Crystallography Open Database

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2211922 CIF
HKL
Paper
C12 H12 N12 Ni O5P 32 2 112.406; 12.406; 12.211
90; 90; 120
1627.6Yun Ling; Hong-Yan Gao; Lei Zhang
[Bis(triazol-1-yl)acetato]nickel(II) monohydrate
Acta Crystallographica Section E, 2007, 63, m193-m195
2213623 CIF
HKL
Paper
C18 H9 I3 S3P 32 2 112.969; 12.969; 20.7
90; 90; 120
3015Zhu, Chen-Hao; Li, Wei-Jie; Kong, Lin
1,3,5-Tris(5-iodothiophen-2-yl)benzene
Acta Crystallographica Section E, 2007, 63, o2761-o2761
2217706 CIF
HKL
Paper
C17 H28 O5P 32 2 110.0253; 10.0253; 28.628
90; 90; 120
2491.8Jasinski, Jerry P.; Butcher, Ray J.; Yathirajan, H. S.; Narayana, B.; Sreevidya, T. V.
A second polymorph of β-arteether
Acta Crystallographica Section E, 2008, 64, o585-o586
2219249 CIF
HKL
Paper
C36 H28 P2 Pd S2P 32 2 19.306; 9.306; 30.069
90; 90; 120
2255.2Fierro-Arias, Jaime; Morales-Morales, David; Hernández-Ortega, Simón
<i>cis</i>-Bis[2-(diphenylphosphino)benzenethiolato-κ^2^<i>P</i>,<i>S</i>]palladium(II)
Acta Crystallographica Section E, 2008, 64, m1196
2222535 CIF
HKL
Paper
C6 H21 Br2 Mg N3P 32 2 19.0951; 9.0951; 14.4544
90; 90; 120
1035.49Vitze, Hannes; Lerner, Hans-Wolfram; Bolte, Michael
Dibromidotris(dimethylamine)magnesium(II)
Acta Crystallographica Section E, 2009, 65, m888
2236145 CIF
HKL
Paper
C24 H26 O2 Si2P 32 2 19.2241; 9.2241; 23.7787
90; 90; 120
1752.13Sparrow, Christopher R.; Fronczek, Frank R.; Watkins, Steven F.
1,2-Bis{2-[2-(trimethylsilyl)ethynyl]phenyl}ethane-1,2-dione
Acta Crystallographica Section E, 2012, 68, o2809
2240843 CIF
HKL
Paper
Pd6.69 Sn4.31P 32 2 18.77574; 8.77574; 16.9004
90; 90; 120
1127.18Klein, Wilhelm; Jin, Hanpeng; Hlukhyy, Viktor; Fässler, Thomas F.
`Pd~20~Sn~13~' revisited: crystal structure of Pd~6.69~Sn~4.31~
Acta Crystallographica Section E, 2015, 71, 807-809
2240849 CIF
HKL
Paper
C5 N6P 32 2 18.0746; 8.0746; 16.7315
90; 90; 120
944.73Parrish, Damon A.; Kramer, Stephanie; Windler, G. Kenneth; Chavez, David E.; Leonard, Philip W.
Crystal structure of 2-diazoimidazole-4,5-dicarbonitrile
Acta Crystallographica Section E, 2015, 71, o491
2300366 CIFGe0.97 O2 Si0.03P 32 2 14.983; 4.983; 5.6339
90; 90; 120
121.149Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe
Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals
Journal of Applied Crystallography, 2012, 45, 272-278
2300368 CIF
HKL
Ge0.9 O2 Si0.1P 32 2 14.97517; 4.97517; 5.60565
90; 90; 120
120.163Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe
Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals
Journal of Applied Crystallography, 2012, 45, 272-278
2300370 CIFO2 SiP 32 2 14.91636; 4.91636; 5.4084
90; 90; 120
113.211Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe
Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals
Journal of Applied Crystallography, 2012, 45, 272-278
3000027 On hold until 2014-04-19B4 Dy Fe3 O12P 32 2 19.5298; 9.5298; 7.5461
90; 90; 120
593.5Tomoyasu Usui; Yoshikazu Tanaka; Hiroshi Nakajima; M. Taguchi; A. Chainani; M. Oura; S. Shin; Naoyuki Katayama; Hiroshi Sawa; Yusuke Wakabayashi; Tsuyoshi Kimura
Observation of quadrupole helix chirality and its domain structure in DyFe3(BO3)4
To be published
3000028 On hold until 2014-04-19B4 Dy Fe3 O12P 32 2 19.5337; 9.5337; 7.5516
90; 90; 120
594.42Tomoyasu Usui; Yoshikazu Tanaka; Hiroshi Nakajima; M. Taguchi; A. Chainani; M. Oura; S. Shin; Naoyuki Katayama; Hiroshi Sawa; Yusuke Wakabayashi; Tsuyoshi Kimura
Observation of quadrupole helix chirality and its domain structure in DyFe3(BO3)4
To be published
3000029 On hold until 2014-04-19B4 Dy Fe3 O12P 32 2 19.5266; 9.5266; 7.5471
90; 90; 120
593.18Tomoyasu Usui; Yoshikazu Tanaka; Hiroshi Nakajima; M. Taguchi; A. Chainani; M. Oura; S. Shin; Naoyuki Katayama; Hiroshi Sawa; Yusuke Wakabayashi; Tsuyoshi Kimura
Observation of quadrupole helix chirality and its domain structure in DyFe3(BO3)4
To be published
3000031 On hold until 2014-04-19B4 Dy Fe3 O12P 32 2 19.528; 9.528; 7.5462
90; 90; 120
593.28Tomoyasu Usui; Yoshikazu Tanaka; Hiroshi Nakajima; M. Taguchi; A. Chainani; M. Oura; S. Shin; Naoyuki Katayama; Hiroshi Sawa; Yusuke Wakabayashi; Tsuyoshi Kimura
Observation of quadrupole helix chirality and its domain structure in DyFe3(BO3)4
To be published
4000500 CIFGd H2 Na O9 S2P 32 2 16.8816; 6.8816; 12.7702
90; 90; 120
523.73Josefina Perles; Carlos Fortes-Revilla; Enrique Gutiérrez-Puebla; Marta Iglesias; M. Ángeles Monge; Caridad Ruiz-Valero; Natalia Snejko
Synthesis, Structure, and Catalytic Properties of Rare-Earth Ternary Sulfates
Chemistry of Materials, 2005, 17, 2701-2706
4001621 CIFC73 H57 Br2 Cl9 Cu2 N2 P4P 32 2 118.5561; 18.5561; 21.2628
90; 90; 120
6340.5Tan, Xin; Li, Lei; Zhang, Jianyong; Han, Xiaorui; Jiang, Long; Li, Fuwei; Su, Cheng-Yong
Three-Dimensional Phosphine Metal‒Organic Frameworks Assembled from Cu(I) and Pyridyl Diphosphine
Chemistry of Materials, 2012, 24, 480
4001622 CIFC37 H29 Cl7 Cu N P2P 32 2 118.41; 18.41; 21.321
90; 90; 120
6258Tan, Xin; Li, Lei; Zhang, Jianyong; Han, Xiaorui; Jiang, Long; Li, Fuwei; Su, Cheng-Yong
Three-Dimensional Phosphine Metal‒Organic Frameworks Assembled from Cu(I) and Pyridyl Diphosphine
Chemistry of Materials, 2012, 24, 480
4001747 CIFB O5 P SrP 32 2 16.885; 6.885; 6.87
90; 90; 120
282.03Zhang Guochun; Du Chenxia; Pan Shilie; Chen Chuangyan; Fu Peizhen; Wu Xicheng; Li Zhihua
Growth, structure and properties of single crystals of Sr B P O5
Chemistry of Materials (1,1989-), 2003, 15, 2218-2221
4003222 CIFC7 H D11.14 Fe O3P 32 2 121.847; 21.847; 6.8729
90; 90; 120
2840.9Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.
Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)
Chemistry of Materials, 2016, 28, 1128
4003223 CIFC7 H D3.74 Fe O3P 32 2 121.831; 21.831; 6.8543
90; 90; 120
2829.1Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.
Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)
Chemistry of Materials, 2016, 28, 1128
4003224 CIFC7 H D7.64 Fe O3P 32 2 121.813; 21.813; 6.8688
90; 90; 120
2830.4Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.
Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)
Chemistry of Materials, 2016, 28, 1128
4003225 CIFC24 H28 Co2 N2 O8P 32 2 121.7036; 21.7036; 6.844
90; 90; 120
2791.93Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.
Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)
Chemistry of Materials, 2016, 28, 1128
4003226 CIFC7 H0.98 D2.02 Fe O3P 32 2 121.848; 21.848; 6.8136
90; 90; 120
2816.6Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.
Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)
Chemistry of Materials, 2016, 28, 1128
4003227 CIFC7 H D5.2 Fe O3P 32 2 121.823; 21.823; 6.8695
90; 90; 120
2833.2Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.
Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)
Chemistry of Materials, 2016, 28, 1128
4020021 CIFC40.5 H27 Cl O2P 32 2 111.422; 11.422; 40.05
90; 90; 120
4525Matzger, Adam J.; Price, Christopher P.
Journal of Organic Chemistry, 2005, 70, 1-6
4020598 CIFC17 H21 N O5 SP 32 2 110.2987; 10.2987; 28.821
90; 90; 120
2647.4José L. García Ruano; Alberto Fraile; Ana M. Martín Castro; M. Rosario Martín
The Role of the Sulfinyl Group on the Course of the Reactions of 3-p-Tolylsulfinylfuran-2(5H)-ones with Nitrones. Synthetic Uses of Cycloreversion Processes
Journal of Organic Chemistry, 2005, 70, 8825-8834
4022121 CIFC156 H174 Br6 N12 O24P 32 2 134.775; 34.775; 31.201
90; 90; 120
32676.3Ho Yong Lee; Dohyun Moon; Myoung Soo Lah; Jong-In Hong
Triangular Assembly Through Charged Hydrogen Bonds in Polar Solvent
Journal of Organic Chemistry, 2006, 71, 9225-9228
4023103 CIFC13 H22 O3P 32 2 19.8192; 9.8192; 24.526
90; 90; 120
2047.9Zhenlei Song; Richard P. Hsung; Ting Lu; Andrew G. Lohse
Studies on a Urea-Directed Stork-Crabtree Hydrogenation. Synthesis of the C1-C9 Subunit of (+)-Zincophorin
Journal of Organic Chemistry, 2007, 72, 9722-9731
4026234 CIFC30 H28 N2 O4 S2P 32 2 19.1735; 9.1735; 25.9022
90; 90; 120
1887.72Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm
Synthesis and Conformation of Chiral Biheteroaryls
Journal of Organic Chemistry, 2011, 76, 3222-3230
4026236 CIFC34 H36 N2 O4 S2P 32 2 110.7373; 10.7373; 47.341
90; 90; 120
4726.7Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm
Synthesis and Conformation of Chiral Biheteroaryls
Journal of Organic Chemistry, 2011, 76, 3222-3230
4027650 CIFC29 H44 N6 O7.5P 32 2 113.6137; 13.6137; 30.6199
90; 90; 120
4914.58Sujeewa Ranatunga; Chih-Hang Anthony Tang; Chih-Chi Andrew Hu; Juan R. Del Valle
Total Synthesis and Structural Revision of Lucentamycin A
Journal of Organic Chemistry, 2012, 77, 9859-9864
4028386 CIFC21 H19 Br2 N O6P 32 2 118.5929; 18.5929; 14.0338
90; 90; 120
4201.5Zhen-Xin Jia; Yong-Chun Luo; Xi-Na Cheng; Peng-Fei Xu; Yu-Cheng Gu
Organocatalyzed Michael-Michael Cascade Reaction: Asymmetric Synthesis of Polysubstituted Chromans
Journal of Organic Chemistry, 2013, 78, 6488-6494
4028820 CIF
HKL
C28 H36 N2 O3P 32 2 117.3834; 17.3834; 48.1688
90; 90; 120
12605.7Joanna V. Geden; Benjamin O. Beasley; Guy J. Clarkson; Michael Shipman
Asymmetric Synthesis of 2-Substituted Oxetan-3-ones via Metalated SAMP/RAMP Hydrazones
Journal of Organic Chemistry, 2013, 78, 12243-12250
4029419 CIFC31 H28 Cl N3 O2P 32 2 114.5913; 14.5913; 24.0429
90; 90; 120
4433.1Tan, Wei; Du, Bai-Xiang; Li, Xin; Zhu, Xu; Shi, Feng; Tu, Shu-Jiang
Catalytic Asymmetric Aza-ene Reaction of 3-Indolylmethanols with Cyclic Enaminones: Enantioselective Approach to C3-Functionalized Indoles.
The Journal of organic chemistry, 2014, 79, 4635-4643
4031635 CIFCr Cs2 N5 O15P 32 2 111.062; 11.062; 9.919
90; 90; 120
1051.15Fedorova, A.A.; Chizhov, P.S.; Morozov, I.V.; Troyanov, S.I.
Synthesis and Crystal Structures of New Iron(III) and Chromium(III) Nitrate Complexes Cs[Fe(NO3)4], Cs2[Cr(NO3)5], and Cs3[Cr(NO3)6]
Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii), 2002, 47, 1845-1852
4034127 CIFC24 H33 Cl2 O P PdP 32 2 115.7436; 15.7436; 19.151
90; 90; 120
4110.8Zhang, 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
4034506 CIFC54 H76 O4 S2P 32 2 113.0211; 13.0211; 25.5008
90; 90; 120
3744.38Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel
Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.
The Journal of organic chemistry, 2019, 84, 11572-11580
4035112 CIFC16 H18 O3P 32 2 111.3565; 11.3565; 9.147
90; 90; 120
1021.64Pilevar, Afsaneh; Hosseini, Abolfazl; Šekutor, Marina; Hausmann, Heike; Becker, Jonathan; Turke, Kevin; Schreiner, Peter R.
Tuning the Reactivity of Peroxo Anhydrides for Aromatic C-H Bond Oxidation.
The Journal of organic chemistry, 2018, 83, 10070-10079
4035124 CIFC68 H24 O8P 32 2 111.8424; 11.8424; 23.682
90; 90; 120
2876.26Ueno, Hiroshi; Uchiyama, Kouya; Ma, Yue; Watanabe, Keita; Yoza, Kenji; Matsuo, Yutaka; Moriyama, Hiroshi
Octaalkoxyfullerenes: Widely LUMO-Tunable C<sub>2 v</sub>-Symmetric Fullerene Derivatives.
The Journal of organic chemistry, 2018, 83, 10655-10659
4035282 CIFC28 H33 N O7P 32 2 120.0368; 20.0368; 12.7561
90; 90; 120
4435.12Zhou, Ming; Zhou, Jia; Liu, Junjun; Liang, Jing-Jing; Peng, Xiao-Gang; Duan, Fang-Fang; Ruan, Han-Li
Parasubindoles A-G, Seven Eremophilanyl Indoles from the Whole Plant of Parasenecio albus.
The Journal of organic chemistry, 2018, 83, 12122-12128
4036164 CIFC12 H21 N O3 SP 32 2 19.1098; 9.1098; 29.0236
90; 90; 120
2085.93Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Komarov, Igor V.
Synthesis and structural analysis of angular monoprotected diamines based on spiro[3.3]heptane scaffold.
The Journal of organic chemistry, 2015, 80, 3974-3981
4062405 CIFC41 H76 N10 O Zr2P 32 2 113.3607; 13.3607; 23.5264
90; 90; 120
3637.01Hagadorn, John R.; McNevin, Michael J.; Wiedenfeld, Grant; Shoemaker, Richard
Dizirconium Complexes Supported by Preorganized Binucleating Bis(amidinates)
Organometallics, 2003, 22, 4818-4824
4065681 CIFC50 H72 I4 N8 Zn4P 32 2 112.208; 12.208; 34.722
90; 90; 120
4481.5Gutschank, Benjamin; Schulz, Stephan; Westphal, Ulrich; Bläser, Dieter; Boese, Roland
Synthesis and X-ray Crystal Structures of Tetranuclear Zincamidinate Complexes
Organometallics, 2010, 29, 2093
4069862 CIFC26 H52 Br N2 O P2 ReP 32 2 111.225; 11.225; 21.6967
90; 90; 120
2367.54Jiang, Yanfeng; Blacque, Olivier; Fox, Thomas; Frech, Christian M.; Berke, Heinz
Development of Rhenium Catalysts for Amine Borane Dehydrocoupling and Transfer Hydrogenation of Olefins
Organometallics, 2009, 28, 5493
4073277 CIFC44 H50 Cl2 P2 Ru2P 32 2 118.011; 18.011; 12.1888
90; 90; 120
3424.3Miyake, Yoshihiro; Nomaguchi, Yohei; Yuki, Masahiro; Nishibayashi, Yoshiaki
Synthesis and Reactivity of Diphosphine-Bridged Diruthenium Complexes
Organometallics, 2007, 26, 3611
4073797 CIFC54 H64 Cl2 N4 O Rh2P 32 2 111.9962; 11.9962; 28.3024
90; 90; 120
3527.3Jeletic, Matthew S.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.
Mono- and Bimetallic Rhodium(I) Complexes Supported by NewC2-Symmetric Bis-N-heterocyclic Carbene Ligands: Metalation via CC Bond Cleavage under Mild Conditions
Organometallics, 2007, 26, 5267
4078639 CIFC84 H80 F12 O5 P6 Pd2 S2P 32 2 114.9538; 14.9538; 30.2975
90; 90; 120
5867.3Suess, Daniel L. M.; Peters, Jonas C.
Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes
Organometallics, 2012, 31, 5213
4079829 CIFC20 H12 F2 O2P 32 2 110.68954; 10.68954; 23.2454
90; 90; 120
2300.31Hrdina, Radim; Guénée, Laure; Moraleda, Delphine; Lacour, Jérôme
Synthesis, Structural Analysis, and Catalytic Properties of Tetrakis(binaphthyl or octahydrobinaphthyl phosphate) Dirhodium(II,II) Complexes
Organometallics, 2013, 32, 473
4081364 CIFC14 H22 F3 N3 O4 Pd SP 32 2 111.60504; 11.60504; 24.7296
90; 90; 120
2884.3Frutos-Pedre Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.
Reactivity of Ortho-Palladated Benzamides toward CO, Isocyanides, and Alkynes. Synthesis of Functionalized Isoindolin-1-ones and 4,5-Disubstituted Benzo[c]azepine-1,3-diones
Organometallics, 2013, 32, 4664
4081506 CIFC68 H62 F6 Fe N6 O18 Pd2 S4P 32 2 114.211; 14.211; 31.1139
90; 90; 120
5441.7Weber, Manuel; Klein, Johannes E. M. N.; Miehlich, Burkhard; Frey, Wolfgang; Peters, René
Monomeric Ferrocene Bis-Imidazoline Bis-Palladacycles: Variation of Pd‒Pd Distances by an Interplay of Metallophilic, Dispersive, and Coulombic Interactions
Organometallics, 2013, 32, 5810
4085003 CIFC52 H72 Cl4 N2 O2 P2 Pd2P 32 2 120.139; 20.139; 13.7756
90; 90; 120
4838.6Serin, Spencer C.; Patrick, Brian O.; Dake, Gregory R.; Gates, Derek P.
Reaction of an Enantiomerically Pure Phosphaalkene-Oxazoline with MeM Nucleophiles (M = Li and MgBr): Stereoselectivity and Noninnocence of the P-Mesityl Substituent
Organometallics, 2014, 141201152116001
4101246 CIFC846 H1919 N262 O491 S8.83P 32 2 165.68; 65.68; 79.46
90; 90; 120
296844Fuhrmann, Cynthia N; Daugherty, Matthew D; Agard, David A
Subangstrom crystallography reveals that short ionic hydrogen bonds, and not a His-Asp low-barrier hydrogen bond, stabilize the transition state in serine protease catalysis.
Journal of the American Chemical Society, 2006, 128, 9086-9102
4101247 CIFC846 H2027 B N262 O581 S9.5P 32 2 165.77; 65.77; 79.55
90; 90; 120
298004Fuhrmann, Cynthia N; Daugherty, Matthew D; Agard, David A
Subangstrom crystallography reveals that short ionic hydrogen bonds, and not a His-Asp low-barrier hydrogen bond, stabilize the transition state in serine protease catalysis.
Journal of the American Chemical Society, 2006, 128, 9086-9102
4101427 CIFC319.5 H235 Au10 Cl15 F30 N12 O20 P10P 32 2 136.405; 36.405; 49.917
90; 90; 120
57294Wheaton, Craig A; Eisler, Dana J; Jennings, Michael C; Puddephatt, Richard J
Self-assembly of coordination polymers: evidence for dynamic exchange between oligomers in solution and the isolation of a homochiral decagold(I) oligomer.
Journal of the American Chemical Society, 2006, 128, 15370-15371
4101631 CIFC62 H135 Fe0.5 Mo9 N5.5 O30P 32 2 118.286; 18.286; 49.079
90; 90; 120
14212Zhang, Jin; Hao, Jian; Wei, Yongge; Xiao, Fengping; Yin, Panchao; Wang, Longsheng
Nanoscale chiral rod-like molecular triads assembled from achiral polyoxometalates.
Journal of the American Chemical Society, 2010, 132, 14-15
4104427 CIFC30 H51 Au2 Cl12 P2P 32 2 115.787; 15.787; 30.811
90; 90; 120
6650.2Thomas S. Teets; Daniel G. Nocera
Halogen Photoreductive Elimination from Gold(III) Centers
Journal of the American Chemical Society, 2009, 131, 7411-7420
4105991 CIFC14 H25 B N O PP 32 2 112.7622; 12.7622; 33.2409
90; 90; 120
4688.7Thierry León; Antoni Riera; Xavier Verdaguer
Stereoselective Synthesis of P-Stereogenic Aminophosphines: Ring Opening of Bulky Oxazaphospholidines
Journal of the American Chemical Society, 2011, 133, 5740-5743
4106631 CIFC47 H68 O2 ThP 32 2 117.0548; 17.0548; 12.2849
90; 90; 120
3094.5Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter
Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies
Journal of the American Chemical Society, 2011, 133, 13183-13196
4106838 CIFC32 H34 N2 O7 SP 32 2 111.9335; 11.9335; 36.635
90; 90; 120
4518.2Yankai Liu; Manuel Nappi; Elena Arceo; Silvia Vera; Paolo Melchiorre
Asymmetric Catalysis of Diels-Alder Reactions with in Situ Generated Heterocyclic ortho-Quinodimethanes
Journal of the American Chemical Society, 2011, 133, 15212-15218
4108891 CIFC24 H44 In N O10P 32 2 112.9913; 12.9913; 17.3911
90; 90; 120
2541.93Jian 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
4108918 CIFC42.75 H70.13 Lu N13.88 O12.75P 32 2 114.982; 14.982; 38.92
90; 90; 120
7566Janusz Gregoliński; Przemysław Starynowicz; KimNgan T. Hua; Jamie L. Lunkley; Gilles Muller; Jerzy Lisowski
Helical Lanthanide(III) Complexes with Chiral Nonaaza Macrocycle
Journal of the American Chemical Society, 2008, 130, 17761-17773
4109408 CIFC108 H96 Cr2 Fe3 N24P 32 2 124.8535; 24.8535; 20.228
90; 90; 120
10820.8Mikhail Shatruk; Alina Dragulescu-Andrasi; Kristen Chambers; Sebastian A. Stoian; Emile L. Bominaar; Catalina Achim; Kim R. Dunbar
Properties of Prussian Blue Materials Manifested in Molecular Complexes: Observation of Cyanide Linkage Isomerism and Spin-Crossover Behavior in Pentanuclear Cyanide Clusters
Journal of the American Chemical Society, 2007, 129, 6104-6116
4109771 CIFC30 H36 O6P 32 2 114.1676; 14.1676; 10.8602
90; 90; 120
1887.8Arunkumar Natarajan; C. K. Tsai; Saeed I. Khan; Patrick McCarren; K. N. Houk; Miguel A. Garcia-Garibay
The Photoarrangement of α-Santonin is a Single-Crystal-to-Single-Crystal Reaction: A Long Kept Secret in Solid-State Organic Chemistry Revealed
Journal of the American Chemical Society, 2007, 129, 9846-9847
4111325 CIFC20 H20 Cl2 O Zr2P 32 2 17.8384; 7.8384; 27.668
90; 90; 120
1472.19Jared T. Spletstoser; Jonathan M. White; Ashok Rao Tunoori; Gunda I. Georg
Mild and Selective Hydrozirconation of Amides to Aldehydes Using Cp2Zr(H)Cl: Scope and Mechanistic Insight
Journal of the American Chemical Society, 2007, 129, 3408-3419
4111616 CIFC99 H114 N8 O15 P2P 32 2 118.4724; 18.4724; 21.479
90; 90; 120
6347.3Thomas P. Clark; Clark R. Landis; Susan L. Freed; Jerzy Klosin; Khalil A. Abboud
Highly Active, Regioselective, and Enantioselective Hydroformylation with Rh Catalysts Ligated by Bis-3,4-diazaphospholanes
Journal of the American Chemical Society, 2005, 127, 5040-5042
4111892 CIFC158 H138 Cd17 N4 S32P 32 2 119.172; 19.172; 45.758
90; 90; 120
14566Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng
Crystalline Superlattices from Single-Sized Quantum Dots
Journal of the American Chemical Society, 2005, 127, 11963-11965
4112136 CIFC53.33 H55.33 Cl4 Cu2 Fe2 P2 S2P 32 2 117.7079; 17.7079; 15.0264
90; 90; 120
4080.56Olga García Mancheño; Ramón Gómez Arrayás; Juan C. Carretero
Chiral Copper Complexes of Phosphino Sulfenyl Ferrocenes as Efficient Catalysts for Enantioselective Formal Aza Diels-Alder Reactions of N-Sulfonyl Imines
Journal of the American Chemical Society, 2004, 126, 456-457
4112613 CIFC16 H42 Cl2 Co N4 O14P 32 2 18.724; 8.724; 33.476
90; 90; 120
2206.46Hiroyuki Miyake; Kana Yoshida; Hideki Sugimoto; Hiroshi Tsukube
Dynamic Helicity Inversion by Achiral Anion Stimulus in Synthetic Labile Cobalt(II) Complex
Journal of the American Chemical Society, 2004, 126, 6524-6525
4113253 CIFC53 H56 B2 N2 O9P 32 2 119.4347; 19.4347; 30.1815
90; 90; 120
9872.5Jianzhang Zhao; Matthew G. Davidson; Mary F. Mahon; Gabriele Kociok-Köhn; Tony D. James
An Enantioselective Fluorescent Sensor for Sugar Acids
Journal of the American Chemical Society, 2004, 126, 16179-16186
4114550 CIFC25 H37 N3 O6P 32 2 115.0005; 15.0005; 21.8165
90; 90; 120
4251.35Claudio Palomo; Jesus M. Aizpurua; Ana Benito; José Ignacio Miranda; Raluca M. Fratila; Carlos Matute; Maria Domercq; Federico Gago; Sonsoles Martin-Santamaria; Anthony Linden
Development of a New Family of Conformationally Restricted Peptides as Potent Nucleators of β-Turns. Design, Synthesis, Structure, and Biological Evaluation of a β-Lactam Peptide Analogue of Melanostatin
Journal of the American Chemical Society, 2003, 125, 16243-16260
4115591 CIFC45 H66.5 Cu5 La N12.5 O26P 32 2 115.2671; 15.2671; 48.4117
90; 90; 120
9772.24Annabel D. Cutland; Jason A. Halfen; Jeff W. Kampf; Vincent L. Pecoraro
Chiral 15-Metallacrown-5 Complexes Differentially Bind Carboxylate Anions
Journal of the American Chemical Society, 2001, 123, 6211-6212
4117002 CIFC116 H92 Br2 Cl4 O4P 32 2 117.493; 17.493; 26.676
90; 90; 120
7069.4Ling Tong; Douglas M. Ho; Nancy J. Vogelaar; Clarence E. Schutt; Robert A. Pascal
The Albatrossenes: Large, Cleft-Containing, Polyphenyl Polycyclic Aromatic Hydrocarbons
Journal of the American Chemical Society, 1997, 119, 7291-7302
4117850 CIFC12 H14 N O4 ZnP 32 2 121.698; 21.698; 6.869
90; 90; 120
2800.7Thomas M. McDonald; Woo Ram Lee; Jarad A. Mason; Brian M. Wiers; Chang Seop Hong; Jeffrey R. Long
Capture of Carbon Dioxide from Air and Flue Gas in the Alkylamine-Appended Metal-Organic Framework mmen-Mg2(dobpdc)
Journal of the American Chemical Society, 2012, 134, 7056-7065
4118361 CIFC24 H29 O9 PP 32 2 110.583; 10.583; 39.571
90; 90; 120
3838Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich
Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics
Journal of the American Chemical Society, 2012, 134, 12289-12301
4119731 CIFC9 H18 O6P 32 2 19.4244; 9.4244; 22.8217
90; 90; 120
1755.44Koichiro Mikami; Alexander T. Lonnecker; Tiffany P. Gustafson; Nathanael F. Zinnel; Pei-Jing Pai; David H. Russell; Karen L. Wooley
Polycarbonates Derived from Glucose via an Organocatalytic Approach
Journal of the American Chemical Society, 2013, 135, 6826-6829
4121097 CIFC38 H34 F6 N3 O3 P SP 32 2 122.8761; 22.8761; 14.2626
90; 90; 120
6463.88Marta G. Núñez; Alistair J. M. Farley; Darren J. Dixon
Bifunctional Iminophosphorane Organocatalysts for Enantioselective Synthesis: Application to the Ketimine Nitro-Mannich Reaction
Journal of the American Chemical Society, 2013, 135, 16348-16351
4122255 CIFC20 H23 Fe N9 O4P 32 2 114.1554; 14.1554; 9.807
90; 90; 120
1701.8Sanders, Brian C.; Hassan, Sayed M.; Harrop, Todd C.
NO2(-) Activation and Reduction to NO by a Nonheme Fe(NO2)2 Complex.
Journal of the American Chemical Society, 2014, 136, 10230-10233
4125484 CIFC55 H60 O5P 32 2 125.4957; 25.4957; 6.2727
90; 90; 120
3531.2Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh
An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles.
Journal of the American Chemical Society, 2017, 139, 3106-3114
4126285 CIFC20.48 H22.2 N3.24 O9.24 Zn2P 32 2 121.2594; 21.2594; 6.7655
90; 90; 120
2648.1Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R.
Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks.
Journal of the American Chemical Society, 2017
4126286 CIFC27 H38 N4 O8 Zn2P 32 2 121.6857; 21.6857; 6.8891
90; 90; 120
2805.69Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R.
Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks.
Journal of the American Chemical Society, 2017
4126288 CIFC23.89 H33.97 N3.3 O6.8 Zn2P 32 2 121.662; 21.662; 6.8262
90; 90; 120
2774Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R.
Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks.
Journal of the American Chemical Society, 2017
4126401 CIFC21.89 H25.94 N2.85 O7.55 Zn2P 32 2 121.653; 21.653; 6.7873
90; 90; 120
2755.9Milner, Phillip J.; Siegelman, Rebecca L.; Forse, Alexander C.; Gonzalez, Miguel I.; Runčevski, Tomče; Martell, Jeffrey D.; Reimer, Jeffrey A.; Long, Jeffrey R.
A Diaminopropane-Appended Metal‒Organic Framework Enabling Efficient CO2 Capture from Coal Flue Gas via a Mixed Adsorption Mechanism
Journal of the American Chemical Society, 2017
4126641 CIFC28 H34 N4 O10 Zn2P 32 2 120.6012; 20.6012; 6.8939
90; 90; 120
2533.85Martell, Jeffrey D.; Porter-Zasada, Leo B; Forse, Alexander C.; Siegelman, Rebecca L.; Gonzalez, Miguel I.; Oktawiec, Julia; Runcevski, Tomce; Xu, Jiawei; Srebro-Hooper, Monika; Milner, Phillip J.; Colwell, Kristen A.; Autschbach, Jochen; Reimer, Jeffrey A.; Long, Jeffrey R.
Enantioselective Recognition of Ammonium Carbamates in a Chiral Metal-Organic Framework.
Journal of the American Chemical Society, 2017
4128179 CIFC32 H32 Cl F5 N2 O2 Ru SP 32 2 114.9367; 14.9367; 27.3869
90; 90; 120
5291.5Dub, Pavel A.; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito
Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst.
Journal of the American Chemical Society, 2019, 141, 2661-2677
4128303 CIFC22 H27 N2 O8.5P 32 2 19.883; 9.883; 36.809
90; 90; 120
3113.6Thesmar, Pierre; Baudoin, Olivier
Efficient and Divergent Total Synthesis of (-)-Epicoccin G and (-)-Rostratin A Enabled by Double C(sp<sup>3</sup>)-H Activation.
Journal of the American Chemical Society, 2019, 141, 15779-15783
4128517 CIFC20 H30 O4P 32 2 111.2006; 11.2006; 25.1011
90; 90; 120
2727.13Dong, Liao-Bin; Zhang, Xiao; Rudolf, Jeffrey D.; Deng, Ming-Rong; Kalkreuter, Edward; Cepeda, Alexis J.; Renata, Hans; Shen, Ben
Cryptic and Stereospecific Hydroxylation, Oxidation, and Reduction in Platensimycin and Platencin Biosynthesis.
Journal of the American Chemical Society, 2019, 141, 4043-4050
4128684 CIFC182.67 H102 O60 P3 Zr9P 32 2 145.122; 45.122; 49.238
90; 90; 120
86818Gong, Wei; Chen, Xu; Jiang, Hong; Chu, Dandan; Cui, Yong; Liu, Yan
Highly Stable Zr(IV)-Based Metal-Organic Frameworks with Chiral Phosphoric Acids for Catalytic Asymmetric Tandem Reactions.
Journal of the American Chemical Society, 2019, 141, 7498-7508
4129075 CIFC18 H15 N O5P 32 2 111.8237; 11.8237; 19.047
90; 90; 120
2306.03Tanwar, Lalita; Börgel, Jonas; Ritter, Tobias
Synthesis of Benzylic Alcohols by C-H Oxidation.
Journal of the American Chemical Society, 2019, 141, 17983-17988
4129431 CIFC21 H28 O2P 32 2 110.7904; 10.7904; 26.1124
90; 90; 120
2633.01Rajendar, Goreti; Corey, E. J.
A systematic study of functionalized oxiranes as initiating groups for cationic polycyclization reactions.
Journal of the American Chemical Society, 2015, 137, 5837-5844
4131080 CIFC26 H26 F9 N3 O SP 32 2 112.3403; 12.3403; 31.681
90; 90; 120
4178.1Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.
Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.
Journal of the American Chemical Society, 2016, 138, 13525-13528
4131081 CIFC25 H25 F8 N3 O SP 32 2 112.8221; 12.8221; 26.6228
90; 90; 120
3790.55Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.
Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.
Journal of the American Chemical Society, 2016, 138, 13525-13528
4131083 CIFC23 H27 Cl2 N3 O SP 32 2 112.1213; 12.1213; 27.5249
90; 90; 120
3502.31Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.
Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.
Journal of the American Chemical Society, 2016, 138, 13525-13528
4131093 CIFC64 H70 Cl F14 N7 O6 S2P 32 2 114.3464; 14.3464; 28.5097
90; 90; 120
5081.7Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.
Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.
Journal of the American Chemical Society, 2016, 138, 13525-13528
4131507 CIFC6 H14 Br3 N2 RbP 32 2 19.6444; 9.6444; 23.254
90; 90; 120
1873.2Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen
Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).
Journal of the American Chemical Society, 2017, 139, 10897-10902
4135314 CIFC18 H14 Br N O3P 32 2 111.4685; 11.4685; 42.486
90; 90; 120
4839.38Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong
Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis
Journal of the American Chemical Society, 2020
4306693 CIFC21 H15 N3 O6 Tc2P 32 2 110.088; 10.088; 19.817
90; 90; 120
1746.5Maaz Zuhayra; Ulf Lützen; Arne Lützen; Laszlo Papp; Eberhard Henze; Gernot Friedrichs; Franz Oberdorfer
C-H Bond Activation of Coordinated Pyridine: Ortho-Pyridyl-Ditechnetiumhydridocarbonyl Metal Cyclus. Crystal Structure and Dynamic Behavior in Solution
Inorganic Chemistry, 2008, 47, 10177-10182
4311178 CIFC26.5 H25 Ag Cl F6 N8 PP 32 2 112.442; 12.442; 17.6269
90; 90; 120
2363.1Daniel L. Reger; James R. Gardinier; Mark D. Smith
Tuning the Coordination Geometry of Silver in Bis(pyrazolyl)alkane Complexes
Inorganic Chemistry, 2004, 43, 3825-3832
4311717 CIFC53.5 H43 Cl2 N7 Ni O10.5P 32 2 111.6939; 11.6939; 33.013
90; 90; 120
3909.6Shane G. Telfer; Tomohiro Sato; Takunori Harada; Reiko Kuroda; Julie Lefebvre; Daniel B. Leznoff
Mono- and Dinuclear Complexes of Chiral Tri- and Tetradentate Schiff-Base Ligands Derived from 1,1'-Binaphthyl-2,2'-diamine
Inorganic Chemistry, 2004, 43, 6168-6176
4314741 CIFC18 H29 Cl0.5 Co Cr0.5 N6 O8P 32 2 116.0231; 16.0231; 18.52
90; 90; 120
4117.79Yuan-Zhu Zhang; Osamu Sato
A Cyano-Bridged CrIIICoII Ferromagnet with a Chiral Nanotubular Structure Constituted of Interlocked Single and Double Helices
Inorganic Chemistry, 2010, 49, 1271-1273

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