Crystallography Open Database

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2242011 CIF
HKL
C49 H48 Br Cl2 Fe2 N P2P 4311.2463; 11.2463; 33.938
90; 90; 90
4292.5Zirakzadeh, Afrooz; Stöger, Berthold; Kirchner, Karl
Crystal structure of bis{(<i>S</i>)-1-[2-(diphenylphosphanyl)ferrocenyl]-(<i>R</i>)-ethyl}ammonium bromide dichloromethane monosolvate
Acta Crystallographica Section E, 2017, 73, 152-154
2311451 CIF
Paper
C19 H19 Cd N Na2 O11P 4310.1437; 10.1437; 21.4664
90; 90; 90
2208.8Sangsawang, Matimon; Chainok, Kittipong; Wannarit, Nanthawat
Crystal structure of poly[di-aqua-bis-(μ<sub>5</sub>-benzene-1,3-di-carboxyl-ato)(<i>N</i>,<i>N</i>-di-methyl-formamide)-cadmium(II)disodium(I)].
Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1599-1602
4000874 CIFC9 H3 Nd O7P 4310.4278; 10.4278; 14.2602
90; 90; 90
1550.64Gustafsson, Mikaela; Bartoszewicz, Agnieszka; Martín-Matute, Belén; Sun, Junliang; Grins, Jekabs; Zhao, Tony; Li, Zhongyue; Zhu, Guangshan; Zou, Xiaodong
A Family of Highly Stable Lanthanide Metal−Organic Frameworks: Structural Evolution and Catalytic Activity
Chemistry of Materials, 2010, 22, 3316
4002638 CIFC2 Ce RhP 433.9245; 3.9245; 15.26
90; 90; 90
235.03Hoffmann, R.D.; Jeitschko, W.; Boonk, L.
Structural, chemical, and physical properties of rare-earth metal rhodium carbides Ln Rh C2 (Ln= La, Ce, Pr, Nd, Sm)
Chemistry of Materials (1,1989-), 1989, 1, 580-586
4023199 CIFC18 H16 Br N O2P 4310.555; 10.555; 14.647
90; 90; 90
1631.8Deju Shang; Junguo Xin; Yanling Liu; Xin Zhou; Xiaohua Liu; Xiaoming Feng
Enantioselective Aza-Diels-Alder Reaction of Aldimines with "Danishefsky-Type Diene" Catalyzed by Chiral Scandium(III)-N,N'-Dioxide Complexes
Journal of Organic Chemistry, 2008, 73, 630-637
4024145 CIFC39 H34 Cl4 Fe O4 P2 PdP 4310.5308; 10.5308; 35.165
90; 90; 90
3899.7Delong Liu; Fang Xie; Wanbin Zhang
Novel C~2~-Symmetric Planar Chiral Diphosphine Ligands and Their Application in Pd-Catalyzed Asymmetric Allylic Substitutions
Journal of Organic Chemistry, 2007, 72, 6992-6997
4025338 CIF
HKL
C17 H20 Br N O2 SP 4312.7478; 12.7478; 10.8174
90; 90; 90
1757.9Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna
Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent
Journal of Organic Chemistry, 2010, 75, 2357-2368
4025661 CIFC17 H17 N OP 4310.00645; 10.00645; 13.4991
90; 90; 90
1351.65Hidetsugu Tabata; Hiroyuki Suzuki; Kumi Akiba; Hideyo Takahashi; Hideaki Natsugari
Atropisomeric Properties of 7-, 8-, and 9-Membered-Ring Dibenzolactams: Conformation, Thermal Stability, and Chemical Reactivity
Journal of Organic Chemistry, 2010, 75, 5984-5993
4026275 CIFC16 H25 N O2P 438.2499; 8.2499; 42.596
90; 90; 90
2899.1Yu-Rong Yang; Liang Shen; Jiu-Zhong Huang; Tao Xu; Kun Wei
Application of the Helquist Annulation in Lycopodium Alkaloid Synthesis: Unified Total Syntheses of (-)-8-Deoxyserratinine, (+)-Fawcettimine, and (+)-Lycoflexine
Journal of Organic Chemistry, 2011, 76, 3684-3690
4026295 CIFC26 H20 O4P 4311.7955; 11.7955; 28.477
90; 90; 90
3962.1Marwan W. Ghosn; Christian Wolf
Synthesis, Conformational Stability, and Asymmetric Transformation of Atropisomeric 1,8-Bisphenolnaphthalenes
Journal of Organic Chemistry, 2011, 76, 3888-3897
4026555 CIFC34 H38 N12 O6 S SiP 4317.235; 17.235; 12.72
90; 90; 90
3778.4Martin R. Krause; Richard Goddard; Stefan Kubik
Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits
Journal of Organic Chemistry, 2011, 76, 7084-7095
4026627 CIFC25 H22 O SP 439.7389; 9.7389; 20.8131
90; 90; 90
1974.04Zhen-Tao Weng; Yuan Li; Shi-Kai Tian
Catalytic Asymmetric α-Alkylation of Ketones and Aldehydes with N-Benzylic Sulfonamides through Carbon-Nitrogen Bond Cleavage
Journal of Organic Chemistry, 2011, 76, 8095-8099
4026940 CIFC27 H24 O4P 438.0546; 8.0546; 32.476
90; 90; 90
2106.9Hong-Xia Xu; Su-Fang Cheng; Xiu-Jie Yang; Bin Chen; Yue Chen; Li-Ping Zhang; Li-Zhu Wu; Weihai Fang; Chen-Ho Tung; Richard G. Weiss
Enhancement of Diastereoselectivity in Photodimerization of Alkyl 2-Naphthoates with Chiral Auxiliaries via Inclusion within γ-Cyclodextrin Cavities
Journal of Organic Chemistry, 2012, 77, 1685-1692
4028706 CIFC34 H36 O10P 4313.3203; 13.3203; 18.4658
90; 90; 90
3276.39Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner
Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues
Journal of Organic Chemistry, 2013, 78, 10784-10801
4028879 CIFC28 H24 F6 N4 O2P 4310.532; 10.532; 44.888
90; 90; 90
4979Shanshan Yu; Winston Plunkett; Michael Kim; Elaine Wu; Michal Sabat; Lin Pu
Molecular Recognition of Aliphatic Diamines by 3,3'-Di(trifluoroacetyl)-1,1'-bi-2-naphthol
Journal of Organic Chemistry, 2013, 78, 12671-12680
4028928 CIFC10 H12 N2 O3P 437.9423; 7.9423; 16.974
90; 90; 90
1070.7Fowler, Sarah A.; Luechapanichkul, Rinrada; Blackwell, Helen E.
Synthesis and Characterization of Nitroaromatic Peptoids: Fine Tuning Peptoid Secondary Structure through Monomer Position and Functionality
The Journal of Organic Chemistry, 2009, 74, 1440-1449
4029154 CIFC20 H18 Cl F N12P 4321.074; 21.074; 4.5777
90; 90; 90
2033Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang
Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility.
The Journal of organic chemistry, 2014, 79, 2178-2188
4031958 CIFC16 H14 N2P 439.6634; 9.6634; 14.0625
90; 90; 90
1313.17Quinodoz, Pierre; Drouillat, Bruno; Wright, Karen; Marrot, Jérôme; Couty, François
N-Arylazetidines: Preparation through Anionic Ring Closure.
The Journal of organic chemistry, 2016, 81, 2899-2910
4033214 CIFC40 H31 Cl N2 O2P 4312.0103; 12.0103; 43.759
90; 90; 90
6312.1Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo
TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.
The Journal of organic chemistry, 2017, 82, 13277-13287
4034130 CIFC22 H27 O PP 4313.5362; 13.5362; 10.578
90; 90; 90
1938.2Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang
Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.
The Journal of organic chemistry, 2019, 84, 8423-8439
4034499 CIFC18 H18 N O P SP 4311.4607; 11.4607; 12.8304
90; 90; 90
1685.24Seo, Chris S. G.; Tannoux, Thibault; Smith, Samantha A. M.; Lough, Alan J.; Morris, Robert H.
Enantioselective Hydrogenation of Activated Aryl Imines Catalyzed by an Iron(II) P-NH-P' Complex.
The Journal of organic chemistry, 2019, 84, 12040-12049
4036723 CIFC37 H36 Br2 Cl3 D N4 O4P 4313.811; 13.811; 20.076
90; 90; 90
3829.4Fang, Lixia; Lv, Caixia; Wang, Guo; Feng, Lei; Stavropoulos, Pericles; Gao, Guangpeng; Ai, Lin; Zhang, Jiaxin
Discrimination of Enantiomers of Dipeptide Derivatives with Two Chiral Centers by Tetraaza Macrocyclic Chiral Solvating Agents Using <sup>1</sup>H NMR Spectroscopy.
Organic chemistry frontiers : an international journal of organic chemistry, 2016, 3, 1716-1724
4037955 CIFC24 H17 Br N2 O4 SP 438.7367; 8.7367; 56.083
90; 90; 90
4280.8Luo, Mupeng; Zhu, Xinlei; Liu, Rufeng; Yu, Shunming; Wei, Wanguo
FeCl3-Promoted Annulation of 2-haloindoles: Switchable Synthesis of Spirooxindole-chromeno[2,3-b]indoles and Spirooxindole-chromeno[3,2-b]indoles.
The Journal of organic chemistry, 2020
4064229 CIFC47 H30 Au Cl F12 N2P 4326.152; 26.152; 12.237
90; 90; 90
8369Wilckens, Kristina; Lentz, Dieter; Czekelius, Constantin
Synthesis of Gold Complexes Bearing Sterically Highly Encumbered, Chiral Carbene Ligands
Organometallics, 2011, 30, 1287
4067885 CIFC40 H56 Al N5 O3P 4313.5261; 13.5261; 21.1284
90; 90; 90
3865.6Tai, Chia-Cheng; Chang, Ya-Ting; Tsai, Jie-Hong; Jurca, Titel; Yap, Glenn P. A.; Ong, Tiow-Gan
Subtle Reactivities of Boron and Aluminum Complexes with Amino-Linked N-Heterocyclic Carbene Ligation
Organometallics, 2012, 31, 637
4072496 CIFC26 H20 Au F N3 PP 4312.8693; 12.8693; 14.655
90; 90; 90
2427.14Partyka, David V.; Updegraff, James B.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.
Carbon−Gold Bond Formation through [3 + 2] Cycloaddition Reactions of Gold(I) Azides and Terminal Alkynes
Organometallics, 2007, 26, 183
4072497 CIFC24 H25 Au N3 PP 4313.0753; 13.0753; 13.0705
90; 90; 90
2234.6Partyka, David V.; Updegraff, James B.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.
Carbon−Gold Bond Formation through [3 + 2] Cycloaddition Reactions of Gold(I) Azides and Terminal Alkynes
Organometallics, 2007, 26, 183
4072498 CIFC27 H23 Au N3 PP 4313.7355; 13.7355; 12.5315
90; 90; 90
2364.2Partyka, David V.; Updegraff, James B.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.
Carbon−Gold Bond Formation through [3 + 2] Cycloaddition Reactions of Gold(I) Azides and Terminal Alkynes
Organometallics, 2007, 26, 183
4074594 CIFC19 H31 Cl P2 PtP 4310.6441; 10.6441; 18.9672
90; 90; 90
2148.9Scriban, Corina; Wicht, Denyce K.; Glueck, David S.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.
Platinum(II) Phosphido Complexes as Metalloligands. Structural and Spectroscopic Consequences of Conversion from Terminal to Bridging Coordination
Organometallics, 2006, 25, 3370
4074957 CIFC22 H24 B10 N4P 4311.2311; 11.2311; 19.104
90; 90; 90
2409.7Prokhorov, Anton M.; Kozhevnikov, Dmitry N.; Rusinov, Vladimir L.; Chupakhin, Oleg N.; Glukhov, Ivan V.; Antipin, Mikhail Yu.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.
Carborane-Functionalized Polyaza Aromatic Ligands: Synthesis, Crystal Structure, and a Copper(II) Complex
Organometallics, 2006, 25, 2972
4076815 CIFC32 H66 Ga6P 4316.1617; 16.1617; 14.0998
90; 90; 90
3682.9Uhl, Werner; Cuypers, Lars; Neumüller, Bernhard; Weller, Frank
Hydrogallation of Alkynes: Syntheses of Carbon−Gallium Cages Possessing Heteroadamantane Structures
Organometallics, 2002, 21, 2365
4080500 CIFC34 H36 F6 Fe4 N2 O2 PP 4310.4257; 10.4257; 30.5083
90; 90; 90
3316.11Okazaki, Masaaki; Taniwaki, Wataru; Miyagi, Kazuki; Takano, Masato; Kaneko, Satoshi; Ozawa, Fumiyuki
Lewis Acid Chemistry of a Cationic [CCH] Subunit in a Bisdisphenoidal Eight-Atom Tetrairon‒Tetracarbon Cluster
Organometallics, 2013, 32, 1951
4082033 CIFC45 H51 Cu F6 N2 P2P 4311.8195; 11.8195; 30.481
90; 90; 90
4258.2Guo, Shuai; Lim, Miao Hui; Huynh, Han Vinh
Copper(I) Heteroleptic Bis(NHC) and Mixed NHC/Phosphine Complexes: Syntheses and Catalytic Activities in the One-Pot Sequential CuAAC Reaction of Aromatic Amines
Organometallics, 2013, 32, 7225
4085899 CIFC25 H46 N4 PtP 4313.4387; 13.4387; 14.6891
90; 90; 90
2652.83Brendel, Matthias; Engelke, René; Desai, Vidya G.; Rominger, Frank; Hofmann, Peter
Synthesis and Reactivity of Platinum(II)cis-Dialkyl,cis-Alkyl Chloro, andcis-Alkyl Hydrido Bis-N-heterocyclic Carbene Chelate Complexes
Organometallics, 2015, 34, 2870
4087166 CIFC53 H24 B F20 N ZrP 4311.5751; 11.5751; 34.248
90; 90; 90
4588.65Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M.
Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes
Organometallics, 2017
4101207 CIFC34 H50 N2 O3 S SiP 4311.286; 11.286; 27.256
90; 90; 90
3471.7Journal of the American Chemical Society, 2006
4102257 CIFC30 H36 Cl2 N2 O2 S2P 4313.024; 13.024; 16.759
90; 90; 90
2842.7Robert R. Knowles; Song Lin; Eric N. Jacobsen
Enantioselective Thiourea-Catalyzed Cationic Polycyclizations
Journal of the American Chemical Society, 2010, 132, 5030-5032
4108067 CIFC24 H34 F6 N4 Ni OP 4310.801; 10.801; 24.033
90; 90; 90
2803.7Thomas Schaub; Peter Fischer; Andreas Steffen; Thomas Braun; Udo Radius; Andreas Mix
C-F Activation of Fluorinated Arenes using NHC-Stabilized Nickel(0) Complexes: Selectivity and Mechanistic Investigations
Journal of the American Chemical Society, 2008, 130, 9304-9317
4108202 CIFC16 H18 O4P 436.3993; 6.3993; 36.513
90; 90; 90
1495.2K. C. Nicolaou; T. Robert Wu; David Sarlah; David M. Shaw; Eric Rowcliffe; Dennis R. Burton
Total Synthesis, Revised Structure, and Biological Evaluation of Biyouyanagin A and Analogues Thereof
Journal of the American Chemical Society, 2008, 130, 11114-11121
4108367 CIFC26 H52 N2 O3 S2 WP 4310.476; 10.476; 27.2433
90; 90; 90
2989.86Stanislav Groysman; Jun-Jieh Wang; Ranitendranath Tagore; Sonny C. Lee; Richard H. Holm
A Biomimetic Approach to Oxidized Sites in the Xanthine Oxidoreductase Family: Synthesis and Stereochemistry of Tungsten(VI) Analogue Complexes
Journal of the American Chemical Society, 2008, 130, 12794-12807
4108895 CIFC4 H10 Mg O8P 437.943; 7.943; 12.8125
90; 90; 90
808.357Jian Zhang; Shumei Chen; Areg Zingiryan; Xianhui Bu
Integrated Molecular Chirality, Absolute Helicity, and Intrinsic Chiral Topology in Three-Dimensional Open-Framework Materials
Journal of the American Chemical Society, 2008, 130, 17246-17247
4109431 CIFC8 H6 Cl N O3P 438.1373; 8.1373; 13.013
90; 90; 90
861.66Yi Wang; Hongming Li; Yong-Qiang Wang; Yan Liu; Bruce M. Foxman; Li Deng
Asymmetric Diels-Alder Reactions of 2-Pyrones with a Bifunctional Organic Catalyst
Journal of the American Chemical Society, 2007, 129, 6364-6365
4109510 CIFC28 H29 Cl2 N O4P 4311.4707; 11.4707; 19.7124
90; 90; 90
2593.7Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda
Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions
Journal of the American Chemical Society, 2007, 129, 7407-7420
4110451 CIFC32 H16 N10 S4 ZnP 438.937; 8.937; 40.324
90; 90; 90
3220.7Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour
Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces
Journal of the American Chemical Society, 2006, 128, 3179-3189
4110454 CIFC32 H16 Cu N10 S4P 438.966; 8.966; 39.873
90; 90; 90
3205.4Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour
Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces
Journal of the American Chemical Society, 2006, 128, 3179-3189
4110455 CIFC32 H16 N10 Ni S4P 438.8643; 8.8643; 40.515
90; 90; 90
3183.5Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour
Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces
Journal of the American Chemical Society, 2006, 128, 3179-3189
4110456 CIFC32 H16 Co N10 S4P 438.898; 8.898; 40.385
90; 90; 90
3197.5Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour
Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces
Journal of the American Chemical Society, 2006, 128, 3179-3189
4110457 CIFC32 H16 Fe N10 S4P 438.917; 8.917; 40.516
90; 90; 90
3221.5Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour
Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces
Journal of the American Chemical Society, 2006, 128, 3179-3189
4111278 CIFC22 H31 N3 O9P 4310.542; 10.542; 22.5021
90; 90; 90
2500.74Cheol-Kyu Jung; Michael J. Krische
Asymmetric Induction in Hydrogen-Mediated Reductive Aldol Additions to α-Amino Aldehydes Catalyzed by Rhodium: Selective Formation of syn-Stereotriads Directed by Intramolecular Hydrogen-Bonding
Journal of the American Chemical Society, 2006, 128, 17051-17056
4111746 CIFC12.44 H16.89 N0.89 O1.78P 439.0707; 9.0707; 32.245
90; 90; 90
2653David A. Evans; Jimmy Wu
Enantioselective Syn-Selective Scandium-Catalyzed Ene Reactions
Journal of the American Chemical Society, 2005, 127, 8006-8007

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