Crystallography Open Database

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1514281 CIFC27 H44 Cl2 N O4 P2 ReP 1 21/c 113.2321; 15.7048; 16.7382
90; 114.833; 90
3156.7Vogt, Matthias; Nerush, Alexander; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David
Reversible CO2 binding triggered by metal‒ligand cooperation in a rhenium(i) PNP pincer-type complex and the reaction with dihydrogen
Chemical Science, 2014, 5, 2043
1514282 CIFC37 H27 N O3 PtP -17.554; 17.939; 21.6527
66.669; 87.131; 86.992
2689.18Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne
Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 1915-1927
1514283 CIFC32 H21 N OP 1 21/a 18.5103; 30.003; 9.119
90; 112.41; 90
2152.6Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne
Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 1915-1927
1514284 CIFC41 H31 Cl4 N O2 Pt SP 21 21 2113.2528; 14.7365; 18.3823
90; 90; 90
3590.06Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne
Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 1915-1927
1514285 CIFC40 H30 Cl N O2 Pt SP 1 21 17.7976; 13.3596; 15.247
90; 93.639; 90
1585.12Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne
Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 1915-1927
1514286 CIFC20 H14 N2P 1 21 17.5661; 12.3042; 7.9592
90; 105.511; 90
713.97Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne
Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 1915-1927
1514287 CIFC37 H33 Cl5 N2 O2 Pt2 S2P 21 21 2117.2805; 17.2812; 12.5128
90; 90; 90
3736.67Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne
Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 1915-1927
1514288 CIFC30 H26 N2 O4 Pt2C 1 2/c 111.8533; 9.9205; 22.5187
90; 103.333; 90
2576.62Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne
Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 1915-1927
1514289 CIFC49 H78 F15 N8 O26 Re S5P 1 21/c 112.949; 17.658; 32.897
90; 90.081; 90
7522Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Alberto, Roger; Braband, Henrik
Fluorescent sensing of 99Tc pertechnetate in water
Chemical Science, 2014, 5, 1820
1514290 CIFC49 H78 F15 N8 O26 S5 TcP 1 21/c 113.0099; 17.557; 32.9333
90; 89.226; 90
7521.8Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Alberto, Roger; Braband, Henrik
Fluorescent sensing of 99Tc pertechnetate in water
Chemical Science, 2014, 5, 1820
1514291 CIFC11 H10 F2 O2P -14.865; 7.057; 15.151
88.73; 84.04; 82.71
513.15Lu, Wei; Gao, Juan; Yang, Jing-Kui; Liu, Lei; Zhao, Yuliang; Wu, Hai-Chen
Regioselective alkyl transfer from phosphonium ylides to functionalized polyfluoroarenes
Chemical Science, 2014, 5, 1934
1514292 CIFC20 H19 Cl N2 O4P 1 21 111.1925; 8.1206; 21.465
90; 101.402; 90
1912.4Xu, Biao; Shi, Li-Li; Zhang, Yu-Zu; Wu, Zhi-Jun; Fu, Li-Na; Luo, Chun-Qin; Zhang, Lan-Xi; Peng, Yun-Gui; Guo, Qi-Xiang
Catalytic asymmetric direct α-alkylation of amino esters by aldehydes via imine activation
Chemical Science, 2014, 5, 1988
1514293 CIFC66 H62 Al Co N2 O8P 21 21 2111.5495; 21.268; 28.17
90; 90; 90
6919.5Mulzer, Michael; Ellis, W. Chadwick; Lobkovsky, Emil B.; Coates, Geoffrey W.
Enantioenriched β-lactone and aldol-type products from regiodivergent carbonylation of racemic cis-epoxides
Chemical Science, 2014, 5, 1928
1514294 CIFC19 H22 F3 N O2 SP 1 21 15.7359; 17.005; 9.7453
90; 102.621; 90
927.58Buesking, Andrew W.; Ellman, Jonathan A.
Convergent, asymmetric synthesis of vicinal amino alcohols via Rh-catalyzed addition of α-amido trifluoroborates to carbonyls
Chemical Science, 2014, 5, 1983
1514295 CIFC37 H30 F3 N3 O3 Pt SP b c a14.0939; 19.1285; 26.663
90; 90; 90
7188.2Juliá, Fabio; Bautista, Delia; Fernández-Hernández, Jesús M.; González-Herrero, Pablo
Homoleptic tris-cyclometalated platinum(iv) complexes: a new class of long-lived, highly efficient 3LC emitters
Chemical Science, 2014, 5, 1875
1514296 CIFC35 H20 Cl2 F9 N3 O3 Pt SP -110.3618; 12.3271; 14.6981
81.352; 88.049; 80.752
1831.8Juliá, Fabio; Bautista, Delia; Fernández-Hernández, Jesús M.; González-Herrero, Pablo
Homoleptic tris-cyclometalated platinum(iv) complexes: a new class of long-lived, highly efficient 3LC emitters
Chemical Science, 2014, 5, 1875
1514297 CIFC25 H21 Br N2 O3P 1 21 19.7989; 9.7523; 22.829
90; 90.326; 90
2181.5Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko
Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel–Crafts reaction of indoles with β,β-disubstituted nitroalkenes
Chemical Science, 2014, 5, 1799
1514298 CIFC11 H8 F3 N O4P 1 21/n 114.395; 10.661; 15.136
90; 95.588; 90
2311.8Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko
Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel–Crafts reaction of indoles with β,β-disubstituted nitroalkenes
Chemical Science, 2014, 5, 1799
1514299 CIFC25 H22 N2 O2P -4 21 c21.2628; 21.2628; 9.0321
90; 90; 90
4083.5Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko
Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel‒Crafts reaction of indoles with β,β-disubstituted nitroalkenes
Chemical Science, 2014, 5, 1799
1514300 CIFC21 H20 Br N O4P 1 21 110.3326; 6.3617; 14.1521
90; 96.731; 90
923.85Stiller, Julian; Poulsen, Pernille H.; Cruz, David Cruz; Dourado, Jorge; Davis, Rebecca L.; Jørgensen, Karl Anker
Organocatalytic [4+2] addition reactions via tetraenamine intermediate
Chemical Science, 2014, 5, 2052
1514301 CIFC30 H22 N10 O2.88P 1 21/n 14.188; 21.206; 30.008
90; 91.247; 90
2664Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.
‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages
Chemical Science, 2014, 5, 1833
1514302 CIFC33 H23 Cl3 Fe N6P -111.4645; 16.4498; 16.6038
105.696; 102.138; 95.838
2904.99Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.
‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages
Chemical Science, 2014, 5, 1833
1514303 CIFC62 H37 Cl2 N15 O6 Re2C 1 2/c 140; 7.73; 19.823
90; 97.713; 90
6074Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.
‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages
Chemical Science, 2014, 5, 1833
1514304 CIFC28 H18 Ag F6 N6 SbP -111.1876; 12.2069; 12.521
112.398; 100.82; 90.607
1546.5Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.
‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages
Chemical Science, 2014, 5, 1833
1514305 CIFC64 H52.5 B0 Cl F0 Fe2 N13 O2.75 Pd Pt0.5P -114.809; 21.668; 24.158
105.56; 94.22; 90.62
7444Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.
‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages
Chemical Science, 2014, 5, 1833
1514306 CIFC15 H15 Br O4P 21 21 215.3717; 18.0674; 29.3071
90; 90; 90
2844.3Johnston, Ryne C.; Cohen, Daniel T.; Eichman, Chad C.; Scheidt, Karl A.; Cheong, Paul Ha-Yeon
Catalytic Kinetic Resolution of a Dynamic Racemate: Highly Stereoselective β-Lactone Formation by N-Heterocyclic Carbene Catalysis.
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 1974-1982
1514307 CIFC15 H15 Br O4P 21 21 215.4193; 9.4004; 28.084
90; 90; 90
1430.7Johnston, Ryne C.; Cohen, Daniel T.; Eichman, Chad C.; Scheidt, Karl A.; Cheong, Paul Ha-Yeon
Catalytic Kinetic Resolution of a Dynamic Racemate: Highly Stereoselective β-Lactone Formation by N-Heterocyclic Carbene Catalysis.
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 1974-1982
1514308 CIFC50.5 H87 Cl2 Co2 N2 P4C 1 2/c 129.522; 11.3531; 16.459
90; 102.536; 90
5385Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.
Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex
Chemical Science, 2014, 5, 1956
1514309 CIFC20 H38 Co I N P2P 1 21/c 115.6128; 9.7824; 16.1191
90; 106.659; 90
2358.55Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.
Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex
Chemical Science, 2014, 5, 1956
1514310 CIFC37 H49 Co N P2P -110.4893; 11.4272; 16.7767
75.494; 74.128; 64.032
1718.98Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.
Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex
Chemical Science, 2014, 5, 1956
1514311 CIFC22 H45 Co N P3P 1 21/c 113.885; 11.36; 16.179
90; 94.627; 90
2543.7Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.
Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex
Chemical Science, 2014, 5, 1956
1514312 CIFC25 H51 Co N P3P -110.0117; 10.3818; 15.817
95.298; 96.632; 116.746
1438.9Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.
Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex
Chemical Science, 2014, 5, 1956
1514313 CIFC19 H38 Co N P2C 1 2/c 119.236; 9.591; 11.786
90; 100.635; 90
2137.1Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.
Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex
Chemical Science, 2014, 5, 1956
1514314 CIFC24 H17 O2 SbP 1 21/c 19.8268; 14.9773; 13.5372
90; 111.255; 90
1856.9Hirai, Masato; Gabbaï, François P.
Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations
Chemical Science, 2014, 5, 1886
1514315 CIFC30 H31 Cl4 F N3 O2 S SbP 1 21/c 110.0011; 21.4018; 16.9437
90; 122.404; 90
3062Hirai, Masato; Gabbaï, François P.
Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations
Chemical Science, 2014, 5, 1886
1514316 CIFC38 H37 F N3 O4 S SbP 21 21 2114.7131; 16.7493; 27.433
90; 90; 90
6760.4Hirai, Masato; Gabbaï, François P.
Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations
Chemical Science, 2014, 5, 1886
1514317 CIFC32 H42 N2 O6 S2P -114.942; 17.41; 20.949
68.999; 69.324; 75.701
4714.5Turnpenny, Benjamin W.; Chemler, Sherry R.
Copper-Catalyzed Alkene Diamination: Synthesis of Chiral 2-Aminomethyl Indolines and Pyrrolidines.
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 1786-1793
1514318 CIFC22 H24 Mo N2 O4P b c a17.9132; 11.6738; 21.3034
90; 90; 90
4454.9Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.
Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts
Chemical Science, 2014, 5, 1894
1514319 CIFC49 H80 K2 N2 O16 WP n m a29.9821; 15.8708; 11.837
90; 90; 90
5632.5Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.
Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts
Chemical Science, 2014, 5, 1894
1514320 CIFC22 H24 N2 O4 WP b c a17.8251; 11.6986; 21.3193
90; 90; 90
4445.7Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.
Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts
Chemical Science, 2014, 5, 1894
1514321 CIFC30 H40 K N2 O11 WP 1 21/c 112.213; 18.7469; 15.488
90; 107.674; 90
3378.69Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.
Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts
Chemical Science, 2014, 5, 1894
1514322 CIFC6 H8 Co O4P 1 2/c 116.1473; 4.7928; 9.2488
90; 90.212; 90
715.77Saines, Paul J.; Barton, Phillip T.; Jura, Marek; Knight, Kevin S.; Cheetham, Anthony K.
Cobalt adipate, Co(C6H8O4): antiferromagnetic structure, unusual thermal expansion and magnetoelastic coupling
Materials Horizons, 2014, 1, 332
1514323 CIFC5 H9 N5P n m a14.356; 6.3845; 7.889
90; 90; 90
723.1McCrary, Parker D.; Chatel, Gregory; Alaniz, Spencer A.; Cojocaru, O. Andreea; Beasley, Preston A.; Flores, Luis A.; Kelley, Steven P.; Barber, Patrick S.; Rogers, Robin D.
Evaluating Ionic Liquids as Hypergolic Fuels: Exploring Reactivity from Molecular Structure
Energy & Fuels, 2014, 28, 3460
1514324 CIFC6 H9 N5 O2P -17.268; 7.3848; 9.2509
88.28; 74.55; 64.429
429.64McCrary, Parker D.; Chatel, Gregory; Alaniz, Spencer A.; Cojocaru, O. Andreea; Beasley, Preston A.; Flores, Luis A.; Kelley, Steven P.; Barber, Patrick S.; Rogers, Robin D.
Evaluating Ionic Liquids as Hypergolic Fuels: Exploring Reactivity from Molecular Structure
Energy & Fuels, 2014, 28, 3460
1514325 CIFC3 H7 N7P 1 21/n 15.668; 20.59; 6.402
90; 114.27; 90
681McCrary, Parker D.; Chatel, Gregory; Alaniz, Spencer A.; Cojocaru, O. Andreea; Beasley, Preston A.; Flores, Luis A.; Kelley, Steven P.; Barber, Patrick S.; Rogers, Robin D.
Evaluating Ionic Liquids as Hypergolic Fuels: Exploring Reactivity from Molecular Structure
Energy & Fuels, 2014, 28, 3460
1514326 CIFC8 H9 N5 O2P -17.243; 8.2646; 9.8487
68.198; 70.224; 66.763
490.1McCrary, Parker D.; Chatel, Gregory; Alaniz, Spencer A.; Cojocaru, O. Andreea; Beasley, Preston A.; Flores, Luis A.; Kelley, Steven P.; Barber, Patrick S.; Rogers, Robin D.
Evaluating Ionic Liquids as Hypergolic Fuels: Exploring Reactivity from Molecular Structure
Energy & Fuels, 2014, 28, 3460
1514327 CIFC3 H7 I N4C 1 2/c 129.767; 7.814; 19.687
90; 111.016; 90
4275McCrary, Parker D.; Chatel, Gregory; Alaniz, Spencer A.; Cojocaru, O. Andreea; Beasley, Preston A.; Flores, Luis A.; Kelley, Steven P.; Barber, Patrick S.; Rogers, Robin D.
Evaluating Ionic Liquids as Hypergolic Fuels: Exploring Reactivity from Molecular Structure
Energy & Fuels, 2014, 28, 3460
1514328 CIFC30 H24 B Br F2 I N2 S2P 1 21/n 18.1859; 27.8367; 12.9701
90; 92.636; 90
2952.3Heyer, Elodie; Retailleau, Pascal; Ziessel, Raymond
α-Fused Dithienyl BODIPYs Synthesized by Oxidative Ring Closure.
Organic letters, 2014, 16, 2330-2333
1514329 CIFC15 H16 Cl2 O Pd S2P b c a8.117; 20.123; 20.541
90; 90; 90
3355Joshi, Hemant; Sharma, Kamal Nayan; Sharma, Alpesh K; Singh, Ajai Kumar
Palladium-phosphorus/sulfur nanoparticles (NPs) decorated on graphene oxide: synthesis using the same precursor for NPs and catalytic applications in Suzuki-Miyaura coupling.
Nanoscale, 2014, 6, 4588-4597
1514330 CIFC33 H30 N2 O2P 1 21/n 114.11; 11.504; 17.793
90; 111.155; 90
2693.5Wang, Lianke; Shen, Yanfang; Zhu, Qiuju; Xu, Weinan; Yang, Mingdi; Zhou, Hongping; Wu, Jieying; Tian, Yupeng
Systematic Study and Imaging Application of Aggregation-Induced Emission of Ester-Isophorone Derivatives
The Journal of Physical Chemistry C, 2014, 118, 8531

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