Crystallography Open Database

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1000103 CIFAl2 Ca F9 KC 2 2 2112.343; 7.152; 22.679
90; 90; 90		2002Hemon, A; Le Bail, A; Courbion, G
Crystal structure approach of KCaAl~2~F~9~. A new hexagonaltungsten- bronze related structure
European Journal of Solid State Inorganic Chemistry, 1993, 30, 415-426
1001010 CIFNb3.09 O8.22 TlC 2 2 217.551; 13.005; 7.734
90; 90; 90		759.5Gasperin, M
Un niobate de thallium de type 'bronze hexagonal' excedentaire en cations
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2306-2308
1001610 CIFMo4 O22 P4 Rb3C 2 2 2114.222; 14.223; 19.22699
90; 90; 90		3889.2Borel, M M; Leclaire, A; Guesdon, A; Grandin, A; Raveau, B
Mixed valent molybdenum monophosphates with an intersecting tunnel structure: A~3~O~2~(MoO)~4~(PO~4~)~4~ (A=Rb, Tl)
Journal of Solid State Chemistry, 1994, 112, 15-21
1008237 CIFF3 K0.3 NbC 2 2 217.54; 13.06; 7.75
90; 90; 90		763.2Masse, R; Aleonard, S; Averbuch-Pouchot, M T
Chemical Preparation and X-ray Structure Determination of K~0.3~ Nb F
Journal of Solid State Chemistry, 1984, 53, 136-139
1008303 CIFMn2 N0.86C 2 2 214.8552; 8.4088; 4.5327
90; 90; 90		185.1Eddine, M N; Bertaut, E F
Structure cristallographique et magnetique de Mn~2~ N~0.86~ a basse Temperature
Solid State Communications, 1977, 23, 147-150
1008376 CIFBa S3 VC 2 2 216.7572; 11.4866; 5.5994
90; 90; 90		434.6Ghedira, M; Anne, M; Chenavas, J; Marezio, M; Sayetat, F
Powder neutron diffraction studies of the low-temperature phase transitions in stoichiometric Ba V S~3~
Journal of Physics C, 1986, 19, 6489-6503
1010159 CIFAl F5 Tl2C 2 2 2110.06; 8.24; 7.46
90; 90; 90		618.4Brosset, C
Herstellung und Kristallbau der Verbindungen Tl Al F~4~ und Tl~2~ Al F~5~
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1937, 235, 139-147
1011063 CIFH2 OC 2 2 217.8; 4.5; 5.56
90; 90; 90		195.2McFarlan, Ronald L.
The Structure of Ice II
The Journal of Chemical Physics, 1936, 4, 60-64
1100169 CIFC20 H20 N16 O8 Pd2C 2 2 2112.864; 14.634; 30.703
90; 90; 90		5779.7Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas
Polyhedron, 2004, 23, 2373-2379
1100389 CIFC32 H30 Cl N2 O4 PC 2 2 217.967; 24.71; 14.722
90; 90; 90		2898.24Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt; Magull, Jörg
μ~2~-Chlorokomplexe von Succinimid und N-Chlorsuccinimid. Die Kristallstrukturen von PPh~4~[Cl(Succinimid)~2~], PPh~4~[[Cl(N-Cl-Succinimid)~2~] und N-Chlorphthalimid / μ~2~-Chloro Complexes of Succinimide and N-Chlorosuccinimide. The Crystal Structures of PPh~4~[Cl(Succinimide)~2~], PPh~4~[Cl(N-Cl-Succinimide)~2~] and N-Chlorophthalimide}
Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences, 1994, 49, 506-512
1501989 CIFC24 H30 N2 O5C 2 2 215.6207; 21.3127; 37.844
90; 90; 90		4533.4Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou; Lee, Gene-Hsiang
Dynamic kinetic asymmetric synthesis of five contiguous stereogenic centers by sequential organocatalytic stetter and Michael-aldol reaction: enantioselective synthesis of fully substituted cyclopentanols bearing a quaternary stereocenter.
Organic letters, 2011, 13, 1338-1341
1502211 CIFC59.95 H91.375 Cl1.575 O8.475C 2 2 2118.3457; 24.3333; 24.9713
90; 90; 90		11147.5Bai, Xinyan; Barnes, Charles; Pascal, Jr, Robert A; Chen, Xueyi; Dias, Jerry Ray
Bile acid-based cage compounds with lipophilic outer shells and inner cavities.
Organic letters, 2011, 13, 3064-3067
1503325 CIFC20 H18 Cl2 PdC 2 2 217.61; 16.8437; 13.2376
90; 90; 90		1696.8Zhang, Shu-Sheng; Wang, Zhi-Qian; Xu, Ming-Hua; Lin, Guo-Qiang
Chiral diene as the ligand for the synthesis of axially chiral compounds via palladium-catalyzed Suzuki-Miyaura coupling reaction.
Organic letters, 2010, 12, 5546-5549
1503928 CIFC12 H12 O5C 2 2 216.1208; 9.984; 17.437
90; 90; 90		1065.6Schneider, 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
1504482 CIFC32 H29 N3 O2C 2 2 2111.6384; 18.8748; 23.44
90; 90; 90		5149.1Gerstenberger, Brian S.; Lin, Jinzhen; Mimieux, Yvette S.; Brown, Lauren E.; Oliver, Allen G.; Konopelski, Joseph P.
Structural characterization of an enantiomerically pure amino acid imidazolide and direct formation of the beta-lactam nucleus from an alpha-amino acid.
Organic letters, 2008, 10, 369-372
1505226 CIFC24 H39 N O8C 2 2 2113.491; 15.501; 21.975
90; 90; 90		4595.5Gao, Feng; Chen, Qiao-Hong; Wang, Feng-Peng
C19-diterpenoid alkaloids from Aconitum hemsleyanum var. circinatum.
Journal of natural products, 2007, 70, 876-879
1505697 CIFF1.28 O48 Si24C 2 2 2112.905; 21.344; 5.1279
90; 90; 90		1412.5Burton, Allen; Darton, Richard J.; Davis, Mark E.; Hwang, Song-Jong; Morris, Russell E.; Ogino, Isao; Zones, Stacey I.
Structure-directing agent location and non-centrosymmetric structure of fluoride-containing zeolite SSZ-55.
The journal of physical chemistry. B, 2006, 110, 5273-5278
1506489 CIFC15 H20 O3C 2 2 217.338; 15.567; 23.86
90; 90; 90		2726Jeffery, David W.; Perkins, Michael V.; White, Jonathan M.
Synthesis of an analogue of the marine polypropionate tridachiahydropyrone.
Organic letters, 2005, 7, 407-409
1507038 CIFC10 H4 S4C 2 2 214.776; 13.918; 14.7
90; 90; 90		977.1Nenajdenko, Valentine G.; Sumerin, Viktor V.; Chernichenko, Konstantin Yu; Balenkova, Elizabeth S.
A new route to annulated oligothiophenes.
Organic letters, 2004, 6, 3437-3439
1507066 CIFC46.5 H69 Cl3 N6 O14.5 Zn3C 2 2 2115.5481; 26.735; 27.74
90; 90; 90		11531Gao, Jian; Zingaro, Ralph A.; Reibenspies, Joseph H.; Martell, Arthur E.
Direct observation of enantioselective synergism at trimetallic centers.
Organic letters, 2004, 6, 2453-2455
1507468 CIFC64 H89 Cl6 N5 O8C 2 2 2112.621; 22.358; 23.335
90; 90; 90		6585Falábu, Dezsö; Shivanyuk, Alexander; Nissinen, Maija; Rissanen, Kari
Complexation of Small Molecules by Open-Ended Resorcarene Hosts
Organic Letters, 2002, 4, 3019
1507713 CIFC23 H21.5 Br0.5 F2 N3 OC 2 2 2112.772; 18.1424; 17.4735
90; 90; 90		4048.9Schönherr, Heike; Leighton, James L.
Direct and highly enantioselective iso-Pictet-Spengler reactions with α-ketoamides: access to underexplored indole core structures.
Organic letters, 2012, 14, 2610-2613
1508093 CIFC73.5 H87 Cl15 N12C 2 2 2116.861; 32.059; 29.48
90; 90; 90		15935Hasell, Tom; Wu, Xiaofeng; Jones, James T. A.; Bacsa, John; Steiner, Alexander; Mitra, Tamoghna; Trewin, Abbie; Adams, Dave J.; Cooper, Andrew I.
Triply interlocked covalent organic cages.
Nature chemistry, 2010, 2, 750-755
1508103 CIFC100 H108 Cl F24 N4 O20 P4 S8C 2 2 2113.4168; 37.385; 27.8719
90; 90; 90		13980.2Spruell, Jason M.; Coskun, Ali; Friedman, Douglas C.; Forgan, Ross S.; Sarjeant, Amy A.; Trabolsi, Ali; Fahrenbach, Albert C.; Barin, Gokhan; Paxton, Walter F.; Dey, Sanjeev K.; Olson, Mark A.; Benítez, Diego; Tkatchouk, Ekaterina; Colvin, Michael T.; Carmielli, Raanan; Caldwell, Stuart T.; Rosair, Georgina M.; Hewage, Shanika Gunatilaka; Duclairoir, Florence; Seymour, Jennifer L.; Slawin, Alexandra M. Z.; Goddard, 3rd, William A; Wasielewski, Michael R.; Cooke, Graeme; Stoddart, J. Fraser
Highly stable tetrathiafulvalene radical dimers in [3]catenanes.
Nature chemistry, 2010, 2, 870-879
1508728 CIFC11 H9 N3C 2 2 2110.7653; 11.5943; 29.2492
90; 90; 90		3650.8Wu, Wen-Bin; Huang, Jing-Mei
Highly Regioselective C-N Bond Formation through C-H Azolation of Indoles Promoted by Iodine in Aqueous Media.
Organic letters, 2012, 14, 5832-5835
1512214 CIFC103 H144 Cl28 N24 O12C 2 2 2116.62503; 17.42571; 94.3127
90; 90; 90		27322.7Aav, Riina; Shmatova, Elena; Reile, Indrek; Borissova, Maria; Topić, Filip; Rissanen, Kari
New Chiral Cyclohexylhemicucurbit[6]uril
Organic Letters, 2013, 15, 3786
1513052 CIFC12 H16 N O3C 2 2 215.6469; 14.472; 28.247
90; 90; 90		2308.4Ivanova, Bojidarka; Spiteller, Michael
Salts of aromatic amines: Crystal structures, spectroscopic and non-linear optical properties
Spectrochimica Acta Part A, 2010, 77, 849
1513168 CIFC10 H16 N2 O7C 2 2 218.0606; 14.6983; 23.782
90; 90; 90		2817.6Ivanova, Bojidarka; Spiteller, Michael
Noncentrosymmetric Crystals with Marked Nonlinear Optical Properties
Journal of Physical Chemistry A, 2010, 114, 5099-5103
1513533 CIFC68 H92 N4 O25 S4C 2 2 2112.9248; 15.416; 39.31
90; 90; 90		7832.5Brawn, Ryan A.; Zhu, Kaicheng; Panek, James S.
Rhodium(II)-catalyzed alkyne amination of homopropargylic sulfamate esters: stereoselective synthesis of functionalized norcaradienes by arene cyclopropanation.
Organic letters, 2014, 16, 74-77
1514483 CIFC57 H74 Cl4 Cu2 N4 S2C 2 2 2114.073; 21.02; 19.083
90; 90; 90		5645Zhang, Shiyu; Warren, Timothy H.
Three coordinate models for the binuclear CuA electron-transfer site
Chemical Science, 2013, 4, 1786
1515169 CIFC108 H168 N12C 2 2 2118.9708; 25.2751; 26.5778
90; 90; 90		12743.8Giri, Nicola; Davidson, Christine E.; Melaugh, Gavin; Del Pópolo, Mario G.; Jones, James T. A.; Hasell, Tom; Cooper, Andrew I.; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L.
Alkylated organic cages: from porous crystals to neat liquids
Chemical Science, 2012, 3, 2153
1515277 CIFC24 H70 N6 O30 S2C 2 2 216.7453; 25.6806; 25.6822
90; 90; 90		4448.76Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît
Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants
Chemical Science, 2012, 3, 249
1515758 CIFC18 H16 Cl F O2C 2 2 219.877; 12.0636; 27.244
90; 90; 90		3246.2Li, Yi; Xu, Ming-Hua
Rhodium-catalyzed asymmetric tandem cyclization for efficient and rapid access to underexplored heterocyclic tertiary allylic alcohols containing a tetrasubstituted olefin.
Organic letters, 2014, 16, 2712-2715
1517033 CIFC19.5 H12 Co1.5 N4.5C 2 2 218.4667; 16.5199; 24.2164
90; 90; 90		3387.1Bin Yuan; Min Min Yue; Ying Wang; Ju Yan Liu; Bin Ding; Xiao Jun Zhao
Cyano-bridged assemblies induced by positive ions: Hydrothermal syntheses, crystal and powder X-ray structures, and magnetic properties
Inorganica Chimica Acta, 2013, 402, 1-5
1517140 CIFC48 H52 N2 O4 TiC 2 2 2118.434; 18.468; 24.873
90; 90; 90		8468Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi
Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands
Inorganica Chimica Acta, 2013, 402, 140-155
1517983 CIFC57 H49.5 Eu N6 O11.5C 2 2 2126.0015; 26.4029; 30.8305
90; 90; 90		21165.6Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur
The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures
Chem. Sci., 2015, 6, 457
1520274 CIFC17 H21 N O4C 2 2 217.4019; 15.8155; 26.8034
90; 90; 90		3137.73Coles, Simon J.; Hursthouse, Michael B.; Motherwell, W.
C17H21NO4
Crystal Structure Report Archive, 2008, 416
1525169 CIFO7 Ta Y3C 2 2 2110.4762; 7.4237; 7.4522
90; 90; 90		579.574Rossell, H.J.
Fluorite-related phases Ln3 M O7, Ln= rare earth, Y or Sc, M= Nb, Sb or Ta
Journal of Solid State Chemistry, 1979, 27, 115-122
1525170 CIFGd O7 Sb Y2C 2 2 2110.5172; 7.4527; 7.4806
90; 90; 90		586.341Rossell, H.J.
Fluorite-related phases Ln3 M O7, Ln= rare earth, Y or Sc, M= Nb, Sb or Ta
Journal of Solid State Chemistry, 1979, 27, 115-122
1526254 CIFCd O4 Rb2 SiC 2 2 2111.426; 11.023; 16.725
90; 90; 90		2106.49Hansing, J.; Moeller, A.
Rb2 Cd Si O4 : synthesis and crystal structure
Journal of Solid State Chemistry, 2001, 162, 214-219
1530304 CIFCa H Na O4 SiC 2 2 215.71; 9.18; 7.03
90; 90; 90		368.497Ljutin, V.I.; Kazak, V.F.; Ilyukhin, V.V.; Belov, H.V.
Crystal structure of Na Ca H Si O4
Doklady Akademii Nauk SSSR, 1972, 205, 582-584
1530369 CIFLa O9 P3C 2 2 2111.303; 8.648; 7.397
90; 90; 90		723.045Matuszewski, J.; Kropiwnicka, J.; Znamierowska, T.
The Crystal Structure of Lanthanum Metaphosphate La P3 O9
Journal of Solid State Chemistry, 1988, 75, 285-290
1530729 CIFO9 Ta2 Th2C 2 2 2111.5915; 15.4967; 7.4029
90; 90; 90		1329.78Schmidt, G.; Gruehn, R.
Darstellung und Struktur von Th2 Ta2 O9
Journal of the Less-Common Metals, 1989, 156, 75-86
1530858 CIFH28 Mg Mo7 O54 U6C 2 2 2111.313; 20.163; 23.877
90; 90; 90		5446.44Tabachenko, V.V.; Kovba, L.M.; Serezhkin, V.N.
Crystal structures of Mg (U O2)6 (Mo O4)7 (H2 O)18 and Sr (U O2)6 (Mo O4)7 (H2 O)15
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1984, 10, 558-562
1530859 CIFH38 Mo7 O59 Sr U6C 2 2 2111.166; 20.281; 24.061
90; 90; 90		5448.8Tabachenko, V.V.; Kovba, L.M.; Serezhkin, V.N.
Crystal structures of Mg (U O2)6 (Mo O4)7 (H2 O)18 and Sr (U O2)6 (Mo O4)7 (H2 O)15
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1984, 10, 558-562
1532548 CIFAl O4 PC 2 2 217.0843; 7.0823; 6.9989
90; 90; 90		351.157Achary, S.N.; Jayakumar, O.D.; Tyagi, A.K.; Kulshreshtha, S.K.
Preparation, phase transition and thermal expansion studies on low-cristobalite type Al1-x Gax P O4 (x = 0.0, 0.20, 0.50, 0.80 and 1.00)
Journal of Solid State Chemistry, 2003, 176, 37-46
1532551 CIFAl0.8 Ga0.2 O4 PC 2 2 217.0529; 7.0558; 6.9551
90; 90; 90		346.113Achary, S.N.; Tyagi, A.K.; Jayakumar, O.D.; Kulshreshtha, S.K.
Preparation, phase transition and thermal expansion studies on low-cristobalite type Al1-x Gax P O4 (x = 0.0, 0.20, 0.50, 0.80 and1.00)
Journal of Solid State Chemistry, 2003, 176, 37-46
1532554 CIFAl0.5 Ga0.5 O4 PC 2 2 217.0295; 7.0173; 6.9217
90; 90; 90		341.434Achary, S.N.; Jayakumar, O.D.; Tyagi, A.K.; Kulshreshtha, S.K.
Preparation, phase transition and thermal expansion studies on low-cristobalite type Al1-x Gax P O4 (x = 0.0, 0.20, 0.50, 0.80 and1.00)
Journal of Solid State Chemistry, 2003, 176, 37-46
1532557 CIFAl0.2 Ga0.8 O4 PC 2 2 216.9968; 6.9794; 6.8884
90; 90; 90		336.384Achary, S.N.; Kulshreshtha, S.K.; Tyagi, A.K.; Jayakumar, O.D.
Preparation, phase transition and thermal expansion studies on low-cristobalite type Al1-x Gax P O4 (x = 0.0, 0.20, 0.50, 0.80 and1.00)
Journal of Solid State Chemistry, 2003, 176, 37-46
1532560 CIFGa O4 PC 2 2 216.9876; 6.9624; 6.8774
90; 90; 90		334.589Achary, S.N.; Jayakumar, O.D.; Tyagi, A.K.; Kulshreshtha, S.K.
Preparation, phase transition and thermal expansion studies on low-cristobalite type Al1-x Gax P O4 (x = 0.0, 0.20, 0.50, 0.80 and1.00)
Journal of Solid State Chemistry, 2003, 176, 37-46

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