Crystallography Open Database

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1502501 CIFC19 H27.25 N2 O9.63I 424.47; 24.47; 7.359
90; 90; 90
4406.4Fu, Peng; Liu, Peipei; Li, Xia; Wang, Yi; Wang, Shuxia; Hong, Kui; Zhu, Weiming
Cyclic bipyridine glycosides from the marine-derived actinomycete Actinoalloteichus cyanogriseus WH1-2216-6.
Organic letters, 2011, 13, 5948-5951
1505132 CIFC21 H14 Br2 F9 O4.5I 429.61; 29.61; 5.579
90; 90; 90
4891Sakakibara, Ken; Nakano, Koji; Nozaki, Kyoko
Regioregular Polymerization of Fluorine-Containing Epoxides
Macromolecules, 2007, 40, 6136
1506455 CIFC20 H22 O6I 419.327; 19.327; 9.814
90; 90; 90
3666Saouf, Abderrahmane; Guerra, Francisco M.; Rubal, Juan J.; Moreno-Dorado, F Javier; Akssira, Mohamed; Mellouki, Fouad; López, Matías; Pujadas, Antonio J.; Jorge, Zacarías D; Massanet, Guillermo M.
Transtaganolides A-D: novel metabolites from Thapsia transtagana.
Organic letters, 2005, 7, 881-884
1516011 CIFC20 H32 O4I 420.0401; 20.0401; 9.4689
90; 90; 90
3802.8Wu, Xing-De; He, Juan; Li, Xing-Yao; Dong, Liao-Bin; Gong, Xun; Song, Liu-Dong; Li, Yan; Peng, Li-Yan; Zhao, Qin-Shi
Diterpenoids from the twigs and leaves of Fokienia hodginsii.
Journal of natural products, 2013, 76, 1032-1038
1517273 CIFC82.5 H63 Br3 Cl3 N9 Rh2I 414.7855; 14.7855; 17.6398
90; 90; 90
3856.3Chartrand, Daniel; Hanan, Garry S.
Optoelectronic properties and structural effects of the incremental addition of pyridyl moieties on a rhodium dimer.
The journal of physical chemistry. A, 2014, 118, 10340-10352
1521370 CIFC27 H31 B F4 O6I 413.126; 13.126; 15.1338
90; 90; 90
2607.43Lamsa, Markku; Pursiainen, Jouni; Rissanen, Kari; Huuskonen, Juhani
Complexation of Crown Ethers and Podands with Tropylium Cations: Determination of Stability Constants and Crystal Structure of the Dibenzo-24-Crown-8-Tropylium Cation Complex
Acta Chemica Scandinavica, 1998, 52, 563-570
1521857 CIFAl1.7 Si3.3 U3I 47.6292; 7.6292; 10.8502
90; 90; 90
631.533Rogl, P.; Andre, G.; Noel, H.; Bouree, F.
Magnetic structures of U3 M2 (M')3, M= Al, Ga; M'= Si, Ge: a neutron powder diffraction study
Journal of Magnetism and Magnetic Materials, 1999, 191, 291-300
1521858 CIFGa1.92 Si3.08 U3I 47.6426; 7.6426; 10.8379
90; 90; 90
633.035Rogl, P.; Noel, H.; Andre, G.; Bouree, F.
Magnetic structures of U3 M2 (M')3, M= Al, Ga; M' = Si, Ge: a neutron powder diffraction study
Journal of Magnetism and Magnetic Materials, 1999, 191, 291-300
1521859 CIFAl2.06 Ge2.94 U3I 47.749; 7.749; 11.0365
90; 90; 90
662.709Rogl, P.; Andre, G.; Bouree, F.; Noel, H.
Magnetic structures of U3 M2 (M')3, M= Al, Ga; M' = Si, Ge: a neutron powder diffraction study
Journal of Magnetism and Magnetic Materials, 1999, 191, 291-300
1525610 CIFBa1.114 Mo8 O16I 410.216; 10.216; 20.2449
90; 90; 90
2112.89Barrier, N.; Gougeon, P.; Retoux, R.
Synthesis, crystal structure and TEM study of the new hollandite - type Ba8/7 Mo8 O16
Journal of Alloys Compd., 2001, 317, 120-126
1528369 CIFBr Cl3 O WI 48.52; 8.52; 3.98
90; 90; 90
288.91Boorman, P.M.; Greenwood, N.N.; Whitfield, H.J.
Mixed Bromide-Chloride of Tungsten(VI)
Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971), 1968, 1968, 2256-2258
1529521 CIFF10 O9 Pb5 W3I 414.583; 14.583; 7.365
90; 90; 90
1566.27Abrahams, S.C.; Marsh, P.; Ravez, J.
Ferroelectric structure and related properties of Pb5 W3 O9 F10
Journal of Chemical Physics, 1987, 87, 6012-6020
1530004 CIFCa2 Cl2 O3 SiI 410.698; 10.698; 9.345
90; 90; 90
1069.51Golovastikov, N.I.; Kazak, V.F.
The crystal structure of calcium chlorosilicate Ca2 Si O3 Cl2
Kristallografiya, 1977, 22, 962-965
1535408 CIFBa1.12 O16 Ti8I 410.071; 10.071; 2.962
90; 90; 90
300.421Bolotina, N.B.; Dmitrieva, M.T.; Rastsvetaeva, R.K.
Modulated structure of a new natural member of hollandite family.
Kristallografiya, 1992, 37, 598-605
1535409 CIFBa1.15 O16 Ti8I 410.071; 10.071; 14.81
90; 90; 90
1502.1Bolotina, N.B.; Dmitrieva, M.T.; Rastsvetaeva, R.K.
Modulated structure of a new natural member of hollandite family.
Kristallografiya, 1992, 37, 598-605
1537407 CIFCl4 O WI 48.48; 8.48; 3.995
90; 90; 90
287.282Hess, H.; Hartung, H.
Die Kristallstruktur von Wolframoxidchlorid W O Cl4 und Wolframoxidbromid W O Br4
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1966, 344, 157-166
1544464 CIFC31 H38 N2 O5I 427.2685; 27.2685; 7.6863
90; 90; 90
5715.3Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L.
Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity.
Chemical science, 2017, 8, 1560-1569
1548561 CIFC23 H29 N O3I 425.728; 25.728; 6.5313
90; 90; 90
4323.3Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li
Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families
Nature Communications, 2015, 6, 6096
1548975 CIFC26 H15 N6 O11 Zn2I 427.458; 27.458; 18.225
90; 90; 90
13741Zhao, He; Ni, Jun; Zhang, Jian-Jun; Liu, Shu-Qin; Sun, Ying-Ji; Zhou, Huajun; Li, Yan-Qin; Duan, Chun-Ying
A trichromatic MOF composite for multidimensional ratiometric luminescent sensing.
Chemical science, 2018, 9, 2918-2926
1549029 CIFC86 H162 Co Cr7 F8 N O33I 419.9066; 19.9066; 16.1991
90; 90; 90
6419.3Garlatti, Elena; Guidi, Tatiana; Chiesa, Alessandro; Ansbro, Simon; Baker, Michael L.; Ollivier, Jacques; Mutka, Hannu; Timco, Grigore A.; Vitorica-Yrezabal, Inigo; Pavarini, Eva; Santini, Paolo; Amoretti, Giuseppe; Winpenny, Richard E. P.; Carretta, Stefano
Anisotropy of Co<sup>II</sup> transferred to the Cr<sub>7</sub>Co polymetallic cluster <i>via</i> strong exchange interactions.
Chemical science, 2018, 9, 3555-3562
1553345 CIFC27 H36 O8I 427.2552; 27.2552; 7.0051
90; 90; 90
5203.71Qi, Changxing; Liu, Mengting; Zhou, Qun; Gao, Weixi; Chen, Chunmei; Lai, Yongji; Hu, Zhengxi; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Li, Xiao-Nian; Zhang, Qing; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui
BACE1 Inhibitory Meroterpenoids from Aspergillus terreus.
Journal of natural products, 2018, 81, 1937-1945
2002233 CIFBi2 Cu O4I 48.484; 8.484; 5.813
90; 90; 90
418.4Arpe, R; Mueller-Buschbaum, Hk
Isolierte quadratisch planare (Cu O4)6- -Polyeder in Cu Bi2 O4, ein neuer Bautyp zur Formel (Me3+)2 M2+ O4
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1976, 426, 1-6
2009277 CIF
Paper
C15 H18 Fe O3I 420.521; 20.521; 6.1384
90; 90; 90
2585Jerome Chiffre; Eric Manoury; Jean-Claude Daran; Gilbert G. A. Balavoine
[(2<i>S</i>,4<i>S</i>)-4-Hydroxymethyl-1,3-dioxan-2-yl]ferrocene
Acta Crystallographica Section C, 1999, 55, 2045-2047
2012217 CIF
HKL
Paper
C20 H24 Cl2 N8 RuI 411.295; 11.295; 9.2
90; 90; 90
1173.71Bellucci, Cinzia; Cini, Renzo
<i>trans</i>-Dichlorotetrakis(4-methylpyrimidine-<i>N</i>^1^)ruthenium(II)
Acta Crystallographica Section C, 2001, 57, 1039-1040
2012874 CIF
HKL
Paper
C7 H14 N2 O3I 417.929; 17.929; 5.2196
90; 90; 90
1677.8Görbitz, Carl Henrik
<i>N</i>-(<small>L</small>-2-Aminobutyryl)-<small>L</small>-alanine and 2-(<small>L</small>-alanylamino)-<small>L</small>-butyric acid 0.33-hydrate
Acta Crystallographica Section C, 2002, 58, o533-o536
2015186 CIF
HKL
Paper
C40 H40 Cl2 Co N16I 415.649; 15.649; 8.653
90; 90; 90
2119Graham M. Davies; Harry Adams; Michael D. Ward
Dichlorotetrakis[3-(4-pyridyl)-1<i>H</i>-pyrazole]cobalt(II) acetonitrile tetrasolvate: an infinite hydrogen-bonded network, in an instant
Acta Crystallographica Section C, 2005, 61, m485-m487
2017518 CIF
HKL
Paper
C13.375 H25.5 O11.375I 420.1789; 20.1789; 8.4712
90; 90; 90
3449.37Hu, Xiaosong; Pan, Qingfeng; Noll, Bruce C.; Oliver, Allen G.; Serianni, Anthony S.
Methyl 4-<i>O</i>-β-<small>D</small>-galactopyranosyl α-<small>D</small>-mannopyranoside methanol 0.375-solvate
Acta Crystallographica Section C, 2010, 66, o67-o70
2017799 CIF
HKL
Paper
C48 H60 O16 ThI 416.8182; 16.8182; 7.524
90; 90; 90
2128.2Nazarenko, Olga M.; Rusanova, Julia A.; Krautscheid, Harald; Domasevitch, Konstantin V.
<i>catena</i>-Poly[thorium(IV)-tetrakis(μ~2~-3-carboxyadamantane-1-carboxylato)]: a quadruple helical strand driven by a synergy of coordination and hydrogen bonding
Acta Crystallographica Section C, 2010, 66, m276-m279
2019085 CIF
HKL
Paper
C7 H14 N2 O4I 418.335; 18.335; 5.141
90; 90; 90
1728.3Görbitz, Carl Henrik; Yadav, Vitthal N.
An unexpected tetragonal unit cell for <i>N</i>-(<small>L</small>-2-aminobutyryl)-<small>L</small>-serine
Acta Crystallographica Section C, 2013, 69, 888-891
2101435 CIF
Paper
C34 H44 O14.5I 429.145; 29.145; 7.695
90; 90; 90
6536.4Govindachari, T. R.; Geetha Gopalakrishnan,; Rajan, S. S.; Kabaleeswaran, V.; Lessinger, L.
Molecular and crystal structure of azadirachtin-H
Acta Crystallographica Section B, 1996, 52, 145-150
2104158 CIF
HKL
Paper
C48 H72 O20 Si16I 415.004; 15.004; 7.9872
90; 90; 90
1798.08Slebodnick, Carla; Angel, Ross J.; Hanson, Brian E.; Agaskar, Pradyot A.; Soler, Tatiana; Falvello, Larry R.
Disorder and pseudo-symmetry in octakis(trivinylsilyl)octasilicate
Acta Crystallographica Section B, 2008, 64, 330-337
2105339 CIFAg Bi Cr4 O14I 48.4944; 8.4944; 8.1313
90; 90; 90
586.713Roult, G.; Riou, A.
Etude par Diffraction X et par Diffraction Neutronique en Temps de Vol de la Structure de Ag Bi (Cr2 O7)2
Acta Crystallographica B (24,1968-38,1982), 1980, 36, 1327-1331
2106473 CIFBa F5 FeI 414.919; 14.919; 7.609
90; 90; 90
1693.58von der Muehll, R.; Andersson, S.; Galy, J.
Sur quelques fluometallates alcalino-terreux. I. Structure cristalline de Ba Fe F5 et Sr Al F5
Acta Crystallographica B (24,1968-38,1982), 1971, 27, 2345-2353
2106474 CIFAl F5 SrI 414.089; 14.089; 7.617
90; 90; 90
1511.97von der Muehll, R.; Andersson, S.; Galy, J.
Sur quelques fluometallates alcalino-terreux. I. Structure cristalline de Ba Fe F5 et Sr Al F5
Acta Crystallographica B (24,1968-38,1982), 1971, 27, 2345-2353
2205445 CIF
HKL
Paper
C8 H16 O4I 410.4974; 10.4974; 4.0967
90; 90; 90
451.44Barnett, Sarah A.; Hulme, Ashley T.; Tocher, Derek A.
A low-temperature redetermination of metaldehyde
Acta Crystallographica Section E, 2005, 61, o857-o859
2230031 CIF
HKL
Paper
C24 H22 Cu N3 O5.5I 422.527; 22.527; 10.29
90; 90; 90
5222Jing, Buqin; Li, Lianzhi; Dong, Jianfang; Li, Jinghong
[<i>N</i>-(3-Methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)threoninato-κ^2^<i>O</i>^1^,<i>N</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) hemihydrate
Acta Crystallographica Section E, 2011, 67, m536
2310939 CIFH2 ThI 44.1; 4.1; 5.03
90; 90; 90
84.554Rundle, R.E.; Shull, C.G.; Woolan, E.O.
The crystal structure of thorium and zirconium dihydrides by x-ray and neutron diffraction
Acta Crystallographica (1,1948-23,1967), 1952, 5, 22-26
2310940 CIFH2 ZrI 43.52; 3.52; 4.449
90; 90; 90
55.125Rundle, R.E.; Shull, C.G.; Wollan, E.O.
The crystal structure of thorium and zirconium dihydrides by x-ray and neutron diffraction
Acta Crystallographica (1,1948-23,1967), 1952, 5, 22-26
4020849 CIFC46 H50 B N O7 S SiI 431.2194; 31.2194; 9.953
90; 90; 90
9700.7Ho-Kee Yim; Henry N. C. Wong
Diastereoselective Addition Reactions of Furyl Sulfonylimine Using Chiral Boronates as Auxiliary: Application to the Enantioselective Synthesis of 2,3-Disubstituted Furyl Sulfonylamides
Journal of Organic Chemistry, 2004, 69, 2892-2895
4020902 CIFC18 H18.5 O1.25 SI 418.7908; 18.7908; 8.8313
90; 90; 90
3118.28Paul Leong; Mark Lautens
Rhodium-Catalyzed Asymmetric Ring Opening of Oxabicyclic Alkenes with Sulfur Nucleophiles
Journal of Organic Chemistry, 2004, 69, 2194-2196
4024284 CIFC72 H128 O62 S4I 422.368; 22.368; 23.151
90; 90; 90
11583.1Lukáš Kumprecht; Miloš Buděsínský; Jiří Vondrášek; Jiří Vymětal; Jiří Čěrný; Ivana Císařová; Jiří Brynda; Vladimír Herzig; Petr Koutník; Jiří Závada; Tomáš Kraus
Rigid Duplex α-Cyclodextrin Reversibly Connected With Disulfide Bonds. Synthesis and Inclusion Complexes
Journal of Organic Chemistry, 2009, 74, 1082-1092
4027210 CIFC19 H26 N2 O8I 436.7114; 36.7114; 6.5334
90; 90; 90
8805.24Jory Lietard; Christian J. Leumann
Synthesis, Pairing, and Cellular Uptake Properties of C(6')-Functionalized Tricyclo-DNA
Journal of Organic Chemistry, 2012, 77, 4566-4577
4028847 CIFC11 H19 N O5I 416.9621; 16.9621; 9.6648
90; 90; 90
2780.69Kristína Csatayová; Stephen G. Davies; J. Gair Ford; James A. Lee; Paul M. Roberts; James E. Thomson
Asymmetric Syntheses of Methyl N,O-Diacetyl-d-3-epi-daunosaminide and Methyl N,O-Diacetyl-d-ristosaminide
Journal of Organic Chemistry, 2013, 78, 12397-12408
4031372 CIFCl3 F2 SbI 412.81; 12.81; 7.282
90; 90; 90
1194.95Ballard, J.G.; Slim, D.R.; Birchall, T.
Preparation of antimony(V) trichloride difluoride and its characterization by means of X-Ray crystallography, antimony-121 Moessbauer, and Raman spectroscopy
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1977, 1977, 1469-1472
4032511 CIFC38 H40 Cl N2 O2 Rh SI 428.8531; 28.8531; 10.2856
90; 90; 90
8562.8Zheng, Long-Sheng; Llopis, Quentin; Echeverria, Pierre-Georges; Férard, Charlène; Guillamot, Gérard; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie
Asymmetric Transfer Hydrogenation of (Hetero)arylketones with Tethered Rh(III)-N-(p-Tolylsulfonyl)-1,2-diphenylethylene-1,2-diamine Complexes: Scope and Limitations.
The Journal of organic chemistry, 2017, 82, 5607-5615
4034874 CIFC26 H40 O5.25 SiI 428.813; 28.813; 6.1244
90; 90; 90
5084.4Urabe, Daisuke; Nakagawa, Yuki; Mukai, Ken; Fukushima, Kei-Ichiro; Aoki, Naoto; Itoh, Hiroaki; Nagatomo, Masanori; Inoue, Masayuki
Total Synthesis and Biological Evaluation of 19-Hydroxysarmentogenin-3 -O-α-l-rhamnoside, Trewianin, and Their Aglycons.
The Journal of organic chemistry, 2018, 83, 13888-13910
4068322 CIFC31 H40 Fe O2.5I 425.967; 25.967; 8.1833
90; 90; 90
5517.9Top, Siden; Thibaudeau, Céline; Vessières, Anne; Brulé, Emilie; Le Bideau, Franck; Joerger, Jean-Michel; Plamont, Marie-Aude; Samreth, Soth; Edgar, Alan; Marrot, Jérôme; Herson, Patrick; Jaouen, Gérard
Synthesis and Structure Activity Relationship of Organometallic Steroidal Androgen Derivatives
Organometallics, 2009, 28, 1414
4069126 CIFC45 H70 N2 O1.5I 423.821; 23.821; 15.377
90; 90; 90
8725.5Ohno, Kouji; Arima, Kenji; Tanaka, Shinji; Yamagata, Tsuneaki; Tsurugi, Hayato; Mashima, Kazushi
Synthesis and Characterization of Proximal Dinuclear Complexes of Palladium Supported by 2,6-Bis(arylimino)phenoxy (aryl = 2,6-diisopropylphenyl and 2,4,6-tri-tert-butylphenyl) and 3,6-Bis(imino(2,6-diisopropylphenyl))pyridazine Ligands
Organometallics, 2009, 28, 3256
4105586 CIFC55 H74 N2 O10 SiI 421.3411; 21.3411; 27.0738
90; 90; 90
12330.6Bo Wang; T. Matthew Hansen; Lynn Weyer; Dimao Wu; Ting Wang; Mathias Christmann; Yingtao Lu; Lu Ying; Mary M. Engler; Russell D. Cink; Chi-Sing Lee; Feryan Ahmed; Craig J. Forsyth
Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Convergent Total Synthesis
Journal of the American Chemical Society, 2011, 133, 1506-1516
4114130 CIFC356 H569 Ba2 Cl6 N99 O109 Si16I 430.797; 30.797; 25.8915
90; 90; 90
24556.9Xiaodong Shi; Katherine M. Mullaugh; James C. Fettinger; Yun Jiang; Steven A. Hofstadler; Jeffery T. Davis
Lipophilic G-Quadruplexes Are Self-Assembled Ion Pair Receptors, and the Bound Anion Modulates the Kinetic Stability of These Complexes
Journal of the American Chemical Society, 2003, 125, 10830-10841

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