Cramail, Henri; Landais, Yannick
Latent catalysts based on guanidine templates for polyurethane synthesis
Polymer Chemistry, 2013, 4, 904
1514982 CIFC28 H22 Co O5 Pt S4P 1 c 111.3784; 11.822; 22.0722
90; 90.429; 90		2969Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.
Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions
Chemical Science, 2012, 3, 602
1515307 CIFC209 H338 Ag16 Cl18 I32 N16P 1 c 112.263; 24.775; 24.888
90; 91.51; 90		7559Xu, Biao; Wang, Ruji; Wang, Xun
Simplifying the growth of hybrid single-crystals by using nanoparticle precursors: the case of AgI.
Nanoscale, 2012, 4, 2713-2719
1515339 CIFC16 H12 O S6P 1 c 122.338; 4.7901; 17.757
90; 113.326; 90		1744.7Kaur, Sandeep; Findlay, Neil J.; Kanibolotsky, Alexander L.; Elmasly, Saadeldin E. T.; Skabara, Peter J.; Berridge, Rory; Wilson, Claire; Coles, Simon J.
Electrochromic properties of a poly(dithienylfuran) derivative featuring a redox-active dithiin unit
Polymer Chemistry, 2012, 3, 2277
1515860 CIFC52 H50 O4P 1 c 112.9195; 26.1804; 13.8321
90; 114.575; 90		4254.73Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors
Chemical Science, 2010, 1, 102
1516180 CIFC60 H30 Cl8 O4P 1 c 18.3157; 38.967; 14.2436
90; 91.718; 90		4613.4Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.
Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924
1516365 CIFC6 H5 N5 O6P 1 c 17.309; 5.169; 11.583
90; 95.22; 90		435.8Kohno, Yuji; Hiyoshi, Reiko I.; Yamaguchi, Yoshitaka; Matsumoto, Shinya; Koseki, Atsushi; Takahashi, Osamu; Yamasaki, Katsuyoshi; Ueda, Kazuyoshi
Molecular dynamics studies of the structural change in 1,3-diamino-2,4,6-trinitrobenzene (DATB) in the crystalline state under high pressure.
The journal of physical chemistry. A, 2009, 113, 2551-2560
1516519 CIFC16 H16 N2 O5P 1 c 110.838; 11.225; 13.268
90; 107.879; 90		1536.2Manin, Alex N.; Voronin, Alexander P.; Manin, Nikolay G.; Vener, Mikhail V.; Shishkina, Anastasia V.; Lermontov, Anatoly S.; Perlovich, German L.
Salicylamide cocrystals: screening, crystal structure, sublimation thermodynamics, dissolution, and solid-state DFT calculations.
The journal of physical chemistry. B, 2014, 118, 6803-6814
1516612 CIFC17 H11 F O2P 1 c 16.879; 3.929; 23.459
90; 90.35; 90		634Vishnumurthy, Kodumuru; Guru Row, Tayur N.; Venkatesan, Kailasam
Photochemical behaviour of 4-styrylcoumarin polymorphs in the crystalline state
Photochemical & Photobiological Sciences, 2002, 1, 799
1516906 CIFC12 H9 Br2 O4 PP 1 c 111.7769; 4.7093; 13.1053
90; 109.462; 90		685.3Payal Malik; Debashis Chakraborty
Hydrogen phosphates: Self initiated organocatalysts for the controlled ring-opening polymerization of cyclic esters
Inorganica Chimica Acta, 2013, 400, 32-41
1516952 CIFC72 H64 N2 O10 P2 S4 Sn2P 1 c 113.7321; 10.5102; 23.2601
90; 97.74; 90		3326.48Radu F. Semeniuc; Robert R. Baum; Jedidiah J. Veach; Kraig A. Wheeler; Perry J. Pellechia
Metal complexes of ditopic dithiophosphonate ligands built on a naphthalenediimide core
Inorganica Chimica Acta, 2013, 400, 228-238
1517605 CIFC30 H26 N2 O10 Zn2P 1 c 17.1781; 14.0979; 16.0641
90; 121.726; 90		1382.71Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang
Influential factors on assembly of first-row transition metal coordination polymers
Inorganica Chimica Acta, 2013, 403, 53-62
1517912 CIFC32 H24 As F3 OP 1 c 112.3316; 10.387; 20.2159
90; 100.383; 90		2547Bhunia, Anup; Roy, Tony; Gonnade, Rajesh G.; Biju, Akkattu T.
Rapid access to benzoxaphospholes and their spiro analogues by a three-component coupling involving arynes, phosphines, and activated ketones.
Organic letters, 2014, 16, 5132-5135
1518095 CIFC8 H6 K4 O20 Ru2P 1 c 16.966; 12.248; 14.79
90; 128.12; 90		992.7Deloume, J. P.; Duc, G.; Faure, R.; Thomas-David, G.
Revue de Chimie Minerale, 1985, 22, 728-738
1519057 CIFC H2 O7 P2 Sb2P 1 c 14.6935; 7.2515; 11.1025
90; 94.724; 90		376.59Brian A. Adair; Graciela Diaz de Delgado; J. Miguel Delgado; Anthony K. Cheetham
On the synthesis and characterization of open-framework antimony(III) diphosphonates
Solid State Sciences, 2000, 2, 119-126
1519533 CIFC24 H14 Br2 Fe O2P 1 c 115.9575; 8.8522; 13.7492
90; 101.905; 90		1900.42Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.
C24H14Br2FeO2
Crystal Structure Report Archive, 2003, 917
1520589 CIFC45 H70 ThP 1 c 112.658; 10.48; 18.889
90; 127; 90		2001Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.
C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study
Chem. Sci., 2015, 6, 4897
1520626 CIFC49 H80 F N O7P 1 c 18.7551; 12.7463; 22.1115
90; 92.0698; 90		2465.93Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique
Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity
Chem. Sci., 2015, 6, 5293
1521926 CIFBi2 I9 Rb3P 1 c 114.69; 8.195; 25.645
90; 125.39; 90		2516.82Sidey, V.I.; Voroshilov, Yu.V.; Kun, S.V.; Peresh, E.Yu.
Crystal growth and X-ray structure determination of Rb3 Bi2 I9
Journal of Alloys Compd., 2000, 296, 53-58
1521989 CIFLa Te2P 1 c 19.19; 9.107; 9.07
90; 90.04; 90		759.098Stoewe, K.
Crystal structure and electronic band structure of La Te2
Journal of Solid State Chemistry, 2000, 149, 155-166

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