Crystallography Open Database

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1000358 CIFBa F4 O VF d d 27.92; 27.60799; 7.375
90; 90; 90
1612.6Crosnier-Lopez, M P; Duroy, H; Fourquet, J L
Crystal structure of a new acentric oxide fluoride of V^IV^: BaVOF~4~
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1993, 620, 309-312
1001169 CIFCd2 Cl6 H24 Ni O12F d d 224.4219; 22.3429; 7.5416
90; 90; 90
4115.1Leclaire, A; Borel, M M
Structure de l'Hexachlorure de Dicadmium et de Nickel Dodecahydrate
Acta Crystallographica B (24,1968-38,1982), 1980, 36, 3088-3090
1001520 CIFCd O10 P2 V2F d d 211.571; 15.88; 7.138
90; 90; 90
1311.6Leclaire, A; Chardon, J; Grandin, A; Borel, M M; Raveau, B
A novel form of Cd(VO)~2~(PO~4~)~2~ isotypic with Ca(VO)~2~(PO~4~)~2~
European Journal of Solid State Inorganic Chemistry, 1993, 30, 461-469
1008336 CIFCs Li O6 P2F d d 219.44; 19.027; 13.222
90; 90; 90
4890.6El-Horr, N; Bagieu, M
Structure d'un polyphosphate mixte de lithium et de cesium: LiCs(PO~3~)~2~
Acta Crystallographica C (39,1983-), 1987, 43, 603-605
1010520 CIFGe S2F d d 211.66; 22.34; 6.86
90; 90; 90
1786.9Zachariasen, W H
The Crystal Structure of Germanium Disulphide
Journal of Chemical Physics, 1936, 4, 618-619
1011255 CIFAl2 H4 Na2 O12 Si3F d d 218.29999; 18.59999; 6.57
90; 90; 90
2236.3Taylor, W H; Meek, C A; Jackson, W W
The structures of fibrous zeolites
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1933, 84, 373-398
1100642 CIFC33.5 H23 Cr I O0.5F d d 221.637; 26.975; 17.521
90; 90; 90
10226.3Elschenbroich, Christoph; Möckel, Reinhart; Vasil'kov, Alexander; Metz, Bernhard; Harms, Klaus
Chromium Sandwich Complexes of Polycyclic Aromatic Hydrocarbons: Triphenylene and Fluoranthene as η^6^ Ligands
European Journal of Inorganic Chemistry, 1998, 1998, 1391-1401
1100859 CIFC21 H24 Au Cl N2F d d 214.7275; 28.8178; 9.7016
90; 90; 90
4117.5de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.
Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes
Organometallics, 2005, 24, 2411-2418
1100977 CIFC8 H10 Br2 Cd N4 O0F d d 230.503; 4.8598; 16.322
90; 90; 90
2419.5Ruili Sang; Li Xu
A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties
Inorganic Chemistry, 2005, 44, 3731-3737
1101226 CIFC48 H33 N12 O1.5 ZnF d d 261.594; 15.968; 16.59
90; 90; 90
16317Qiong Ye; Yong-Hua Li; Yu-Mei Song; Xue-Feng Huang; Ren-Gen Xiong; Ziling Xue
A Second-Order Nonlinear Optical Material Prepared through In Situ Hydrothermal Ligand Synthesis
Inorganic Chemistry, 2005, 44, 3618-3625
1500012 CIFC8 H32 Co2 Cr2 N12 O15F d d 224.778; 30.457; 6.5364
90; 90; 90
4932.8Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós
Synthesis, spectroscopic characterisation and X-ray structure of [trans-Co(en)~2~(NO~2~)~2~]~2~(Cr~2~O~7~)
Journal of Chemical Crystallography, 2005, 35, 769-775
1502044 CIFC20 H26 O3 SF d d 225.707; 51.276; 5.6218
90; 90; 90
7410Wang, Haining; Huang, Deshun; Cheng, Donghao; Li, Lijun; Shi, Yian
Acid-catalyzed regioselective sulfetherification of alkenols and stereoselective rearrangement of tetrahydrofuran to tetrahydropyran.
Organic letters, 2011, 13, 1650-1653
1502046 CIFC20 H26 O3 SF d d 223.497; 52.752; 5.7732
90; 90; 90
7156Wang, Haining; Huang, Deshun; Cheng, Donghao; Li, Lijun; Shi, Yian
Acid-catalyzed regioselective sulfetherification of alkenols and stereoselective rearrangement of tetrahydrofuran to tetrahydropyran.
Organic letters, 2011, 13, 1650-1653
1502551 CIFC30 H29 N O6F d d 217.41; 62.6791; 9.6861
90; 90; 90
10569.9Sathishkannan, Gopal; Srinivasan, Kannupal
Highly diastereoselective synthesis of 1-pyrrolines via SnCl4-promoted [3 + 2] cycloaddition between activated donor-acceptor cyclopropanes and nitriles.
Organic letters, 2011, 13, 6002-6005
1502742 CIFC5 H4 Cl N OF d d 223.1021; 25.1758; 3.7363
90; 90; 90
2173.08Hathwar, Venkatesha R.; Guru Row, Tayur N.
Nature of Cl···Cl intermolecular interactions via experimental and theoretical charge density analysis: correlation of polar flattening effects with geometry.
The journal of physical chemistry. A, 2010, 114, 13434-13441
1503218 CIFC78 H110 Cl2 N O10F d d 255.9475; 44.3294; 12.4822
90; 90; 90
30957.3Han, Chengyou; Ma, Fengying; Zhang, Zibin; Xia, Binyuan; Yu, Yihua; Huang, Feihe
DIBPillar[n]arenes (n = 5, 6): syntheses, X-ray crystal structures, and complexation with n-octyltriethyl ammonium hexafluorophosphate.
Organic letters, 2010, 12, 4360-4363
1503929 CIFC16 H16 O7F d d 242.329; 5.8139; 11.242
90; 90; 90
2766.6Schneider, Tobias F.; Kaschel, Johannes; Dittrich, Birger; Werz, Daniel B.
anti-Oligoannelated THF moieties: synthesis via push-pull-substituted cyclopropanes.
Organic letters, 2009, 11, 2317-2320
1504077 CIFC30 H34 B2 O4F d d 236.848; 45.584; 6.2397
90; 90; 90
10481Kimoto, Takakazu; Tanaka, Kenro; Sakai, Yoshimasa; Ohno, Akira; Yoza, Kenji; Kobayashi, Kenji
2,8- and 2,9-Diboryltetracenes as useful building blocks for extended pi-conjugated tetracenes.
Organic letters, 2009, 11, 3658-3661
1504090 CIFC24 H20 O2F d d 219.0037; 35.6919; 10.5937
90; 90; 90
7185.5Valiulin, Roman A.; Kutateladze, Andrei G.
Harvesting the strain installed by a Paternò-Büchi step in a synthetically useful way: high-yielding photoprotolytic oxametathesis in polycyclic systems.
Organic letters, 2009, 11, 3886-3889
1504406 CIFC11 H8 N2F d d 212.839; 11.055; 12.213
90; 90; 90
1733.5Druzhinin, Sergey I.; Kovalenko, Sergey A.; Senyushkina, Tamara A.; Demeter, Attila; Machinek, Reinhard; Noltemeyer, Mathias; Zachariasse, Klaas A.
Intramolecular charge transfer with the planarized 4-cyanofluorazene and its flexible counterpart 4-cyano-N-phenylpyrrole. Picosecond fluorescence decays and femtosecond excited-state absorption.
The journal of physical chemistry. A, 2008, 112, 8238-8253
1504662 CIFC41 H26 F18 N2 P2 S2F d d 225.929; 34.278; 9.4606
90; 90; 90
8408.5Yumoto, Koji; Irie, Masahiro; Matsuda, Kenji
Control of the photoreactivity of diarylethene derivatives by quaternarization of the pyridylethynyl group.
Organic letters, 2008, 10, 2051-2054
1504663 CIFC41 H34 F18 N2 P2 S2F d d 226.0526; 33.9275; 9.413
90; 90; 90
8320.1Yumoto, Koji; Irie, Masahiro; Matsuda, Kenji
Control of the photoreactivity of diarylethene derivatives by quaternarization of the pyridylethynyl group.
Organic letters, 2008, 10, 2051-2054
1504988 CIFC14 H18 O2F d d 214.1767; 29.5845; 5.5128
90; 90; 90
2312.13Avetta, Jr, Christopher T; Konkol, Leah C.; Taylor, Carla N.; Dugan, Karen C.; Stern, Charlotte L.; Thomson, Regan J.
Diastereoselective oxidative carbon-carbon bond formation via silyl bis-enol ethers.
Organic letters, 2008, 10, 5621-5624
1505000 CIFC12 H13 N5 O2F d d 216.0664; 37.184; 9.0903
90; 90; 90
5430.7Loeppky, Richard N.; Shi, Jianzheng; Barnes, Charles L.; Geddam, Sailaja
A diazonium ion cascade from the nitrosation of tolazoline, an imidazoline-containing drug.
Chemical research in toxicology, 2008, 21, 295-307
1505379 CIFC21 H20 I N3 O10 SF d d 222.344; 29.436; 14.928
90; 90; 90
9818Douelle, Frederic; Capes, Amy S.; Greaney, Michael F.
Highly diastereoselective synthesis of vicinal quaternary and tertiary stereocenters using the iodo-aldol cyclization.
Organic letters, 2007, 9, 1931-1934
1505402 CIFC42 H52 B2 F8 I2 O8F d d 218.7743; 29.9639; 31.9847
90; 90; 90
17993Miyamoto, Kazunori; Hirobe, Masaya; Saito, Motomichi; Shiro, Motoo; Ochiai, Masahito
One-pot regioselective synthesis of chromanyl(phenyl)-lambda(3)-iodanes: tandem oxidative cyclization and lambda(3)-iodanation of 3-phenylpropanols.
Organic letters, 2007, 9, 1995-1998
1505810 CIFC31 H26 O2 P2F d d 232.3106; 12.0276; 12.5523
90; 90; 90
4878.1Vandyck, Koen; Matthys, Bavo; Willen, Mario; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Johan
Rhodium-Catalyzed Asymmetric Conjugate Additions of Boronic Acids to enones using DIPHONANE: a novel chiral bisphosphine ligand.
Organic letters, 2006, 8, 363-366
1506408 CIFC10 H14 N2 O2 SF d d 224.37; 31.908; 5.941
90; 90; 90
4620Zhang, Wei; Cozzolino, Anthony F.; Mahmoudkhani, Amir H.; Tulumello, Mark; Mansour, Sarah; Vargas-Baca, Ignacio
Influence of pi-stacking on the resonant enhancement of the second-order nonlinear optical response of dipolar chromophores.
The journal of physical chemistry. B, 2005, 109, 18378-18384
1506410 CIFAl2 D3.26 Na2 O12 Si3F d d 218.2933; 18.6282; 6.5839
90; 90; 90
2243.6Colligan, Marek; Lee, Yongjae; Vogt, Thomas; Celestian, Aaron J.; Parise, John B.; Marshall, William G.; Hriljac, Joseph A.
High-pressure neutron diffraction study of superhydrated natrolite.
The journal of physical chemistry. B, 2005, 109, 18223-18225
1506654 CIFC15 H17 N OF d d 221.927; 29.244; 8.089
90; 90; 90
5187Kang, Hu; Facchetti, Antonio; Stern, Charlotte L.; Rheingold, Arnold L.; Kassel, W. Scott; Marks, Tobin J.
Efficient synthesis and structural characteristics of zwitterionic twisted pi-electron system biaryls.
Organic letters, 2005, 7, 3721-3724
1506818 CIFC9 H7 N4 O1.5F d d 224.447; 40.453; 3.815
90; 90; 90
3772.9Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V.
Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials†
The Journal of Physical Chemistry B, 2004, 108, 8531
1506989 CIFC36 H40 SF d d 222.321; 23.158; 10.204
90; 90; 90
5275Yamazaki, Daisuke; Nishinaga, Tohru; Komatsu, Koichi
Radical cation of dibenzothiophene fully annelated with bicyclo[2.2.2]octene units: X-ray crystal structure and electronic properties.
Organic letters, 2004, 6, 4179-4182
1507934 CIFC87.63 H110 Cl1.2 I0.8 N4 P4 Si4 U2F d d 217.3132; 27.8758; 36.903
90; 90; 90
17810Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.
A delocalized arene-bridged diuranium single-molecule magnet.
Nature chemistry, 2011, 3, 454-460
1508377 CIFC6 H10 B F4 N5 O2 SF d d 224.375; 30.163; 13.653
90; 90; 90
10038Laus, Gerhard; Adamer, Verena; Hummel, Michael; Kahlenberg, Volker; Wurst, Klaus; Nerdinger, Sven; Schottenberger, Herwig
Crystal Structure of 2-Ethylimidazole-1-sulfonyl Azide: A New Azidation Reagent
Crystals, 2012, 2, 118-126
1509343 CIFAg Ga Ge S4F d d 212.028; 22.918; 6.874
90; 90; 90
1894.87Pobedimskaya, E.A.; Belov, N.V.; Alimova, L.L.; Badikov, V.V.
The crystal structure of the Ag-germanogallium sulfide and Ge S2
Doklady Akademii Nauk SSSR, 1981, 257, 611-614
1509692 CIFAg2 O3F d d 212.869; 10.49; 3.6638
90; 90; 90
494.598Standke, B.; Jansen, M.
Darstellung und Kristallstruktur von Ag2 O3
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1986, 535, 39-46
1511084 CIFB Cu IrF d d 29.963; 8.728; 6.483
90; 90; 90
563.743Jung, W.; Schmidt, B.; Kluenter, W.
LiIrB, CuIrB und PdIrB, ternaere Iridiumboride mit neuen, vom CaRh2B2-Typ abgeleiteten Strukturen
Journal of Alloys Compd., 1994, 205, 93-100
1511191 CIFB Ir PdF d d 210.131; 8.771; 6.621
90; 90; 90
588.335Kluenter, W.; Schmidt, B.; Jung, W.
LiIrB, CuIrB und PdIrB, ternaere Iridiumboride mit neuen, vom CaRh2B2-Typ abgeleiteten Strukturen
Journal of Alloys Compd., 1994, 205, 93-100
1512772 CIFC8 H17.5 K La N8 O8.75 Pt2F d d 219.5826; 26.8725; 34.9729
90; 90; 90
18403.9Nicholas J. Robinson; Philip A. Smith; Sabrina Grant; Kendra Whitehead; Carlos Crawford; Zerihun Assefa; Richard E. Sykora
Novel tetracyanoplatinates with the larger Ln3+ ions: Synthesis, structures, and photoluminescence properties of KLn[Pt(CN)4]2.8.75H2O (Ln = La, Pr, Nd)
Inorganica Chimica Acta, 2013, 394, 459-465
1512773 CIFC8 H17.5 K N8 Nd O8.75 Pt2F d d 219.4281; 26.8587; 34.727
90; 90; 90
18121Nicholas J. Robinson; Philip A. Smith; Sabrina Grant; Kendra Whitehead; Carlos Crawford; Zerihun Assefa; Richard E. Sykora
Novel tetracyanoplatinates with the larger Ln3+ ions: Synthesis, structures, and photoluminescence properties of KLn[Pt(CN)4]2.8.75H2O (Ln = La, Pr, Nd)
Inorganica Chimica Acta, 2013, 394, 459-465
1512774 CIFC8 H17.5 K N8 O8.75 Pr Pt2F d d 219.4498; 26.8572; 34.812
90; 90; 90
18184.6Nicholas J. Robinson; Philip A. Smith; Sabrina Grant; Kendra Whitehead; Carlos Crawford; Zerihun Assefa; Richard E. Sykora
Novel tetracyanoplatinates with the larger Ln3+ ions: Synthesis, structures, and photoluminescence properties of KLn[Pt(CN)4]2.8.75H2O (Ln = La, Pr, Nd)
Inorganica Chimica Acta, 2013, 394, 459-465
1513131 CIFC19 H32 B2 O4F d d 234.026; 18.078; 6.8131
90; 90; 90
4190.9Chen, 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
1513162 CIFC9 H18 O2F d d 215.3408; 44.262; 5.177
90; 90; 90
3515.3Tong, Benny Meng Kiat; Chen, Hui; Chong, Sin Yee; Heng, Yi Li; Chiba, Shunsuke
Formal [4 + 1]- and [5 + 1]-Annulation by an SN2‒Conjugate Addition Sequence: Stereoselective Synthesis of Highly Substituted Carbocyles
Organic Letters, 2013, 15, 6111
1514542 CIFC27 H44 N4 NiF d d 217.8294; 42.047; 17.6823
90; 90; 90
13256Harrold, Nicole D.; Hillhouse, Gregory L.
Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand
Chemical Science, 2013, 4, 4011
1515118 CIFC12 H10 B NF d d 223.388; 31.934; 5.423
90; 90; 90
4050Marwitz, Adam J. V.; Lamm, Ashley N.; Zakharov, Lev N.; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan
BN-substituted diphenylacetylene: a basic model for conjugated π-systems containing the BN bond pair
Chemical Science, 2012, 3, 825
1516812 CIFC18 H16 N2 O3F d d 227.454; 32.678; 6.833
90; 90; 90
6130Gould, 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
1517297 CIFC50 H54 N8 O11 Zn2F d d 222.694; 29.694; 33.408
90; 90; 90
22513He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming
Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks
Chem. Sci., 2014, 5, 4755
1517447 CIFC46 H32 F12 N6 O2 P2 RuF d d 243.6636; 43.3688; 9.2311
90; 90; 90
17480.4Frei, Angelo; Rubbiani, Riccardo; Tubafard, Solmaz; Blacque, Olivier; Anstaett, Philipp; Felgenträger, Ariane; Maisch, Tim; Spiccia, Leone; Gasser, Gilles
Synthesis, Characterization, and Biological Evaluation of New Ru(II) Polypyridyl Photosensitizers for Photodynamic Therapy.
Journal of medicinal chemistry, 2014, 57, 7280-7292
1517455 CIFC21 H23 N O5 SF d d 212.135; 55.75; 11.738
90; 90; 90
7941Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki
A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.
Organic letters, 2014, 16, 4634
1517620 CIFC18 H20 N8 O6 ZnF d d 212.7151; 29.843; 11.5626
90; 90; 90
4387.5Mohd. R. Razali; Aron Urbatsch; Glen B. Deacon; Stuart R. Batten
Coordination polymers of transition metals derived from the in situ nucleophilic addition of alcohols to dicyanonitrosomethanide [C(CN)2(NO)]-
Inorganica Chimica Acta, 2013, 403, 120-126

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