Crystallography Open Database

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1515439 CIFC48 H38 N Ni PP -111.413; 12.0679; 14.4208
98.677; 95.682; 114.432
1758.7Vogt, Matthias; de Bruin, Bas; Berke, Heinz; Trincado, Mónica; Grützmacher, Hansjörg
Amino olefin nickel(i) and nickel(0) complexes as dehydrogenation catalysts for amine boranes
Chemical Science, 2011, 2, 723
1515440 CIFC12 H8 Cl N O2 S2P 1 21/n 113.4561; 7.103; 13.8346
90; 109.73; 90
1244.7Belenguer, Ana M.; Friščić, Tomislav; Day, Graeme M.; Sanders, Jeremy K. M.
Solid-state dynamic combinatorial chemistry: reversibility and thermodynamic product selection in covalent mechanosynthesis
Chemical Science, 2011, 2, 696
1515441 CIFC14 H14 S2P 1 21 17.6164; 5.7256; 14.7508
90; 94.881; 90
640.93Belenguer, Ana M.; Friščić, Tomislav; Day, Graeme M.; Sanders, Jeremy K. M.
Solid-state dynamic combinatorial chemistry: reversibility and thermodynamic product selection in covalent mechanosynthesis
Chemical Science, 2011, 2, 696
1515442 CIFC254 H114 F24 Fe4 N34 O32 S16P 1 21/c 135.2292; 20.7057; 34.2007
90; 104.74; 90
24126.5Hristova, Yana R.; Smulders, Maarten M. J.; Clegg, Jack K.; Breiner, Boris; Nitschke, Jonathan R.
Selective anion binding by a “Chameleon” capsule with a dynamically reconfigurable exterior
Chemical Science, 2011, 2, 638
1515443 CIFC169 H123 F45 Fe4 N36 O31 S10C 1 2 126.876; 38.443; 22.391
90; 94.44; 90
23065Hristova, Yana R.; Smulders, Maarten M. J.; Clegg, Jack K.; Breiner, Boris; Nitschke, Jonathan R.
Selective anion binding by a “Chameleon” capsule with a dynamically reconfigurable exterior
Chemical Science, 2011, 2, 638
1515444 CIFC12 H17 N O2P 1 21/n 112.4376; 6.2473; 14.2135
90; 93.459; 90
1102.4Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.
Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes
Chemical Science, 2011, 2, 633
1515445 CIFC12 H17 N O2P 1 21/c 113.0268; 6.8021; 12.7876
90; 105.286; 90
1093.02Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.
Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes
Chemical Science, 2011, 2, 633
1515446 CIFC12 H17 N O2P 1 21/c 116.985; 5.1183; 12.565
90; 103.577; 90
1061.8Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.
Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes
Chemical Science, 2011, 2, 633
1515447 CIFC18 H31 N O3 SiP 1 21/c 17.3695; 47.261; 11.0525
90; 90.47; 90
3849.3Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.
Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes
Chemical Science, 2011, 2, 633
1515448 CIFC17 H19 N O2P b c a7.7628; 11.1348; 32.262
90; 90; 90
2788.6Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.
Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes
Chemical Science, 2011, 2, 633
1515449 CIFC18 H21 N O2P c a 2111.93; 8.5702; 30.278
90; 90; 90
3095.7Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.
Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes
Chemical Science, 2011, 2, 633
1515450 CIFC24 H25 N O2P 21 21 218.2299; 9.6964; 23.9162
90; 90; 90
1908.52Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.
Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes
Chemical Science, 2011, 2, 633
1515451 CIFC24 H25 N O2P 21 21 218.2075; 9.8258; 24.0803
90; 90; 90
1941.96Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.
Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes
Chemical Science, 2011, 2, 633
1515452 CIFC30 H20 Br2 Cu N4 O4 S2P 1 21/n 117.027; 9.5242; 18.442
90; 104.05; 90
2901.2Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris
N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy
Chemical Science, 2011, 2, 642
1515453 CIFC15 H20 N2 O3P -17.5438; 9.0878; 11.3719
85.485; 78.375; 69.76
716.44Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris
N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy
Chemical Science, 2011, 2, 642
1515454 CIFC12.5 H15 N2 O3P 1 21/n 112.965; 14.378; 12.9795
90; 90.445; 90
2419.4Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris
N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy
Chemical Science, 2011, 2, 642
1515455 CIFC30 H32 Cl6 Cu N4 O4P 1 21/c 112.997; 15.328; 9.0063
90; 110.181; 90
1684.1Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris
N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy
Chemical Science, 2011, 2, 642
1515456 CIFC14 H14 N2 O3 SP -111.368; 11.457; 12.809
67.679; 76.787; 74.165
1470Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris
N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy
Chemical Science, 2011, 2, 642
1515457 CIFC13 H16 N2 O3P 1 21 18.2835; 13.979; 10.5581
90; 90.255; 90
1222.56Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris
N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy
Chemical Science, 2011, 2, 642
1515458 CIFC13 H10 N2 O2 SP 1 21/c 110.3006; 7.8737; 13.7999
90; 93.837; 90
1116.7Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris
N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy
Chemical Science, 2011, 2, 642
1515459 CIFC28 H34 Cu N4 O6 S2P 1 21/c 17.7458; 16.433; 12.0999
90; 103.182; 90
1499.6Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris
N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy
Chemical Science, 2011, 2, 642
1515460 CIFC26 H30 N2 O4P -14.8231; 8.3044; 14.264
96.566; 97.473; 92.996
561.44Iengo, Elisabetta; Pantoş, G. Dan; Sanders, Jeremy K. M.; Orlandi, Michele; Chiorboli, Claudio; Fracasso, Sandro; Scandola, Franco
A fully self-assembled non-symmetric triad for photoinduced charge separation
Chemical Science, 2011, 2, 676
1515461 CIFC27 H31 F6 N4 P PtP 1 21/n 113.381; 14.391; 16.034
90; 111.16; 90
2879.4Wai-Yin Sun, Raymond; Lok-Fung Chow, Andy; Li, Xiao-Hua; Yan, Jessie Jing; Sin-Yin Chui, Stephen; Che, Chi-Ming
Luminescent cyclometalated platinum(ii) complexes containing N-heterocyclic carbene ligands with potent in vitro and in vivo anti-cancer properties accumulate in cytoplasmic structures of cancer cells
Chemical Science, 2011, 2, 728
1515462 CIFC23 H23 I3 N4 PtP -18.652; 11.015; 14.031
90.68; 98.09; 90.57
1323.7Wai-Yin Sun, Raymond; Lok-Fung Chow, Andy; Li, Xiao-Hua; Yan, Jessie Jing; Sin-Yin Chui, Stephen; Che, Chi-Ming
Luminescent cyclometalated platinum(ii) complexes containing N-heterocyclic carbene ligands with potent in vitro and in vivo anti-cancer properties accumulate in cytoplasmic structures of cancer cells
Chemical Science, 2011, 2, 728
1515463 CIFC47 H46 F12 N8 P2 Pt2P b c a18.526; 22.046; 23.559
90; 90; 90
9622Wai-Yin Sun, Raymond; Lok-Fung Chow, Andy; Li, Xiao-Hua; Yan, Jessie Jing; Sin-Yin Chui, Stephen; Che, Chi-Ming
Luminescent cyclometalated platinum(ii) complexes containing N-heterocyclic carbene ligands with potent in vitro and in vivo anti-cancer properties accumulate in cytoplasmic structures of cancer cells
Chemical Science, 2011, 2, 728
1515464 CIFC42 H28I 1 2/a 116.7865; 9.2933; 36.414
90; 91.02; 90
5679.8Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong
Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity
Chemical Science, 2011, 2, 672
1515465 CIFC40 H28P -19.485; 9.683; 15.5796
79.592; 83.901; 85.662
1397Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong
Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity
Chemical Science, 2011, 2, 672
1515466 CIFC40 H28P 1 21/c 117.2911; 9.0613; 18.1015
90; 94.72; 90
2826.5Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong
Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity
Chemical Science, 2011, 2, 672
1515467 CIFC36 H26P 1 21/n 19.1633; 28.882; 19.778
90; 101.303; 90
5132.8Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong
Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity
Chemical Science, 2011, 2, 672
1515468 CIFC38 H27 NP -19.4375; 9.5683; 15.5001
83.076; 81.063; 85.554
1370.13Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong
Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity
Chemical Science, 2011, 2, 672
1515469 CIFC35 H25 NP -19.3196; 9.3671; 14.8298
88.746; 86.17; 75.274
1249.27Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong
Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity
Chemical Science, 2011, 2, 672
1515470 CIFC77.5 H86 Cl10.2 S10P -111.0629; 13.661; 15.0564
93.282; 107.469; 106.87
2050.98Zhang, Fan; Götz, Günther; Mena-Osteritz, Elena; Weil, Matthias; Sarkar, Biprajit; Kaim, Wolfgang; Bäuerle, Peter
Molecular and electronic structure of cyclo[10]thiophene in various oxidation states: polaron pair vs. bipolaron
Chemical Science, 2011, 2, 781
1515471 CIFC468 H298 Cl8 N16 Ni4 S4C 1 2/c 125.617; 71.86; 26.909
90; 92.466; 90
49489Song, Jianxin; Aratani, Naoki; Shinokubo, Hiroshi; Osuka, Atsuhiro
A β-to-β 2,5-thienylene-bridged cyclic porphyrin tetramer: its rational synthesis and 1 : 2 binding mode with C60
Chemical Science, 2011, 2, 748
1515472 CIFC264 H288 N16 S4 Zn4I -4 2 d41.392; 41.392; 22.518
90; 90; 90
38580Song, Jianxin; Aratani, Naoki; Shinokubo, Hiroshi; Osuka, Atsuhiro
A β-to-β 2,5-thienylene-bridged cyclic porphyrin tetramer: its rational synthesis and 1 : 2 binding mode with C60
Chemical Science, 2011, 2, 748
1515473 CIFC18 H21 N3 O2 SP 1 21 17.7381; 7.317; 14.5532
90; 91.323; 90
823.78Albrecht, Łukasz; Albrecht, Anna; Ransborg, Lars Krogager; Jørgensen, Karl Anker
Asymmetric organocatalytic [3 + 2]-annulation strategy for the synthesis of N-fused heteroaromatic compounds
Chemical Science, 2011, 2, 1273
1515474 CIFC19 H17 Br N2 O2P 21 21 217.8404; 10.9935; 20.087
90; 90; 90
1731.4Yin, Qin; You, Shu-Li
Chiral phosphoric acid-catalysed Friedel–Crafts alkylation reaction of indoles with racemic spiro indolin-3-ones
Chemical Science, 2011, 2, 1344
1515475 CIFC22 H28 Hf PP 1 21/c 18.4351; 28.233; 8.7547
90; 107.59; 90
1987.4Waterman, Rory; Tilley, T. Don
Terminal hafnium phosphinidene complexes and phosphinidene ligand exchange
Chemical Science, 2011, 2, 1320
1515476 CIFC34 H69 P5 Pt2P b c a11.699; 15.37; 45.229
90; 90; 90
8133Waterman, Rory; Tilley, T. Don
Terminal hafnium phosphinidene complexes and phosphinidene ligand exchange
Chemical Science, 2011, 2, 1320
1515477 CIFC30 H25 Cl N2 O4 SP 1 21/n 111.8193; 11.4475; 19.9444
90; 97.77; 90
2673.7Campbell, Matthew J.; Toste, F. Dean
Enantioselective synthesis of cyclic carbamimidates via a three-component reaction of imines, terminal alkynes, and p-toluenesulfonylisocyanate using a monophosphine gold(I) catalyst().
Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 1369-1378
1515478 CIFC120 H196 Dy6 Mn12 N8 O93F d d d :222.6849; 37.2467; 45.91
90; 90; 90
38791Liu, Jun-Liang; Guo, Fu-Sheng; Meng, Zhao-Sha; Zheng, Yan-Zhen; Leng, Ji-Dong; Tong, Ming-Liang; Ungur, Liviu; Chibotaru, Liviu F.; Heroux, Katie J.; Hendrickson, David N.
Symmetry related [DyIII6MnIII12] cores with different magnetic anisotropies
Chemical Science, 2011, 2, 1268
1515479 CIFC130 H212 Dy6 Mn12 N8 O99P -119.7904; 21.4477; 26.7375
95.344; 97.864; 115.293
10017.8Liu, Jun-Liang; Guo, Fu-Sheng; Meng, Zhao-Sha; Zheng, Yan-Zhen; Leng, Ji-Dong; Tong, Ming-Liang; Ungur, Liviu; Chibotaru, Liviu F.; Heroux, Katie J.; Hendrickson, David N.
Symmetry related [DyIII6MnIII12] cores with different magnetic anisotropies
Chemical Science, 2011, 2, 1268
1515480 CIFC132 H198 Mn12 N8 O90 Y6P -119.8997; 21.3603; 26.7219
95.001; 97.626; 115.09
10064.7Liu, Jun-Liang; Guo, Fu-Sheng; Meng, Zhao-Sha; Zheng, Yan-Zhen; Leng, Ji-Dong; Tong, Ming-Liang; Ungur, Liviu; Chibotaru, Liviu F.; Heroux, Katie J.; Hendrickson, David N.
Symmetry related [DyIII6MnIII12] cores with different magnetic anisotropies
Chemical Science, 2011, 2, 1268
1515481 CIFC29 H36 N8 O2P 1 21 116.022; 10.006; 17.448
90; 95.44; 90
2784.6Fuentes, José A.; Lebl, Tomas; Slawin, Alexandra M. Z.; Clarke, Matthew L.
Synthesis of organocatalysts using non-covalent chemistry; understanding the reactivity of ProNap, an enamine-type organocatalyst that can self assemble with complementary co-catalysts
Chemical Science, 2011, 2, 1997
1515482 CIFC34 H38 Co2 Mo O2 S4P 1 21/n 115.45; 11.362; 19.951
90; 106.933; 90
3350Muratsugu, Satoshi; Sodeyama, Keitaro; Kitamura, Fusao; Tsukada, Satoru; Tada, Mizuki; Tsuneyuki, Shinji; Nishihara, Hiroshi
Normal and inverted redox potentials and structural changes tuned by medium effects in [M2Mo(η5-C5Me5)2(S2C6H4)2(CO)2] (M: Co, Rh)
Chemical Science, 2011, 2, 1960
1515483 CIFC30 H22P 1 21/c 18.5511; 7.0723; 16.9235
90; 93.189; 90
1021.88Luo, Jiye; Song, Kesheng; Gu, Feng long; Miao, Qian
Switching of non-helical overcrowded tetrabenzoheptafulvalene derivatives
Chemical Science, 2011, 2, 2029
1515484 CIFC38 H24P 1 21/c 110.0613; 15.6693; 17.3989
90; 105.143; 90
2647.8Luo, Jiye; Song, Kesheng; Gu, Feng long; Miao, Qian
Switching of non-helical overcrowded tetrabenzoheptafulvalene derivatives
Chemical Science, 2011, 2, 2029
1515485 CIFC3 H3 Mn3 O9P 1 21/n 110.9072; 5.7181; 12.633
90; 108.259; 90
748.23Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.
Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2
Chemical Science, 2011, 2, 1929
1515486 CIFC2 H3 Mn O3P 1 21/a 15.8745; 7.4316; 7.9227
90; 92.414; 90
345.57Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.
Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2
Chemical Science, 2011, 2, 1929
1515487 CIFC6 H10 Mn2 O6P 1 21/a 18.1023; 9.3777; 12.5161
90; 103.948; 90
922.95Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.
Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2
Chemical Science, 2011, 2, 1929
1515488 CIFC7 H12 Mn2 O6P 1 21/a 18.1123; 9.3629; 13.462
90; 94.88; 90
1018.8Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.
Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2
Chemical Science, 2011, 2, 1929

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