Crystallography Open Database

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1548940 CIFC22 H23 N O2 SiP 21 21 219.4164; 11.6775; 17.207
90; 90; 90
1892.08Rodriguez, Kevin X.; Pilato, Tara C.; Ashfeld, Brandon L.
An unusual stereoretentive 1,3-quaternary carbon shift resulting in an enantioselective Rh<sup>II</sup>-catalyzed formal [4+1]-cycloaddition between diazo compounds and vinyl ketenes.
Chemical science, 2018, 9, 3221-3226
1548941 CIFC69.17 H38.35 B Cl2.35 F28 I N Na0 O P2 RhP -112.9788; 15.9249; 18.4205
77.6077; 73.186; 88.345
3557.34Carreras, Lucas; Serrano-Torné, Marta; van Leeuwen, Piet W. N. M.; Vidal-Ferran, Anton
<b>XBphos-Rh</b>: a halogen-bond assembled supramolecular catalyst.
Chemical science, 2018, 9, 3644-3648
1548942 CIFC70.5 H46 B F24 I N O P2 RhP -112.9235; 15.961; 18.3296
79.049; 71.52; 88.475
3518.3Carreras, Lucas; Serrano-Torné, Marta; van Leeuwen, Piet W. N. M.; Vidal-Ferran, Anton
<b>XBphos-Rh</b>: a halogen-bond assembled supramolecular catalyst.
Chemical science, 2018, 9, 3644-3648
1548943 CIFC18 H22 N2 O3 SP 1 21/c 117.417; 7.3299; 13.5997
90; 95.37; 90
1728.58Giri, Sovan Sundar; Liu, Rai-Shung
Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.
Chemical science, 2018, 9, 2991-2995
1548944 CIFC28 H26 N2 O3 SP 1 21/c 113.9904; 8.4064; 21.36
90; 104.491; 90
2432.21Giri, Sovan Sundar; Liu, Rai-Shung
Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.
Chemical science, 2018, 9, 2991-2995
1548945 CIFC18 H22 N2 O3 SP 1 21/c 112.3308; 16.1714; 8.8646
90; 94.241; 90
1762.8Giri, Sovan Sundar; Liu, Rai-Shung
Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.
Chemical science, 2018, 9, 2991-2995
1548946 CIFC21 H26 N2 O3 SP 1 21/n 19.0836; 21.4854; 9.9912
90; 92.112; 90
1948.61Giri, Sovan Sundar; Liu, Rai-Shung
Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.
Chemical science, 2018, 9, 2991-2995
1548947 CIFC24 H26 N2 O3 SP 1 21/c 19.8261; 13.6201; 16.2063
90; 96.868; 90
2153.37Giri, Sovan Sundar; Liu, Rai-Shung
Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.
Chemical science, 2018, 9, 2991-2995
1548948 CIFC16 H18 N2 O3 SC 1 2/c 110.99; 9.6096; 29.66
90; 94.047; 90
3124.6Giri, Sovan Sundar; Liu, Rai-Shung
Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.
Chemical science, 2018, 9, 2991-2995
1548949 CIFC12 H12 F4 OP 21 21 216.0422; 11.778; 15.448
90; 90; 90
1099.4Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David
Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.
Chemical science, 2018, 9, 3023-3028
1548950 CIFC12 H14 F2 OP 21 21 215.25889; 9.75241; 20.4698
90; 90; 90
1049.83Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David
Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.
Chemical science, 2018, 9, 3023-3028
1548951 CIFC12 H14 F2 OP 1 21/a 113.5173; 5.57303; 27.4909
90; 90.469; 90
2070.88Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David
Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.
Chemical science, 2018, 9, 3023-3028
1548952 CIFC12 H14 F2 OP 1 21/c 110.536; 19.983; 10.272
90; 107.972; 90
2057.2Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David
Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.
Chemical science, 2018, 9, 3023-3028
1548953 CIFC12 H15 F OP 21 21 215.33024; 9.6528; 20.0332
90; 90; 90
1030.74Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David
Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.
Chemical science, 2018, 9, 3023-3028
1548954 CIFC31 H34 O4 SP 6121.247; 21.247; 11.2694
90; 90; 120
4405.8Zhao, Jian; Jonker, Sybrand J. T.; Meyer, Denise N.; Schulz, Göran; Tran, C. Duc; Eriksson, Lars; Szabó, Kálmán J
Copper-catalyzed synthesis of allenylboronic acids. Access to sterically encumbered homopropargylic alcohols and amines by propargylboration.
Chemical science, 2018, 9, 3305-3312
1548967 CIFC57 H76 Cl3 P2 PtP 1 21/n 118.7426; 13.6265; 22.2266
90; 92.9084; 90
5669.3Miyagi, Yu; Sotani, Taichi; Yajima, Tatsuo; Sano, Natsuhiro; Sanda, Fumio
Effect of phosphine ligand on the optical absorption/emission properties of platinum-containing conjugated polymers
Polymer Chemistry, 2018, 9, 1772
1548968 CIFC62 H54 N2 O2 P2 PtP -19.5747; 10.0025; 14.5919
75.3868; 73.7957; 81.3096
1293.65Miyagi, Yu; Sotani, Taichi; Yajima, Tatsuo; Sano, Natsuhiro; Sanda, Fumio
Effect of phosphine ligand on the optical absorption/emission properties of platinum-containing conjugated polymers
Polymer Chemistry, 2018, 9, 1772
1548969 CIFC31 H27 N3 O3P -17.6914; 8.8535; 18.0798
91.235; 97.803; 92.431
1218.2Xiong, Yaoyao; Vargas Jentzsch, Andreas; Osterrieth, Johannes W. M.; Sezgin, Erdinc; Sazanovich, Igor V.; Reglinski, Katharina; Galiani, Silvia; Parker, Anthony W.; Eggeling, Christian; Anderson, Harry L.
Spironaphthoxazine switchable dyes for biological imaging.
Chemical science, 2018, 9, 3029-3040
1548970 CIFC308 H374 N23 O12 P3P -121.138; 21.616; 21.948
118.123; 106.659; 99.169
7942Fatila, Elisabeth M.; Pink, Maren; Twum, Eric B.; Karty, Jonathan A.; Flood, Amar H.
Phosphate-phosphate oligomerization drives higher order co-assemblies with stacks of cyanostar macrocycles.
Chemical science, 2018, 9, 2863-2872
1548971 CIFC365.84 H508.52 Cl14.16 N26 O29.28 P7P -119.692; 22.3708; 25.201
97.908; 108.437; 113.456
9208.2Fatila, Elisabeth M.; Pink, Maren; Twum, Eric B.; Karty, Jonathan A.; Flood, Amar H.
Phosphate-phosphate oligomerization drives higher order co-assemblies with stacks of cyanostar macrocycles.
Chemical science, 2018, 9, 2863-2872
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
1548976 CIFC58.5 H43.5 F6 N6.5 O2.5 ZnP 1 21/n 110.7604; 51.619; 18.6745
90; 98.394; 90
10261.5Nichols, Eva M.; Derrick, Jeffrey S.; Nistanaki, Sepand K.; Smith, Peter T.; Chang, Christopher J.
Positional effects of second-sphere amide pendants on electrochemical CO<sub>2</sub> reduction catalyzed by iron porphyrins.
Chemical science, 2018, 9, 2952-2960
1548977 CIFC9.4 H4 D5.61 O5 VI 41 2 215.1723; 15.1723; 12.0747
90; 90; 90
2779.58Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin
Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.
Chemical science, 2018, 9, 3401-3408
1548978 CIFC10.63 H4 D8.95 O5 VI 41 2 215.1668; 15.1668; 12.0716
90; 90; 90
2776.85Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin
Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.
Chemical science, 2018, 9, 3401-3408
1548979 CIFC9.01 H4 D4.06 O5 VI 41 2 215.16316; 15.16316; 12.0746
90; 90; 90
2776.21Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin
Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.
Chemical science, 2018, 9, 3401-3408
1548980 CIFC10 H4 D2 O5 VI 41 2 215.1613; 15.1613; 12.0687
90; 90; 90
2774.17Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin
Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.
Chemical science, 2018, 9, 3401-3408
1548981 CIFC10.14 H4 D4.28 O5 VI 41 2 215.1594; 15.1594; 12.071
90; 90; 90
2774.01Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin
Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.
Chemical science, 2018, 9, 3401-3408
1548982 CIFC10.07 H4 D6.2 O5 VI 41 2 215.1661; 15.1661; 12.0725
90; 90; 90
2776.8Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin
Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.
Chemical science, 2018, 9, 3401-3408
1548983 CIFC11.56 H4 D3.56 O5 VI 41 2 215.1457; 15.1457; 12.0519
90; 90; 90
2764.61Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin
Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.
Chemical science, 2018, 9, 3401-3408
1548984 CIFC15 H10 B5 F30 K5P -110.9621; 12.9672; 13.9252
111.325; 99.442; 105.532
1699.54Phelan, James P.; Wiles, Rebecca J.; Lang, Simon B.; Kelly, Christopher B.; Molander, Gary A.
Rapid access to diverse, trifluoromethyl-substituted alkenes using complementary strategies.
Chemical science, 2018, 9, 3215-3220
1548989 CIFC21 H15 F6 N2 O PC 1 2/c 16.861; 10.695; 23.818
90; 96.101; 90
1737.8Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W.
Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.
Chemical science, 2018, 9, 3122-3130
1548990 CIFC22 H15 F6 O2 PP -18.4805; 8.5013; 14.7698
74.017; 89.013; 64.503
917.65Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W.
Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.
Chemical science, 2018, 9, 3122-3130
1548991 CIFC23 H18 F6 N O PP -114.162; 15.264; 20.039
87.939; 85.555; 62.365
3826.1Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W.
Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.
Chemical science, 2018, 9, 3122-3130
1548992 CIFC24 H21 F6 N2 PP c c n14.5591; 21.6499; 13.0273
90; 90; 90
4106.2Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W.
Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.
Chemical science, 2018, 9, 3122-3130
1548993 CIFC35 H35 Cl2 F3 N8 Ni O3 SP -110.0222; 12.1506; 16.0254
69.063; 75.075; 81.389
1757.6Grübel, Michael; Bosque, Irene; Altmann, Philipp J.; Bach, Thorsten; Hess, Corinna R.
Redox and photocatalytic properties of a Ni<sup>II</sup> complex with a macrocyclic biquinazoline (Mabiq) ligand.
Chemical science, 2018, 9, 3313-3317
1548994 CIFC22 H35 NP 1 21/c 117.6983; 6.2954; 17.442
90; 102.677; 90
1896Grübel, Michael; Bosque, Irene; Altmann, Philipp J.; Bach, Thorsten; Hess, Corinna R.
Redox and photocatalytic properties of a Ni<sup>II</sup> complex with a macrocyclic biquinazoline (Mabiq) ligand.
Chemical science, 2018, 9, 3313-3317
1548995 CIFC33 H33 N8 NiP 21 21 2110.1802; 20.4136; 26.689
90; 90; 90
5546.4Grübel, Michael; Bosque, Irene; Altmann, Philipp J.; Bach, Thorsten; Hess, Corinna R.
Redox and photocatalytic properties of a Ni<sup>II</sup> complex with a macrocyclic biquinazoline (Mabiq) ligand.
Chemical science, 2018, 9, 3313-3317
1548996 CIFC16 H12 F3 N O4 SP -18.4561; 8.5762; 12.4229
110.047; 111.941; 90.1156
776.24Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio
Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis.
Chemical science, 2018, 9, 3276-3281
1548997 CIFC25 H22 F3 N O3 SP b c a16.8152; 15.0512; 17.5637
90; 90; 90
4445.18Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio
Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis.
Chemical science, 2018, 9, 3276-3281
1548998 CIFC25 H22 F3 N O4 SP 1 21/c 116.8716; 7.8975; 16.7075
90; 90.3044; 90
2226.13Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio
Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis.
Chemical science, 2018, 9, 3276-3281
1548999 CIFC23 H20 F3 N O4 SP 1 21/n 114.6966; 9.1174; 17.3812
90; 116.062; 90
2092.17Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio
Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis.
Chemical science, 2018, 9, 3276-3281
1549000 CIFC9 H12 O4 S2P 1 21 17.5406; 7.8875; 8.9868
90; 95.198; 90
532.31López-Vidal, Eva M.; Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine
Polymers from sugars and CS2: synthesis and ring-opening polymerisation of sulfur-containing monomers derived from 2-deoxy-d-ribose and d-xylose
Polymer Chemistry, 2018, 9, 1577
1549001 CIFC7 H10 O3 S2P 21 21 217.5535; 12.2965; 19.9749
90; 90; 90
1855.3López-Vidal, Eva M.; Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine
Polymers from sugars and CS2: synthesis and ring-opening polymerisation of sulfur-containing monomers derived from 2-deoxy-d-ribose and d-xylose
Polymer Chemistry, 2018, 9, 1577
1549002 CIFC9 H12 O5 SP 21 21 216.0784; 9.833; 17.9994
90; 90; 90
1075.8López-Vidal, Eva M.; Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine
Polymers from sugars and CS2: synthesis and ring-opening polymerisation of sulfur-containing monomers derived from 2-deoxy-d-ribose and d-xylose
Polymer Chemistry, 2018, 9, 1577
1549003 CIFC28 H44 Li2 N6P 1 21/n 19.746; 25.413; 11.319
90; 105.55; 90
2700.8Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar
Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments.
Chemical science, 2018, 9, 3111-3121
1549004 CIFC20 H36 Li2 N6P 1 21/c 112.7937; 9.7101; 18.6728
90; 94.3121; 90
2313.12Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar
Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments.
Chemical science, 2018, 9, 3111-3121
1549005 CIFC40 H68 Li2 N6P 1 21/c 113.864; 30.46; 9.851
90; 105.18; 90
4014.9Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar
Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments.
Chemical science, 2018, 9, 3111-3121
1549011 CIFC27 H29 Cl F6 N2 P RhP 1 21/n 115.9555; 11.5878; 17.1391
90; 116.061; 90
2846.6Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.
New activation mechanism for half-sandwich organometallic anticancer complexes.
Chemical science, 2018, 9, 3177-3185
1549012 CIFC20 H23 Cl F6 N2 P RhP m n 2112.9507; 8.31; 10.5094
90; 90; 90
1131.02Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.
New activation mechanism for half-sandwich organometallic anticancer complexes.
Chemical science, 2018, 9, 3177-3185
1549013 CIFC31 H37 Cl F6 N2 O2 P RhP -18.51582; 13.5384; 14.2569
94.5969; 92.9146; 92.6758
1634.15Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.
New activation mechanism for half-sandwich organometallic anticancer complexes.
Chemical science, 2018, 9, 3177-3185
1549014 CIFC36 H35 Cl F6 N2 O P RhP -18.7508; 14.4955; 14.5101
84.91; 74.415; 82.382
1754.53Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.
New activation mechanism for half-sandwich organometallic anticancer complexes.
Chemical science, 2018, 9, 3177-3185
1549015 CIFC25 H28 F12 N3 O0.5 P2 RhP -19.84864; 10.1712; 16.1627
101.363; 90.9323; 109.801
1487.41Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.
New activation mechanism for half-sandwich organometallic anticancer complexes.
Chemical science, 2018, 9, 3177-3185
1549016 CIFC36 H39 Cl F6 N2 O P RhP 1 21/n 18.0233; 28.1842; 16.1096
90; 94.393; 90
3632.2Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.
New activation mechanism for half-sandwich organometallic anticancer complexes.
Chemical science, 2018, 9, 3177-3185
1549017 CIFC34 H35 Cl F6 N2 O P RhP -18.40215; 12.9603; 15.392
80; 86.442; 86.175
1644.79Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.
New activation mechanism for half-sandwich organometallic anticancer complexes.
Chemical science, 2018, 9, 3177-3185
1549018 CIFC28 H29 Cl F6 N2 O P RhP -18.20707; 10.08952; 17.2032
82.3397; 81.4575; 84.0175
1390.95Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.
New activation mechanism for half-sandwich organometallic anticancer complexes.
Chemical science, 2018, 9, 3177-3185
1549020 CIFC27 H20 N2 O3 SP 1 21/c 112.6727; 15.398; 11.9061
90; 110.633; 90
2174.3Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha
Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields.
Chemical science, 2018, 9, 3592-3606
1549021 CIFC15 H11 N O3 SP -17.089; 7.256; 13.569
85.46; 77.9; 70.37
642.8Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha
Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields.
Chemical science, 2018, 9, 3592-3606
1549022 CIFC27 H18 N2 O3 SC 1 2 125.719; 7.5368; 11.759
90; 116.39; 90
2041.8Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha
Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields.
Chemical science, 2018, 9, 3592-3606
1549023 CIFC17 H16 N2 O3 SP 1 21/n 18.172; 9.666; 20.305
90; 99.512; 90
1581.9Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha
Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields.
Chemical science, 2018, 9, 3592-3606
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
1549035 CIFC3 H6 N3 O10 PP 1 21/c 112.37; 8.1257; 9.943
90; 97.638; 90
990.6Manner, Virginia W.; Cawkwell, Marc J.; Kober, Edward M.; Myers, Thomas W.; Brown, Geoff W.; Tian, Hongzhao; Snyder, Christopher J.; Perriot, Romain; Preston, Daniel N.
Examining the chemical and structural properties that influence the sensitivity of energetic nitrate esters.
Chemical science, 2018, 9, 3649-3663
1549036 CIFC4 H7 N3 O9P -17.6451; 7.8238; 8.9723
100.557; 96.753; 114.76
467.59Manner, Virginia W.; Cawkwell, Marc J.; Kober, Edward M.; Myers, Thomas W.; Brown, Geoff W.; Tian, Hongzhao; Snyder, Christopher J.; Perriot, Romain; Preston, Daniel N.
Examining the chemical and structural properties that influence the sensitivity of energetic nitrate esters.
Chemical science, 2018, 9, 3649-3663
1549042 CIFC17 H19 B F4 N2 OP 1 21/c 119.5805; 9.7595; 8.9644
90; 103.158; 90
1668.08Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549043 CIFC31 H35 B N2 OP 21 21 219.49835; 11.89113; 22.8675
90; 90; 90
2582.8Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549044 CIFC10 H16 I N OP 1 21 15.40542; 6.94898; 16.0701
90; 95.864; 90
600.47Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549045 CIFC40 H66 Cl2 N10 O16I 1 2/a 115.1489; 13.2904; 24.594
90; 97.293; 90
4911.6Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549046 CIFC17 H19 Cl N2 OP 1 21/c 118.7661; 8.8339; 9.6084
90; 100.318; 90
1567.1Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549047 CIFC19 H26 Cl N5 O3P 1 21/c 17.10113; 13.625; 20.6821
90; 91.5054; 90
2000.36Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549048 CIFC22 H32 N2 O6C 1 2 113.5545; 5.84781; 14.1657
90; 110.071; 90
1054.64Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549049 CIFC14 H18 F18 K N3 P2 SP 1 21/c 124.3732; 10.4084; 9.9932
90; 93.1701; 90
2531.26Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549050 CIFC34 H42 N4 O8 SP 1 21 18.6454; 9.463; 20.0392
90; 96.753; 90
1628.06Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549051 CIFC17 H21 N2 O5 PP 1 21/c 120.7561; 9.5134; 8.5352
90; 96.5078; 90
1674.51Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549052 CIFC14 H18 Br F6 N3 SP 1 21/c 110.9874; 14.2737; 23.2106
90; 90.2783; 90
3640.1Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549053 CIFC38 H48.7 N4 O11.35P 1 21 18.81; 9.7133; 21.7147
90; 100.169; 90
1829.03Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549054 CIFC18 H19 N3 O SP 1 21/c 119.8981; 8.0213; 10.8806
90; 100.435; 90
1707.92Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549055 CIFC17 H19 I N2 OP 1 21/c 119.6674; 8.1224; 10.8447
90; 105.289; 90
1671.09Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549056 CIFC10 H16 I N OP 21 21 217.32726; 18.9411; 25.6662
90; 90; 90
3562.12Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549057 CIFC10 H16 Cl N OP 1 21 17.2565; 6.1232; 12.557
90; 102.256; 90
545.23Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549058 CIFC11 H16 N2 O SP 21 21 216.09862; 7.52704; 27.3811
90; 90; 90
1256.92Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549059 CIFC42 H46 N4 O16 Sb2C 1 2 122.3684; 8.4156; 15.6852
90; 130.585; 90
2242.36Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549060 CIFC31 H35 B N2 OP 1 21/n 110.1433; 18.6189; 14.0467
90; 99.569; 90
2615.91Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549061 CIFC10 H16 Br N OP 1 21 17.4467; 6.20961; 12.5863
90; 101.176; 90
570.97Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549062 CIFC36 H38 N4 O8P 1 21 19.0081; 9.3218; 19.4957
90; 95.351; 90
1629.95Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549063 CIFC19 H23 Cl I N5 OP 1 21/c 112.9279; 12.5457; 13.139
90; 109.843; 90
2004.48Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549068 CIFC140.5 H113.5 Cl5.5 O1.5P -115.3025; 16.0955; 22.2445
94.998; 108.991; 92.221
5147.8Cruz, Carlos M.; Márquez, Irene R; Mariz, Inês F A; Blanco, Victor; Sánchez-Sánchez, Carlos; Sobrado, Jesús M; Martín-Gago, José A; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G
Enantiopure distorted ribbon-shaped nanographene combining two-photon absorption-based upconversion and circularly polarized luminescence.
Chemical science, 2018, 9, 3917-3924
1549069 CIFC116 H103 F3 O4 SP -114.3675; 17.3718; 18.9206
67.525; 86.143; 89.598
4352.9Cruz, Carlos M.; Márquez, Irene R; Mariz, Inês F A; Blanco, Victor; Sánchez-Sánchez, Carlos; Sobrado, Jesús M; Martín-Gago, José A; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G
Enantiopure distorted ribbon-shaped nanographene combining two-photon absorption-based upconversion and circularly polarized luminescence.
Chemical science, 2018, 9, 3917-3924
1549072 CIFC75 H61 B Cl5 F4 O3 Os P3 S2P 1 21/c 124.7978; 14.1129; 20.1547
90; 96.645; 90
7006.1Lu, Zhengyu; Cai, Yuanting; Wei, Yuanqing; Lin, Qin; Chen, Jiangxi; He, Xumin; Li, Shunhua; Wu, Weitai; Xia, Haiping
Photothermal Möbius aromatic metallapentalenofuran and its NIR-responsive copolymer
Polymer Chemistry, 2018, 9, 2092
1549073 CIFC77 H59 B Cl F4 O3 Os P3 S3P -111.1803; 14.1709; 23.4379
76.653; 84.029; 69.337
3379.62Lu, Zhengyu; Cai, Yuanting; Wei, Yuanqing; Lin, Qin; Chen, Jiangxi; He, Xumin; Li, Shunhua; Wu, Weitai; Xia, Haiping
Photothermal Möbius aromatic metallapentalenofuran and its NIR-responsive copolymer
Polymer Chemistry, 2018, 9, 2092
1549077 CIFC21 H18 Cl N3P 21 313.484; 13.484; 13.484
90; 90; 90
2451.6Xu, Jiaxi; Liu, Jingjing; Li, Zhenjiang; Xu, Songquan; Wang, Haixin; Guo, Tianfo; Gao, Yu; Zhang, Lei; Zhang, Chan; Guo, Kai
Opposite-charge repulsive cation and anion pair cooperative organocatalysis in ring-opening polymerization
Polymer Chemistry, 2018, 9, 2183
1549078 CIFC36 H26 N2 O2P 1 21/c 129.8205; 8.8627; 25.1375
90; 110.05; 90
6241Zhang, Chang-Wei; Ou, Bo; Jiang, Shu-Ting; Yin, Guang-Qiang; Chen, Li-Jun; Xu, Lin; Li, Xiaopeng; Yang, Hai-Bo
Cross-linked AIE supramolecular polymer gels with multiple stimuli-responsive behaviours constructed by hierarchical self-assembly
Polymer Chemistry, 2018, 9, 2021
1549080 CIFC25 H15 N O2P 1 21/n 115.4892; 7.8471; 15.5804
90; 114.831; 90
1718.65Mu, Yingxiao; Yang, Zhiyong; Chen, Junru; Yang, Zhan; Li, Wenlang; Tan, Xianbao; Mao, Zhu; Yu, Tao; Zhao, Juan; Zheng, Shizhao; Liu, Siwei; Zhang, Yi; Chi, Zhenguo; Xu, Jiarui; Aldred, Matthew P.
Mechano-induced persistent room-temperature phosphorescence from purely organic molecules.
Chemical science, 2018, 9, 3782-3787
1549081 CIFC57 H83 B2 Li O4P c c n21.5605; 26.1802; 19.2608
90; 90; 90
10871.9Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.
Chemical science, 2018, 9, 3881-3891
1549082 CIFC56 H85 B2 Li O4P 1 21/n 110.7242; 21.4641; 24.027
90; 97.208; 90
5487Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.
Chemical science, 2018, 9, 3881-3891
1549083 CIFC44 H56 B2P -15.974; 14.639; 21.461
82.273; 89.91; 86.79
1856.8Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.
Chemical science, 2018, 9, 3881-3891
1549084 CIFC66 H98 B2 Li2 O7P 1 21/c 112.9451; 18.3459; 27.0962
90; 101.393; 90
6308.3Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.
Chemical science, 2018, 9, 3881-3891
1549085 CIFC53 H75 B2 Li O3P 1 21 114.775; 19.9973; 17.9098
90; 109.105; 90
5000.2Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.
Chemical science, 2018, 9, 3881-3891
1549086 CIFC61 H90 B2 Cl Li O8F d d 212.2698; 43.946; 21.961
90; 90; 90
11841.6Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.
Chemical science, 2018, 9, 3881-3891
1549087 CIFC63 H87 B2 Li O4P 1 21/c 119.497; 24.7864; 23.972
90; 92.463; 90
11574Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.
Chemical science, 2018, 9, 3881-3891
1549088 CIFC43 H54 B2P c a 2141.344; 14.272; 6.1349
90; 90; 90
3620Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.
Chemical science, 2018, 9, 3881-3891
1549089 CIFC70 H84 B2 OP -110.4041; 11.5484; 25.736
79.323; 85.313; 81.22
2998.51Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.
Chemical science, 2018, 9, 3881-3891

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