Crystallography Open Database

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1515209 CIFC39 H37 Cl2 N2 O6 P PdP 1 21/c 110.7248; 22.0346; 16.3099
90; 105.166; 90
3720.1Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.
On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3
Chemical Science, 2012, 3, 1656
1515210 CIFC39 H37 Cl2 N2 O6 P PdP 1 21/c 110.7075; 21.8698; 16.3273
90; 105.309; 90
3687.7Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.
On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3
Chemical Science, 2012, 3, 1656
1515211 CIFC39 H37 Cl2 N2 O6 P PdP 1 21/c 110.6878; 21.7334; 16.3349
90; 105.419; 90
3657.7Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.
On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3
Chemical Science, 2012, 3, 1656
1515212 CIFC50 H55 N5 O12 Pd2P -111.125; 15.392; 15.758
74.695; 77.903; 70.463
2430.9Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.
On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3
Chemical Science, 2012, 3, 1656
1515213 CIFC42 H48 N8 O12 PdP -18.435; 10.2678; 13.5105
77.953; 76.502; 72.666
1073.86Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.
On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3
Chemical Science, 2012, 3, 1656
1515214 CIFC41 H40 Cl2 N O6 P PdC 1 2/c 147.4181; 11.0136; 17.7382
90; 107.608; 90
8829.7Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.
On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3
Chemical Science, 2012, 3, 1656
1515215 CIFC12 H25 N3 O4 PdP 1 21/n 110.5351; 9.7782; 15.3104
90; 90.555; 90
1577.12Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.
On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3
Chemical Science, 2012, 3, 1656
1515216 CIFC122 H124 Br2 Cl12 N8 O4 Zn2P -110.337; 15.431; 19.611
82.82; 84.35; 82.95
3069.2Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.
Engineering conjugation in para-phenylene-bridged porphyrin tapes
Chemical Science, 2012, 3, 1541
1515217 CIFC150 H162 N12 O2 Zn2P -111.998; 14.379; 19.482
82.891; 87.456; 76.474
3242.3Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.
Engineering conjugation in para-phenylene-bridged porphyrin tapes
Chemical Science, 2012, 3, 1541
1515218 CIFC154.044 H162.374 N11.518 O2 Zn2P -110.038; 18.807; 19.38
78.31; 84.46; 82.55
3543Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.
Engineering conjugation in para-phenylene-bridged porphyrin tapes
Chemical Science, 2012, 3, 1541
1515219 CIFC184 H178 N10 Zn2P -111.254; 16.718; 19.85
83.634; 79.865; 87.849
3653.1Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.
Engineering conjugation in para-phenylene-bridged porphyrin tapes
Chemical Science, 2012, 3, 1541
1515220 CIFC236 H235 Br2 Cl3 N16 O8 Zn4P -115.4354; 16.6155; 21.9618
98.915; 98.974; 93.126
5478.4Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.
Engineering conjugation in para-phenylene-bridged porphyrin tapes
Chemical Science, 2012, 3, 1541
1515221 CIFC172 H182 N16 Zn2P -112.428; 14.323; 21.854
80.953; 87.36; 69.226
3592Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.
Engineering conjugation in para-phenylene-bridged porphyrin tapes
Chemical Science, 2012, 3, 1541
1515222 CIFC28 H28 N4 O5P 21 21 218.5307; 9.5523; 30.0128
90; 90; 90
2445.7Stache, Erin E.; Seizert, Curtis A.; Ferreira, Eric M.
Molecular scaffolds with remote directing groups for selective palladium-catalyzed C–H bond functionalizations
Chemical Science, 2012, 3, 1623
1515223 CIFC26 H25 N3 O3.35 PdP 21 21 2110.6627; 13.0584; 17.7049
90; 90; 90
2465.19Stache, Erin E.; Seizert, Curtis A.; Ferreira, Eric M.
Molecular scaffolds with remote directing groups for selective palladium-catalyzed C‒H bond functionalizations
Chemical Science, 2012, 3, 1623
1515224 CIFC68 H75 N3 O17 Rh2P 1 21 19.957; 21.918; 15.524
90; 104.837; 90
3275Boruta, David T.; Dmitrenko, Olga; Yap, Glenn P. A.; Fox, Joseph M.
Rh(2)(S-PTTL)(3)TPA-A Mixed Ligand Dirhodium(II) Catalyst for Enantioselective Reactions of α-Alkyl-α-Diazoesters.
Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 1589-1593
1515225 CIFC134 Cl6 D2 F28P n m a9.9798; 16.4442; 24.1424
90; 90; 90
3962Kuvychko, Igor V.; Whitaker, James B.; Larson, Bryon W.; Folsom, Travis C.; Shustova, Natalia B.; Avdoshenko, Stanislav M.; Chen, Yu-Sheng; Wen, Hui; Wang, Xue-Bin; Dunsch, Lothar; Popov, Alexey A.; Boltalina, Olga V.; Strauss, Steven H.
Substituent effects in a series of 1,7-C60(RF)2 compounds (RF = CF3, C2F5, n-C3F7, i-C3F7, n-C4F9, s-C4F9, n-C8F17): electron affinities, reduction potentials and E(LUMO) values are not always correlated
Chemical Science, 2012, 3, 1399
1515226 CIFC35 H33 Fe N2 O4.41 PP 21 21 218.45; 11.0814; 32.443
90; 90; 90
3037.9Conde, Egoitz; Bello, Davide; de Cózar, Abel; Sánchez, Mirian; Vázquez, Miguel A.; Cossío, Fernando P.
Densely substituted unnatural l- and d-prolines as catalysts for highly enantioselective stereodivergent (3 + 2) cycloadditions and aldol reactions
Chemical Science, 2012, 3, 1486
1515227 CIFC34 H31 Fe N2 O4 PP 1 21 17.0453; 24.2072; 9.1599
90; 109.031; 90
1476.81Conde, Egoitz; Bello, Davide; de Cózar, Abel; Sánchez, Mirian; Vázquez, Miguel A.; Cossío, Fernando P.
Densely substituted unnatural l- and d-prolines as catalysts for highly enantioselective stereodivergent (3 + 2) cycloadditions and aldol reactions
Chemical Science, 2012, 3, 1486
1515228 CIFC14 H12 Cl3 N5 OsC 1 2/c 114.4225; 13.237; 9.0745
90; 102.821; 90
1689.2Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu
Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents
Chemical Science, 2012, 3, 1582
1515229 CIFC8 H12 Cl3 N5 OsC 1 2/c 110.314; 15.45; 8.562
90; 96.39; 90
1355.9Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu
Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents
Chemical Science, 2012, 3, 1582
1515230 CIFC10 H16 Cl3 N5 OsC 1 2/c 110.466; 14.595; 10.063
90; 92.79; 90
1535.31Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu
Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents
Chemical Science, 2012, 3, 1582
1515231 CIFC16 H16 Cl3 N5 OsP -110.4137; 11.0728; 11.4646
87.628; 70.662; 66.25
1135.25Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu
Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents
Chemical Science, 2012, 3, 1582
1515232 CIFC23.5 H27 Cl F6 N2 Rh SbP 1 21/c 124.2; 13.427; 16.2572
90; 95.747; 90
5256Li, Yang; Zhang, Xi-Sha; Li, Hu; Wang, Wen-Hua; Chen, Kang; Li, Bi-Jie; Shi, Zhang-Jie
Mechanistic understanding of Rh-catalyzed N-sulfonylaldimine insertion into aryl C‒H bonds
Chemical Science, 2012, 3, 1634
1515233 CIFC35 H36 F6 N2 O2 Rh S SbP 1 21/c 118.507; 10.873; 17.673
90; 103.416; 90
3459Li, Yang; Zhang, Xi-Sha; Li, Hu; Wang, Wen-Hua; Chen, Kang; Li, Bi-Jie; Shi, Zhang-Jie
Mechanistic understanding of Rh-catalyzed N-sulfonylaldimine insertion into aryl C‒H bonds
Chemical Science, 2012, 3, 1634
1515234 CIFC86 H109 F30 N16 O10 PP 21 21 2119.21; 20.782; 25.12
90; 90; 90
10028Akhuli, Bidyut; Ravikumar, I.; Ghosh, Pradyut
Acid/base controlled size modulation of capsular phosphates, hydroxide encapsulation, quantitative and clean extraction of sulfate with carbonate capsules of a tripodal urea receptor
Chemical Science, 2012, 3, 1522
1515235 CIFC43 H54 F15 N8 O4P -113.939; 14.194; 14.511
93.624; 118.198; 96.509
2491.5Akhuli, Bidyut; Ravikumar, I.; Ghosh, Pradyut
Acid/base controlled size modulation of capsular phosphates, hydroxide encapsulation, quantitative and clean extraction of sulfate with carbonate capsules of a tripodal urea receptor
Chemical Science, 2012, 3, 1522
1515236 CIFC21 H19 BP 1 21/a 17.9976; 30.448; 13.5205
90; 96.2528; 90
3272.8Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro
Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?
Chemical Science, 2012, 3, 1461
1515237 CIFC24 H22 B NP 4/n :222.546; 22.546; 7.1203
90; 90; 90
3619.4Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro
Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?
Chemical Science, 2012, 3, 1461
1515238 CIFC23 H19 B OC 1 2/c 125.956; 8.077; 16.85
90; 105.859; 90
3398.1Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro
Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?
Chemical Science, 2012, 3, 1461
1515239 CIFC23 H19 B SC 1 2/c 132.132; 7.89; 14.955
90; 106.728; 90
3631Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro
Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?
Chemical Science, 2012, 3, 1461
1515240 CIFC11 H23 Cl N6P -14.4289; 9.6455; 17.6718
101.395; 95.279; 92.673
735.28Xu, Jun; Wu, Guanglu; Wang, Zhiqiang; Zhang, Xi
Generation of 2D organic microsheets from protonated melamine derivatives: suppression of the self assembly of a particular dimension by introduction of alkyl chains
Chemical Science, 2012, 3, 3227
1515241 CIFC67 H74 B F4 N3 O8P 1 21/c 116.242; 18.9077; 19.5236
90; 94.318; 90
5978.7Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.
Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles
Chemical Science, 2012, 3, 3265
1515242 CIFC100 H114 N4 O10P 1 21/c 114.1231; 23.13; 26.377
90; 100.575; 90
8470.2Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.
Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles
Chemical Science, 2012, 3, 3265
1515243 CIFC76.5 H96.5 B2 Cl1.5 F8 N4 O8C 1 2/c 113.833; 29.043; 38.755
90; 97.751; 90
15428Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.
Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles
Chemical Science, 2012, 3, 3265
1515244 CIFC89.5 H107.5 B2 Cl1.5 F8 N5 O12P 1 21/c 121.517; 39.753; 11.1884
90; 96.934; 90
9500Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.
Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles
Chemical Science, 2012, 3, 3265
1515245 CIFC89 H111 B2 F8 N9 O18P -114.951; 16.589; 9.3553
100.333; 92.296; 91.691
2279.3Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.
Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles
Chemical Science, 2012, 3, 3265
1515246 CIFC15 H15 N O3 SP 21 21 215.4774; 10.39; 25.084
90; 90; 90
1427.5Uraguchi, Daisuke; Kinoshita, Natsuko; Nakashima, Daisuke; Ooi, Takashi
Chiral ionic Brønsted acid–achiral Brønsted base synergistic catalysis for asymmetric sulfa-Michael addition to nitroolefins
Chemical Science, 2012, 3, 3161
1515247 CIFC16 H17 N O4 SP 21 21 215.5219; 12.136; 23.04
90; 90; 90
1544Uraguchi, Daisuke; Kinoshita, Natsuko; Nakashima, Daisuke; Ooi, Takashi
Chiral ionic Brønsted acid–achiral Brønsted base synergistic catalysis for asymmetric sulfa-Michael addition to nitroolefins
Chemical Science, 2012, 3, 3161
1515248 CIFC23 H23 Cu F18 N O6P -110.2817; 10.9413; 15.5048
88.673; 82.244; 67.515
1596.1Mack, Daniel J.; Njardarson, Jon T.
New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway
Chemical Science, 2012, 3, 3321
1515249 CIFC26 H30 F18 N Ni O6P -19.9155; 10.9991; 15.6366
83.547; 90.332; 70.468
1595.32Mack, Daniel J.; Njardarson, Jon T.
New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway
Chemical Science, 2012, 3, 3321
1515250 CIFC23 H23 F18 N O6 ZnP -110.3786; 10.8425; 15.1786
86.056; 80.156; 67.947
1559.8Mack, Daniel J.; Njardarson, Jon T.
New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway
Chemical Science, 2012, 3, 3321
1515251 CIFC21 H15 Cu F12 N O6 SP -111.5841; 12.0774; 12.1591
63.859; 71.425; 64.501
1360.82Mack, Daniel J.; Njardarson, Jon T.
New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway
Chemical Science, 2012, 3, 3321
1515252 CIFC23 H20 Cl N O2 SP 1 21 110.3431; 9.0814; 10.9394
90; 102.94; 90
1001.44Mack, Daniel J.; Njardarson, Jon T.
New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway
Chemical Science, 2012, 3, 3321
1515253 CIFC23 H20 Cl N O2 SP 1 21 111.9219; 12.6553; 13.531
90; 106.461; 90
1957.82Mack, Daniel J.; Njardarson, Jon T.
New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway
Chemical Science, 2012, 3, 3321
1515254 CIFC8 H10 Cd N4I m -3 m30.5539; 30.5539; 30.5539
90; 90; 90
28523.3Karagiaridi, Olga; Bury, Wojciech; Sarjeant, Amy A.; Stern, Charlotte L.; Farha, Omar K.; Hupp, Joseph T.
Synthesis and characterization of isostructural cadmium zeolitic imidazolate frameworks via solvent-assisted linker exchange
Chemical Science, 2012, 3, 3256
1515255 CIFC8 H12 N O2P 1 21/c 17.3754; 11.0558; 9.6355
90; 105.863; 90
755.77Sonobe, Toshiaki; Oisaki, Kounosuke; Kanai, Motomu
Catalytic aerobic production of imines en route to mild, green, and concise derivatizations of amines
Chemical Science, 2012, 3, 3249
1515256 CIFC156 H60 N12 O50 Zn19I a -343.03; 43.03; 43.03
90; 90; 90
79674Wang, Xi-Sen; Chrzanowski, Matthew; Gao, Wen-Yang; Wojtas, Lukasz; Chen, Yu-Sheng; Zaworotko, Michael J.; Ma, Shengqian
Vertex-directed self-assembly of a high symmetry supermolecular building block using a custom-designed porphyrin
Chemical Science, 2012, 3, 2823
1515257 CIFC156 H60 Cd11 N12 O51P m -3 m22.521; 22.521; 22.521
90; 90; 90
11423Wang, Xi-Sen; Chrzanowski, Matthew; Gao, Wen-Yang; Wojtas, Lukasz; Chen, Yu-Sheng; Zaworotko, Michael J.; Ma, Shengqian
Vertex-directed self-assembly of a high symmetry supermolecular building block using a custom-designed porphyrin
Chemical Science, 2012, 3, 2823
1515258 CIFC169.5 H273 Mn7 N18 O37.5R -3 :H32.152; 32.152; 31.611
90; 90; 120
28300Hoeke, Veronika; Gieb, Klaus; Müller, Paul; Ungur, Liviu; Chibotaru, Liviu F.; Heidemeier, Maik; Krickemeyer, Erich; Stammler, Anja; Bögge, Hartmut; Schröder, Christian; Schnack, Jürgen; Glaser, Thorsten
Hysteresis in the ground and excited spin state up to 10 T of a [MnIII6MnIII]3+ triplesalen single-molecule magnet
Chemical Science, 2012, 3, 2868
1515259 CIFC53.53 H67.58 N11 O12.86P -110.9563; 13.8555; 19.2
70.922; 84.699; 78.582
2698.8Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent
Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers
Chemical Science, 2012, 3, 2726
1515260 CIFC104 H118 N22 O20I 1 2/a 123.1428; 17.9913; 27.126
90; 97.895; 90
11187.4Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent
Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers
Chemical Science, 2012, 3, 2726
1515261 CIFC53.53 H67.58 N11 O12.86P -110.9563; 13.8555; 19.2
70.922; 84.699; 78.582
2698.8Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent
Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers
Chemical Science, 2012, 3, 2726
1515262 CIFC53.53 H67.58 N11 O12.86P -110.9563; 13.8555; 19.2
70.922; 84.699; 78.582
2698.8Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent
Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers
Chemical Science, 2012, 3, 2726
1515263 CIFC110 H110 Cl9 N7 S24C 1 2/c 131.769; 20.0818; 24.852
90; 129.585; 90
12219.2Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L.
Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6)
Chemical Science, 2012, 3, 2685
1515264 CIFC110 H127 Cl3 N6 S20P n m a28.3045; 24.6469; 17.5652
90; 90; 90
12253.8Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L.
Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6)
Chemical Science, 2012, 3, 2685
1515265 CIFC79 H85 Cl8 N5 S16P n n m29.858; 14.168; 21.609
90; 90; 90
9141Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L.
Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6)
Chemical Science, 2012, 3, 2685
1515266 CIFC18 H36 Cd N2P 1 21/n 111.8651; 11.5596; 15.509
90; 112.201; 90
1969.45Armstrong, David R.; Kennedy, Alan R.; Mulvey, Robert E.; Parkinson, John A.; Robertson, Stuart D.
Opening the black box of mixed-metal TMP metallating reagents: direct cadmation or lithium–cadmium transmetallation?
Chemical Science, 2012, 3, 2700
1515267 CIFC32 H28 N6 SiP b c n20.8494; 10; 13.5537
90; 90; 90
2825.9Liu, Jianzhao; Su, Huimin; Meng, Luming; Zhao, Yihua; Deng, Chunmei; Ng, Jason C. Y.; Lu, Ping; Faisal, Mahtab; Lam, Jacky W. Y.; Huang, Xuhui; Wu, Hongkai; Wong, Kam Sing; Tang, Ben Zhong
What makes efficient circularly polarised luminescence in the condensed phase: aggregation-induced circular dichroism and light emission
Chemical Science, 2012, 3, 2737
1515268 CIFC18 H21 N O6P 111.3125; 12.0218; 13.7304
102.179; 107.108; 93.227
1730.44Kimmel, Kyle L.; Weaver, Jimmie D.; Ellman, Jonathan A.
Enantio- and diastereoselective addition of cyclohexyl Meldrum's acid to β- and α,β-disubstituted nitroalkenes via N-sulfinyl urea catalysis
Chemical Science, 2012, 3, 121
1515269 CIFC29 H40 Au Cl4 F N2P 1 21/m 19.3108; 16.3917; 10.7713
90; 103.594; 90
1597.9Mankad, Neal P.; Toste, F. Dean
C(sp(3))-F reductive elimination from alkylgold(iii) fluoride complexes.
Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 72-76
1515270 CIFC24 H25 Br N2 OP 21 21 217.4734; 46.036; 6.1199
90; 90; 90
2105.5Zhuo, Chun-Xiang; Liu, Wen-Bo; Wu, Qing-Feng; You, Shu-Li
Asymmetric dearomatization of pyrroles via Ir-catalyzed allylic substitution reaction: enantioselective synthesis of spiro-2H-pyrroles
Chemical Science, 2012, 3, 205
1515271 CIFC67.5 H36 B F24 N5 PC 1 2/c 130.1073; 18.082; 22.4608
90; 106.257; 90
11738.8Higashino, Tomohiro; Osuka, Atsuhiro
Phosphorus complexes of a triply-fused [24]pentaphyrin
Chemical Science, 2012, 3, 103
1515272 CIFC74.5 H22.25 Cl3.25 F24 N5 O PP 1 21/a 129.5322; 10.3705; 41.5808
90; 99.1602; 90
12572.3Higashino, Tomohiro; Osuka, Atsuhiro
Phosphorus complexes of a triply-fused [24]pentaphyrin
Chemical Science, 2012, 3, 103
1515273 CIFC76 H30 F24 N5 P SP 1 21/c 119.4591; 8.6913; 37.1609
90; 94.5998; 90
6264.6Higashino, Tomohiro; Osuka, Atsuhiro
Phosphorus complexes of a triply-fused [24]pentaphyrin
Chemical Science, 2012, 3, 103
1515274 CIFC57.75 H11 Cl3 F24 N6 O1.5 PP -110.1849; 14.9773; 17.6759
85.568; 88.271; 76.766
2616.7Higashino, Tomohiro; Osuka, Atsuhiro
Phosphorus complexes of a triply-fused [24]pentaphyrin
Chemical Science, 2012, 3, 103
1515275 CIFC14 H21 N9 O6P 115.8942; 16.2322; 17.6688
89.748; 72.741; 63.537
3853.3Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît
Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants
Chemical Science, 2012, 3, 249
1515276 CIFC24 H70 N6 O30 S2P 1 21 16.8516; 26.1435; 12.6653
90; 102.975; 90
2210.7Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît
Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants
Chemical Science, 2012, 3, 249
1515277 CIFC24 H70 N6 O30 S2C 2 2 216.7453; 25.6806; 25.6822
90; 90; 90
4448.76Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît
Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants
Chemical Science, 2012, 3, 249
1515278 CIFC56 H118 N13 O47 S5P 16.6138; 16.3922; 23.9598
101.113; 92.328; 95.176
2534Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît
Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants
Chemical Science, 2012, 3, 249
1515332 CIFC16 H19 N O2P 1 21 111.3513; 5.7944; 11.73
90; 117.303; 90
685.6Rossegger, Elisabeth; Oláh, László; Fischer, Roland; Kaschnitz, Petra; Varga, Olívia; Kállay, Mihály; Scheipl, Gregor; Stelzer, Franz; Wiesbrock, Frank
Synthesis of a poly(2-azanorbornene) with a high degree of cis-TT-stereoregularity and a regular secondary solution structure
Polymer Chemistry, 2012, 3, 2760
1515333 CIFC51 H47 Cl2 Co N3P -19.713; 15.277; 16.407
81.79; 84.01; 76.97
2341Lai, Jingjuan; Zhao, Weizhen; Yang, Wenhong; Redshaw, Carl; Liang, Tongling; Liu, Yongwen; Sun, Wen-Hua
2-[1-(2,4-Dibenzhydryl-6-methylphenylimino)ethyl]-6-[1-(arylimino)ethyl]pyridylcobalt(ii) dichlorides: Synthesis, characterization and ethylene polymerization behavior
Polymer Chemistry, 2012, 3, 787
1515334 CIFC25 H20 B N OP 1 21/c 114.0269; 14.0772; 9.7274
90; 98.318; 90
1900.56Cheng, Fei; Bonder, Edward M.; Doshi, Ami; Jäkle, Frieder
Organoboron star polymers via arm-first RAFT polymerization: synthesis, luminescent behavior, and aqueous self-assembly
Polymer Chemistry, 2012, 3, 596
1515335 CIFC30 H20P 21 21 219.3233; 14.8844; 15.9251
90; 90; 90
2209.95Hu, Rongrong; Lam, Jacky W. Y.; Liu, Jianzhao; Sung, Herman H. Y.; Williams, Ian D.; Yue, Zhounan; Wong, Kam Sing; Yuen, Matthew M. F.; Tang, Ben Zhong
Hyperbranched conjugated poly(tetraphenylethene): synthesis, aggregation-induced emission, fluorescent photopatterning, optical limiting and explosive detection
Polymer Chemistry, 2012, 3, 1481
1515336 CIFC30 H20C 1 2/c 120.918; 5.5926; 19.778
90; 107.11; 90
2211Hu, Rongrong; Lam, Jacky W. Y.; Liu, Jianzhao; Sung, Herman H. Y.; Williams, Ian D.; Yue, Zhounan; Wong, Kam Sing; Yuen, Matthew M. F.; Tang, Ben Zhong
Hyperbranched conjugated poly(tetraphenylethene): synthesis, aggregation-induced emission, fluorescent photopatterning, optical limiting and explosive detection
Polymer Chemistry, 2012, 3, 1481
1515337 CIFC22.5 H17 Cl0.5 N6P -111.8246; 13.8037; 14.9944
114.804; 105.639; 98.943
2035.95Michinobu, Tsuyoshi; Seo, Chayeon; Noguchi, Keiichi; Mori, Takehiko
Effects of click postfunctionalization on thermal stability and field effect transistor performances of aromatic polyamines
Polymer Chemistry, 2012, 3, 1427
1515338 CIFC20 H11 N5I 4112.1481; 12.1481; 10.9626
90; 90; 90
1617.82Michinobu, Tsuyoshi; Seo, Chayeon; Noguchi, Keiichi; Mori, Takehiko
Effects of click postfunctionalization on thermal stability and field effect transistor performances of aromatic polyamines
Polymer Chemistry, 2012, 3, 1427
1515339 CIFC16 H12 O S6P 1 c 122.338; 4.7901; 17.757
90; 113.326; 90
1744.7Kaur, Sandeep; Findlay, Neil J.; Kanibolotsky, Alexander L.; Elmasly, Saadeldin E. T.; Skabara, Peter J.; Berridge, Rory; Wilson, Claire; Coles, Simon J.
Electrochromic properties of a poly(dithienylfuran) derivative featuring a redox-active dithiin unit
Polymer Chemistry, 2012, 3, 2277
1515340 CIFC25 H24 N4 O3P 1 21/c 18.56617; 34.5561; 7.35229
90; 95.27; 90
2167.18Rayner, Georgina; Smith, Timothy; Barton, William; Newton, Mark; Deeth, Robert J.; Prokes, Ivan; Clarkson, Guy J.; Haddleton, David M.
A comparison of verdazyl radicals modified at the 3-position as mediators in the living radical polymerisation of styrene and n-butyl acrylate
Polymer Chemistry, 2012, 3, 2254
1515341 CIFC14 H12 N4P 1 21/n 15.8594; 19.801; 10.253
90; 97.18; 90
1180.2Lang, Christiane; Kiefer, Claude; Lejeune, Elise; Goldmann, Anja S.; Breher, Frank; Roesky, Peter W.; Barner-Kowollik, Christopher
Palladium-containing polymers via a combination of RAFT and triazole chemistry
Polymer Chemistry, 2012, 3, 2413
1515342 CIFC15 H15 Cl2 N4 O0.5 Pd S0.5P -19.907; 10.194; 19.177
79.28; 76.22; 62.5
1661.9Lang, Christiane; Kiefer, Claude; Lejeune, Elise; Goldmann, Anja S.; Breher, Frank; Roesky, Peter W.; Barner-Kowollik, Christopher
Palladium-containing polymers via a combination of RAFT and triazole chemistry
Polymer Chemistry, 2012, 3, 2413
1515408 CIFC19 H23 N S2P 1 21/c 15.48322; 41.7378; 7.65094
90; 107.176; 90
1672.89Allard, Nicolas; Najari, Ahmed; Pouliot, Jean-Rémi; Pron, Agnieszka; Grenier, François; Leclerc, Mario
Easy and versatile synthesis of new poly(thieno[3,4-d]thiazole)s
Polymer Chemistry, 2012, 3, 2875
1515693 CIFC28 H36 N2 O12 ZnP b c a11.8469; 8.7118; 28.9529
90; 90; 90
2988.2Kawarada, Hikaru; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kuwahara, Shunsuke; Habata, Yoichi; Saito, Ryota
Synthesis and in vitro insulin-mimetic activities of zinc(ii) complexes of ethyl 2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrole-3-carboxylates.
Metallomics : integrated biometal science, 2011, 3, 675-679
1515694 CIFC19 H15 N O RuP 1 21/c 122.508; 5.9232; 22.328
90; 101.252; 90
2919.5Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew
Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors.
Metallomics : integrated biometal science, 2011, 3, 600-608
1515695 CIFC20 H17 Fe N OP b c a17.4825; 7.342; 23.1152
90; 90; 90
2966.99Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew
Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors.
Metallomics : integrated biometal science, 2011, 3, 600-608
1515696 CIFC19 H14 Br Fe N OC 1 2/c 130.9574; 16.257; 7.4078
90; 101.757; 90
3649.9Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew
Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors.
Metallomics : integrated biometal science, 2011, 3, 600-608
1515697 CIFC19 H17 Fe N OP 1 21/c 16.0028; 21.513; 11.3488
90; 93.01; 90
1463.54Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew
Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors.
Metallomics : integrated biometal science, 2011, 3, 600-608
1515698 CIFC28 H31 Cl2 N3 Ru SP -110.9976; 11.9803; 12.8925
82.679; 79.518; 73.741
1598.22Beckford, Floyd; Thessing, Jeffrey; Woods, Jason; Didion, Jacob; Gerasimchuk, Nikolay; Gonzalez-Sarrias, Antonio; Seeram, Navindra P.
Synthesis and structure of [(η(6)-p-cymene)Ru(2-anthracen-9-ylmethylene-N-ethylhydrazinecarbothioamide)Cl]Cl; biological evaluation, topoisomerase II inhibition and reaction with DNA and human serum albumin.
Metallomics : integrated biometal science, 2011, 3, 491-502
1515699 CIFC44 H52 N8 O4 P Ru S2P 1 21/c 125.792; 8.6974; 21.213
90; 111.142; 90
4438.3Prabhakaran, R.; Kalaivani, P.; Jayakumar, R.; Zeller, M.; Hunter, A. D.; Renukadevi, S. V.; Ramachandran, E.; Natarajan, K.
Synthesis, structure and biological evaluation of bis salicylaldehyde-4(N)-ethylthiosemicarbazone ruthenium(iii) triphenylphosphine.
Metallomics : integrated biometal science, 2011, 3, 42-48
1515700 CIFC16 H16 Br N3 OP 1 21/n 17.082; 15.9788; 13.7653
90; 90.326; 90
1557.68Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias
Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.
Metallomics : integrated biometal science, 2011, 3, 74-88
1515701 CIFC23 H25 Br N2 OP -19.9811; 10.0794; 11.7361
67.423; 82.718; 76.645
1059.77Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias
Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.
Metallomics : integrated biometal science, 2011, 3, 74-88
1515702 CIFC25 H21 Br N4P 1 21/n 17.269; 12.62118; 23.4502
90; 97.0346; 90
2135.21Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias
Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.
Metallomics : integrated biometal science, 2011, 3, 74-88
1515703 CIFC14 H12 Ag Cl2 N3 O2P 1 21/c 14.40268; 16.737; 21.1545
90; 91.612; 90
1558.21Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias
Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.
Metallomics : integrated biometal science, 2011, 3, 74-88
1515704 CIFC27 H23 Ag N4 O2P 1 2/n 115.3823; 7.83949; 19.8044
90; 96.7996; 90
2371.4Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias
Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.
Metallomics : integrated biometal science, 2011, 3, 74-88
1515705 CIFC62 H54 Ag2 N4 O4C 1 2/c 123.9368; 9.5997; 25.2845
90; 119.297; 90
5066.9Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias
Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.
Metallomics : integrated biometal science, 2011, 3, 74-88
1515706 CIFC25 H25 Ag N2 O2P 1 21/c 111.7885; 47.3901; 7.8129
90; 99.281; 90
4307.6Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias
Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.
Metallomics : integrated biometal science, 2011, 3, 74-88
1515707 CIFC16 H8 N2P -13.7976; 8.3908; 9.0986
72.193; 78.465; 89.756
269.958Xiao, Jinchong; Yin, Zongyou; Yang, Bo; Liu, Yi; Ji, Li; Guo, Jun; Huang, Ling; Liu, Xuewei; Yan, Qingyu; Zhang, Hua; Zhang, Qichun
Preparation, characterization, physical properties, and photoconducting behaviour of anthracene derivative nanowires.
Nanoscale, 2011, 3, 4720-4723
1515888 CIFC10 H32 B2 N4 NiP n m a14.4512; 9.4625; 11.7824
90; 90; 90
1611.18Churchard, Andrew James; Cyranski, Michał Ksawery; Dobrzycki, Łukasz; Budzianowski, Armand; Grochala, Wojciech
Nickel macrocycles with complex hydrides—new avenues for hydrogen storage research
Energy & Environmental Science, 2010, 3, 1973
1515889 CIFC10 H32 B2 N4 NiP 1 21/c 17.1397; 12.8109; 8.7041
90; 109.948; 90
748.36Churchard, Andrew James; Cyranski, Michał Ksawery; Dobrzycki, Łukasz; Budzianowski, Armand; Grochala, Wojciech
Nickel macrocycles with complex hydrides—new avenues for hydrogen storage research
Energy & Environmental Science, 2010, 3, 1973
1515890 CIFC17 H20 Co N5 O1.5I 41/a m d :222.847; 22.847; 12.458
90; 90; 90
6503Choi, Hye Jin; Dincă, Mircea; Dailly, Anne; Long, Jeffrey R.
Hydrogen storage in water-stable metal‒organic frameworks incorporating 1,3- and 1,4-benzenedipyrazolate
Energy & Environmental Science, 2010, 3, 117

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