Crystallography Open Database

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7105445 CIFC15 H21 N O3P 1 21/a 19.7517; 13.5852; 11.0154
90; 95.266; 90
1453.15Smith, Keith; El-Hiti, Gamal A; Hegazy, Amany S
One-pot synthesis of substituted isoindolin-1-ones via lithiation and substitution of N'-benzyl-N,N-dimethylureas.
Chemical communications (Cambridge, England), 2010, 46, 2790-2792
7106335 CIFC20 H21 N O3 SP 1 21/a 17.8824; 13.2869; 17.5082
90; 98.799; 90
1812.1Youjung Park; Sun Young Kim; Ji Hoon Park; Jieun Cho; Youn Kyung Kang; Young Keun Chung
Gold(I)-catalyzed cycloisomerization of alkynyl hydroxyallyl tosylamides to 4-oxa-6-azatricyclo[3.3.0.02,8]octanes
Chem.Commun., 2011, 47, 5190
7106364 CIFC16 H17 Cl2 F6 N Si TiP 1 21/a 18.519; 23.699; 10.892
90; 110.026; 90
2066Hayato Tsurugi; Haruki Nagae; Kazushi Mashima
First isolation of fully delocalized mixed-valent imido-bridged [Ti2]7+ complexes by one-electron reduction of [(C5R5)TiCl]2(m-NAr)2
Chem.Commun., 2011, 47, 5620
7106456 CIFC57 H73 Cl2 Cu F6 N O P2 SbP 1 21/a 118.33; 18.284; 18.673
90; 110.23; 90
5872Yumiko Nakajima; Yu Shiraishi; Takahiro Tsuchimoto; Fumiyuki Ozawa
Synthesis and coordination behavior of Cy(I) bis(phosphaethenyl)pyridine complexes.
Chem.Commun., 2011, 47, 6332
7106562 CIFC83 H66 Ag7 F42 N31P 1 21/a 113.2664; 38.8979; 20.6041
90; 102.919; 90
10363.3Chi Yang; Oussama Elbjeirami; Chammi S. Palehepitiya Gamage; H. V. Rasika Dias; Mohammad A. Omary
Luminescence enhancement and tuning via multiple cooperative supramolecular interactions in an ion-paired multinuclear complex
Chem.Commun., 2011, 47, 7434
7106672 CIFC30 H42 B F2 N3 O4P 1 21/a 118.0991; 10.0405; 18.2608
90; 113.74; 90
3037.62Hiromitsu Maeda; Kota Kinoshita; Kazumasa Naritani; Yuya Bando
Self-sorting self-complementary assemblies of p-conjugated acyclic anion receptors
Chem.Commun., 2011, 47, 8241
7106785 CIFC17 H27 Al F N3 O6P 1 21/a 113.9007; 7.1927; 19.9931
90; 106.473; 90
1916.9Dinesh Shetty; Soo Young Choi; Jae Jeong; Ji Youn Lee; Lathika Hoigebazar; Yun-Sang Lee; Dong Soo Lee; June-Key Chung; Myung Chul Lee; Young Keun Chung
Stable aluminium fluoride chelates with triazacyclononane derivatives proved by X-ray crystallography and 18F-labeling study
Chem.Commun., 2011, 47, 9732
7106976 CIFC48 H54 Li6 O18P 1 21/a 112.0342; 16.482; 12.6028
90; 111.669; 90
2323.1Mayte Munoz; Carmen Urbaneja; Manuel Temprado; Marta E. G. Mosquera; Tomas Cuenca
Lewis acid fragmentation of a lithium aryloxide cage: generation of new heterometallic aluminium-lithium species
Chem.Commun., 2011, 47, 11757-11759
7107874 CIFC16 H36 N4 P2 Se4P 1 21/a 111.28; 14.75; 15.584
90; 95.303; 90
2581.77Tristram Chivers; Andreas Nordheider; Ramalingam Thirumoorthi; Ignacio Vargas-Baca; J. Derek Woollins
Planar P6E6 (E = Se, S) macrocycles incorporating P2N2 scaffolds
Chem.Commun., 2012, 48, 6346
7108517 CIFC12 H9 I O2P 1 21/a 17.714; 18.219; 8.198
90; 97.004; 90
1143.6Hai-Tao Zhu; Xue Dong; Li-Jing Wang; Mei-Jin Zhong; Xue-Yuan Liu; Yong-Min Liang
Facile synthesis of 2-iodo-spiro[indene-1,1'-isobenzofuran]-3'-ones via iodine-promoted cascade cyclization
Chem.Commun., 2012, 48, 10748
7109311 CIFC9 H2 N O2P 1 21/a 19.3552; 6.626; 11.1029
90; 101.373; 90
674.73Shin-ichiro Kawano; Martin Baumgarten; Dennis Chercka; Volker Enkelmann; Klaus Mullen
Electron donors and acceptors based on 2,7-functionalized pyrene-4,5,9,10-tetraone
Chem.Commun., 2013, 49, 5058
7109388 CIFC11 H10 F3 N OP 1 21/a 18.6562; 19.9373; 12.6769
90; 102.331; 90
2137.3Yu-Tao He; Lian-Hua Li; Yan-Fang Yang; Yu-Qi Wang; Jian-Yi Luo; Xue-Yuan Liu; Yong-Min Liang
Copper-catalyzed synthesis of trifluoromethyl-substituted isoxazolines
Chem.Commun., 2013, 49, 5687
7109391 CIFC13 H12 N2 O5 PdP 1 21/a 16.8562; 20.45; 9.9565
90; 102.657; 90
1362.1Tetsushi Yoshidomi; Yasutomo Segawa; Kenichiro Itami
Pyridine-based dicarbene ligand; synthesis and structure of a bis-2-pyridylidene palladium complex
Chem.Commun., 2013, 49, 5648
7109703 CIFC17 H13 F6 N SP 1 21/a 111.9922; 8.6729; 16.3046
90; 94.157; 90
1691.3Shouzhi Pu; Chunhong Zheng; Qi Sun; Gang Liu; Congbin Fan
Enhancement of cyclization quantum yields of perfluorodiarylethenes via weak intramolecular interactions
Chem.Commun., 2013, 49, 8036
7110399 CIFC15 H18 O3P 1 21/a 19.919; 12.587; 11.624
90; 112.71; 90
1338.7Arai, Shigeru; Shirai, Yoshiki; Shioiri, Takayuki; Ishida, Toshimasa
Phase-transfer catalyzed asymmetric Darzens reaction of cyclic α-chloro ketones
Chemical Communications, 1999, 49
7110403 CIFC16 H13 N3P 1 21/a 113.606; 9.042; 11.073
90; 103.38; 90
1325.3Bell, Paul C.; Wallis, John D.
Addition of nucleophiles to electron-deficient alkenes: structural studies on the incipient reaction and the zwitterionic intermediate
Chemical Communications, 1999, 257
7110500 CIFC29 H31 N O4P 1 21/a 118.7886; 7.41628; 19.364
90; 116.209; 90
2420.8Kuster, George J.; Kalmoua, Faysal; Scheeren, Hans W.; de Gelder, Rene
A simple entry towards novel bi- and tricyclic N-oxy-β-lactams by high pressure promoted tandem [4 + 2]/[3 + 2] cycloadditions of enol ethers and β-nitrostyrene
Chemical Communications, 1999, 855
7110592 CIFC7 H10 O3P 1 21/a 113.686; 4.231; 14.108
90; 117.924; 90
721.8Mori, Takashi; Oku, Akira
Catalysis of chlorosilane on the ring-expansion of cyclic acetals bearing a carbene precursor. Lewis acid‒base effect on the oxonium ylide intermediate
Chemical Communications, 1999, 1339
7110628 CIFC15 H16 O5 S4P 1 21/a 19.321; 15.481; 12.756
90; 105.06; 90
1777.5Alan Aitken, R.; Hill, Lawrence; Lightfoot, Philip; Wilson, Neil J.
New reactions of cyclic sulfoxides under Pummerer conditions
Chemical Communications, 1999, 1673
7110854 CIFC19 H17 Cl N4 O3 VP 1 21/a 117.07; 9.82; 11.51
90; 94.03; 90
1925Tolis, Evangelos J.; Soulti, Kalliopi D.; Kabanos, Themistoklis A.; Raptopoulou, Catherine P.; Terzis, Aris; Deligiannakis, Yiannis
Structural, electron paramagnetic resonance and electron spin echo envelope modulation studies of oxovanadium(iv)‒amidate compounds containing monoanionic axial ligands: effect on the 51V-hyperfine coupling constants
Chemical Communications, 2000, 601
7110979 CIFC17 H31 Cl2 N3 O8 S2 ZnP 1 21/a 116.0431; 9.2753; 19.5165
90; 111.117; 90
2709.1Berreau, Lisa M.; Allred, Russell A.; Makowska-Grzyska, Magdalena M.; Arif, Atta M.
Synthesis and structure of a nitrogen/sulfur-ligated zinc hydroxide complex
Chemical Communications, 2000, 1423
7111058 CIFC18 H16 O4P 1 21/a 17.9346; 14.3035; 13.3949
90; 102.181; 90
1485.99Houjou, Hirohiko; Lee, Sung-Kil; Hishikawa, Yukio; Nagawa, Yoshinobu; Hiratani, Kazuhisa
Highly selective formation of 2∶2 macrocycles from a novel hydroxybenzaldehyde derivative and diamines
Chemical Communications, 2000, 2197
7111131 CIFC19 H24 O3P 1 21/a 113.881; 6.362; 18.179
90; 97.77; 90
1590.7Cheung, Eugene; Kang, Ting; Scheffer, John R.; Trotter, James
Latent chemical behavior revealed in the crystalline state: novel photochemistry of a cis-9-decalyl aryl ketone
Chemical Communications, 2000, 2309
7111186 CIFC15 H23 F2 N O4P 1 21/a 114.9117; 7.5944; 14.8779
90; 100.353; 90
1657.4Kariuki, Benson M.; Owton, W. Martin; Percy, Jonathan M.; Pintat, Stéphane; Smith, Clive A.; Spencer, Neil S.; Thomas, Andrew C.; Watson, Martin
Rapid assembly of highly-functionalised difluorinated cyclooctenones via ring-closing metathesis
Chemical Communications, 2002, 228
7111203 CIFC17 H23 F2 O6 P SP 1 21/a 19.9968; 16.8039; 12.5119
90; 104.776; 90
2032.3Butt, Afshan H.; Kariuki, B. M.; Percy, Jonathan M.; Spencer, Neil S.
Towards stable analogues of inositol phosphates: stereoselective syntheses of (α,α-difluoromethyl)phosphonic acid (DFMPA)-containing cyclohexanes
Chemical Communications, 2002, 682
7111473 CIFC24 H36 F12 N2 O5 P2 RuP 1 21/a 115.511; 12.878; 16.84
90; 106.376; 90
3227.3Hayashi, Hideki; Ogo, Seiji; Fukuzumi, Shunichi
Aqueous hydrogenation of carbon dioxide catalysed by water-soluble ruthenium aqua complexes under acidic conditions
Chemical Communications, 2004, 2714-2715
7111647 CIFC16 H18 Cl N3P 1 21/a 111.5121; 10.1069; 12.4276
90; 93.638; 90
1443.06Banert, Klaus; Hagedorn, Manfred; Wutke, Jens; Ecorchard, Petra; Schaarschmidt, Dieter; Lang, Heinrich
Elusive ethynyl azides: trapping by 1,3-dipolar cycloaddition and decomposition to cyanocarbenes
Chemical Communications, 2010, 46, 4058
7111683 CIFC92 H116 O8P 1 21/a 18.8608; 27.2688; 16.3205
90; 95.592; 90
3924.6Zhang, Liang; Gopee, Hemant; Hughes, David L.; Cammidge, Andrew N.
Antiaromatic twinned triphenylene discotics showing nematic phases and 2-dimensional π-overlap in the solid state
Chemical Communications, 2010, 46, 4255-4257
7111861 CIFC11 H10 F3 N OP 1 21/a 18.6562; 19.9373; 12.6769
90; 102.331; 90
2137.3Jian-Yi Luo; Hui-Liang Hua; Zi-Sheng Chen; Zhao-Zhao Zhou; Yan-Fang Yang; Ping-Xin Zhou; Yu-Tao He; Xue-Yuan Liu; Yong-Min Liang
Metal-free cascade radical cyclization of 1,6-enynes with aldehydes
Chem.Commun., 2014, 50, 1564
7111951 CIFC148 H98 N4 Si6P 1 21/a 117.4521; 19.5717; 20.2714
90; 101.544; 90
6784Sandeep More; Sunil Choudhary; Alexander Higelin; Ingo Krossing; Manuel Melle-Franco; Aurelio Mateo-Alonso
Twisted pyrene-fused azaacenes
Chem.Commun., 2014, 50, 1976
7112143 CIFC23 H21 N O2P 1 21/a 113.6924; 6.1056; 22.1509
90; 107.958; 90
1761.6Jiangang Mao; Shuo-Qing Zhang; Bing-Feng Shi; Weiliang Bao
Palladium(0)-catalyzed cyclopropanation of benzyl bromides via C(sp3)-H bond activation
Chem.Commun., 2014, 50, 3692
7112724 CIFC22 H23 N3 O5P 1 21/a 19.676; 14.4; 14.309
90; 91.333; 90
1993.2Rajesh, Stephen Michael; Perumal, Subbu; Menéndez, J. Carlos; Yogeeswari, Perumal; Sriram, Dharmarajan
Antimycobacterial activity of spirooxindolo-pyrrolidine, pyrrolizine and pyrrolothiazole hybrids obtained by a three-component regio- and stereoselective 1,3-dipolar cycloaddition
MedChemComm, 2011, 2, 626
7113049 CIFC19 H13 Br Fe O2P 1 21/a 17.5434; 14.7364; 13.8726
90; 99.146; 90
1522.5Monserrat, Jean-Philippe; Chabot, Guy G.; Hamon, Louis; Quentin, Lionel; Scherman, Daniel; Jaouen, Gérard; Hillard, Elizabeth A.
Synthesis of cytotoxic ferrocenyl flavones via a ferricenium-mediated 1,6-oxidative cyclization.
Chemical communications (Cambridge, England), 2010, 46, 5145-5147
7113063 CIFC9 H6 N O4 ZnP 1 21/a 113.3226; 11.3815; 13.9942
90; 105.746; 90
2042.3Fujii, Kotaro; Lazuen Garay, Ana; Hill, Janeen; Sbircea, Elena; Pan, Zhigang; Xu, Mingcan; Apperley, David C.; James, Stuart L.; Harris, Kenneth D. M.
Direct structure elucidation by powder X-ray diffraction of a metal-organic framework material prepared by solvent-free grinding.
Chemical communications (Cambridge, England), 2010, 46, 7572-7574
7113086 CIFC16 H10 Cl F3 N4 O2P 1 21/a 19.064; 14.5; 12.384
90; 99.57; 90
1605Shin, Dae-Seop; Masciocchi, Daniela; Gelain, Arianna; Villa, Stefania; Barlocco, Daniela; Meneghetti, Fiorella; Pedretti, Alessandro; Han, Young-Min; Han, Dong Cho; Kwon, Byoung-Mog; Legnani, Laura; Toma, Lucio
Synthesis, modeling, and crystallographic study of 3,4-disubstituted-1,2,5-oxadiazoles and evaluation of their ability to decrease STAT3 activity
MedChemComm, 2010, 1, 156
7113374 CIFC54 H44 Cl F10 N2 P2 Ru SbP 1 21/a 116.4727; 17.1842; 20.571
90; 112.879; 90
5364.9Cadierno, Victorio; Díez, Josefina; García-Alvarez, Joaquín; Gimeno, José
A new class of tethered-arene ruthenium(II) complexes with pendant P and C donor atoms: synthesis of eta6:eta1:eta1 phosphonio-azabutadienyl ruthenabicycles via allenylidene intermediates.
Chemical communications (Cambridge, England), 2004, 1820-1821
7113989 CIFH7 N2 O4 P ZnP 1 21/a 116.5227; 6.2178; 5.24317
90; 90.9998; 90
538.574Zakariae Amghouz; Beatriz Ramajo; Sergei A. Khainakov; Ivan da Silva; German R. Castro; Jose R. Garcia; Santiago Garcia-Granda
Dimensionality changes in the solid phase at room temperature: 2D > 1D > 3D evolution induced by ammonia sorption-desorption on zinc phosphates
Chem.Commun., 2014, 50, 6729
7114020 CIFC22 H52 Cl Cu3 N23 O6 Ru2P 1 21/a 19.502; 22.567; 11.189
90; 95.29; 90
2389.1Sun, Xian-Ru; Liang, Jiang-Lin; Che, Chi-Ming; Zhu, Nianyong; Zhang, X. X.; Gao, Song
1-D polymer containing the [Ru???N???Ru] ??-nitrido moiety: crystal structure and magnetic properties of {[Cu(en)2]3[Ru2N(CN)10]??ClO4}n (en = 1,2-diaminoethane)Electronic supplementary information (ESI) available: field dependence of magnetisation for cluster 1 and polymer 2. See http://www.rsc.org/suppdata/cc/b2/b205534c/
Chemical Communications, 2002, 2090
7114084 CIFC24 H26 N2 O2P 1 21/a 17.649; 13.7087; 9.7362
90; 106.118; 90
980.79Suzuki, Masato; Yatsugi, Yutaka
Novel solid-state polycondensation I. Oxidative-coupling polymerization of 2,6-dihydroxynaphthaleneElectric supplementary information (ESI) available: experimental procedures, 1H, 13C NMR and IR spectra of the acetylated polymer, crystal data of 2,6-DHN‒benzylamine complex, and 3D graphics of the polymer models and of the crystal cells (2,6-DHN and its benzylamine complex). See http://www.rsc.org/suppdata/cc/b1/b107738d/
Chemical Communications, 2002, 162
7114134 CIFC150 H36 N2 O6 S6 WP 1 21/a 118.402; 24.291; 21.414
90; 112.48; 90
8845Jin, Xianglin; Xie, Xiangjin; Tang, Kaluo
Syntheses and X-ray crystal structures of dumbbell-shaped bis-fullerene tungsten and molybdenum complexes
Chemical Communications, 2002, 750
7114135 CIFC151 H38 Mo N2 O7 S8P 1 21/a 118.598; 24.55; 21.429
90; 112.36; 90
9048Jin, Xianglin; Xie, Xiangjin; Tang, Kaluo
Syntheses and X-ray crystal structures of dumbbell-shaped bis-fullerene tungsten and molybdenum complexes
Chemical Communications, 2002, 750
7114225 CIFC40 H35 Ag2 Fe2 N6 O7.5P 1 21/a 111.62; 16.597; 20.762
90; 105.67; 90
3855Braga, Dario; Polito, Marco; Bracaccini, Marco; D'Addario, Daniela; Tagliavini, Emilio; Proserpio, Davide M.; Grepioni, Fabrizia
Novel hetero-bimetallic metalla-macrocycles based on the bis-1-pyridyl ferrocene [Fe(η5-C5H4-1-C5H4N)2] ligand. Design, synthesis and structural characterization of the complexes [Fe(η5-C5H4-1-C5H4N)2](Agi)22+/(Cuii)24+/(Znii)24+
Chemical Communications, 2002, 1080
7114247 CIFC32 H22 S4P 1 21/a 110.42; 24.167; 10.622
90; 106.52; 90
2564.4Nakanishi, Warô; Hayashi, Satoko; Arai, Takamitsu
Linear alignment of four sulfur atoms in bis[(8-phenylthio)naphthyl] disulfide: contribution of linear S4 hypervalent four-centre six-electron bond to the structure
Chemical Communications, 2002, 2416-2417
7114492 CIFC10 H12 O S Se TeP 1 21/a 17.373; 16.563; 10.046
90; 94.66; 90
1222.8Ogawa, Satoshi; Yoshimura, Satoko; Nagahora, Noriyoshi; Kawai, Yasushi; Mikata, Yuji; Sato, Ryu
Novel multi-chalcogen ring systems with three different chalcogen atoms: synthesis, structure and redox property of five-membered trichalcogenaheterocyclesElectronic supplementary information (ESI) available: satisfactory characterizing data for all the new compounds. Typical experimental procedure, physical and spectroscopic data of all the new compounds and ORTEP view of 2d. See http://www.rsc.org/suppdata/cc/b2/b205445k/
Chemical Communications, 2002, 1918
7114493 CIFC10 H12 O Se2 TeP 1 21/a 17.389; 16.581; 10.165
90; 93.14; 90
1243.5Ogawa, Satoshi; Yoshimura, Satoko; Nagahora, Noriyoshi; Kawai, Yasushi; Mikata, Yuji; Sato, Ryu
Novel multi-chalcogen ring systems with three different chalcogen atoms: synthesis, structure and redox property of five-membered trichalcogenaheterocyclesElectronic supplementary information (ESI) available: satisfactory characterizing data for all the new compounds. Typical experimental procedure, physical and spectroscopic data of all the new compounds and ORTEP view of 2d. See http://www.rsc.org/suppdata/cc/b2/b205445k/
Chemical Communications, 2002, 1918
7114687 CIFC20 H27 B8 PP 1 21/a 114.7338; 14.1571; 22.7377
90; 107.784; 90
4516.17Jelínek, Tomáš; Kilner, Colin A.; Thornton-Pett, Mark; Kennedy, John D.; Štíbr, Bohumil; Schanz, Hans-Jörg; Wrackmeyer, Bernd; Holub, Josef; Bakardjiev, Mario; Hnyk, Drahomír; Ormsby, Daniel L.
Monocarbaborane chemistry. Preparation and characterisation of [4-CB8H9]‒, the ‘missing’ closo-carbaborane anion
Chemical Communications, 2001, 1756
7114824 CIFC24 H24 Cl4 Fe S16P 1 21/a 112.452; 38.72; 7.731
90; 91.17; 90
3727Yamada, Jun-ichi; Toita, Takashi; Akutsu, Hiroki; Nakatsuji, Shin’ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi
The crystal structure and physical properties of β-(BDA-TTP)2FeCl4 [BDA-TTP = 2,5-bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene]
Chemical Communications, 2001, 2538
7115021 CIFC20 H17 N3 O2 SP 1 21/a 112.524; 11.088; 12.935
90; 99.75; 90
1770.3Butler, Richard N.; Smyth, Georgina M.; Cloonan (in part), Martin O.; McArdle, Patrick; Cunningham, Desmond
A new tricyclic ring and a nitrogen‒sulfur analogue of the tri-pentagon bowl. Substituted 5,6,7,7a-tetrahydropyrrolo[2,1-b]-1,3,4-thiadiazole-endo-6,7-dicarboxyimides
Chemical Communications, 2001, 1950
7115030 CIFC30 H24 N4P 1 21/a 17.888; 19.486; 14.567
90; 91.09; 90
2239Tani, Keita; Tohda, Yasuo; Takemura, Hiroyuki; Ohkita, Hideo; Ito, Shinzaburo; Yamamoto, Masahide
Synthesis and photophysical properties of [3.3](3,9)carbazolophanes
Chemical Communications, 2001, 1914
7115116 CIFC20 H28 Cr N2 OP 1 21/a 114.822; 7.7784; 17.655
90; 107.73; 90
1938.8Jandciu, Eric W.; Legzdins, Peter; McNeil, W. Stephen; Patrick, Brian O.; Smith, Kevin M.
Cr(NAr)(O)(NPri2)(Ar): a strongly-bent monoimido complex resulting from nitrosyl ligand cleavage
Chemical Communications, 2000, 1809

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