Crystallography Open Database

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1560239 CIFC50 H52 Br2 N4 O12P 1 21/n 119.889; 18.209; 33.691
90; 105.93; 90
11733Wilson, Benjamin H.; Abdulla, Louae M.; Schurko, Robert W.; Loeb, Stephen J.
Translational dynamics of a non-degenerate molecular shuttle imbedded in a zirconium metal‒organic framework
Chemical Science, 2021, 12, 3944-3951
1560240 CIFC57 H67.5 B Br2 F4 N4.5 O12.5P 1 21/c 128.49; 10.505; 43.418
90; 106.34; 90
12470Wilson, Benjamin H.; Abdulla, Louae M.; Schurko, Robert W.; Loeb, Stephen J.
Translational dynamics of a non-degenerate molecular shuttle imbedded in a zirconium metal‒organic framework
Chemical Science, 2021, 12, 3944-3951
1560241 CIFC38 H41 F3 P2P 1 21/c 19.60831; 33.8371; 10.09764
90; 99.1105; 90
3241.5Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.
Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis
Chemical Science, 2021, 12, 4329-4337
1560242 CIFC41.79 H50.79 Cl0.41 N0.79 P2P -110.9245; 12.9655; 14.1731
63.574; 81.1475; 75.1466
1735.83Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.
Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis
Chemical Science, 2021, 12, 4329-4337
1560243 CIFC38 H44 Au Cl O P2C 1 2/c 141.898; 15.2834; 11.6875
90; 93.097; 90
7473.1Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.
Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis
Chemical Science, 2021, 12, 4329-4337
1560244 CIFC41 H50 Au Cl O P2P -19.3045; 10.502; 18.6397
97.739; 91.819; 94.738
1796.94Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.
Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis
Chemical Science, 2021, 12, 4329-4337
1560245 CIFC38 H44 P2P 1 21/n 110.29027; 10.5467; 29.0177
90; 96.2428; 90
3130.57Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.
Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis
Chemical Science, 2021, 12, 4329-4337
1560246 CIFC45 H52 Au Cl P2P 1 21/c 111.24594; 18.3601; 18.9125
90; 95.9476; 90
3883.97Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.
Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis
Chemical Science, 2021, 12, 4329-4337
1560247 CIFC40 H48 Au Cl P2P 1 21/n 112.0432; 16.7764; 17.8978
90; 106.65; 90
3464.49Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.
Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis
Chemical Science, 2021, 12, 4329-4337
1560248 CIFC38 H41 Au Cl F3 P2P -111.01072; 17.1399; 18.8182
80.1354; 77.3539; 89.9789
3411.48Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.
Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis
Chemical Science, 2021, 12, 4329-4337
1560249 CIFC38 H44 O P2P c a 2111.3956; 15.6766; 18.1208
90; 90; 90
3237.18Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.
Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis
Chemical Science, 2021, 12, 4329-4337
1560250 CIFC44 H50 P2P -19.3576; 13.3096; 14.9346
93.442; 93.343; 107.914
1760.89Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.
Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis
Chemical Science, 2021, 12, 4329-4337
1560274 CIFC32 H40 K N O6P 1 21 19.4575; 13.1739; 12.1272
90; 101.138; 90
1482.49Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J.
Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions
Chemical Science, 2021, 12, 4405-4410
1560275 CIFC38 H50 N Na O6P 1 21/c 117.7615; 11.8703; 34.9201
90; 100.04; 90
7249.6Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J.
Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions
Chemical Science, 2021, 12, 4405-4410
1560276 CIFC32 H46 N Na O6P -111.6153; 11.6198; 12.645
104.751; 95.937; 99.774
1607.08Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J.
Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions
Chemical Science, 2021, 12, 4405-4410
1560277 CIFC26 H20 NP 1 21 19.8522; 7.7653; 12.2084
90; 95.841; 90
929.16Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J.
Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions
Chemical Science, 2021, 12, 4405-4410
1560278 CIFC64 H92 Li2 N2 O12P 1 21/c 111.6347; 18.1467; 31.5962
90; 95.756; 90
6637.3Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J.
Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions
Chemical Science, 2021, 12, 4405-4410
1560279 CIFC17.24 H19.73 N3 O4.75P -17.2814; 10.1224; 12.178
92.523; 106.963; 100.062
841.02Brownsey, Duncan K.; Rowley, Ben C.; Gorobets, Evgueni; Gelfand, Benjamin S.; Derksen, Darren J.
Rapid synthesis of pomalidomide-conjugates for the development of protein degrader libraries
Chemical Science, 2021, 12, 4519-4525
1560298 CIFC22 H21 B F2 N2 O2P c a 2112.6493; 9.244; 18.0005
90; 90; 90
2104.8Meazza, Marta; Cruz, Carlos M.; Ortuño, Ana M.; Cuerva, Juan M.; Crovetto, Luis; Rios, Ramon
Studying the reactivity of alkyl substituted BODIPYs: first enantioselective addition of BODIPY to MBH carbonates
Chemical Science, 2021, 12, 4503-4508
1560301 CIFC144 H124 N2 P8 Ru2 SP n a 2125.3115; 44.5483; 10.235
90; 90; 90
11540.8Tanaka, Yuya; Kato, Yuya; Sugimoto, Kaho; Kawano, Reo; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka
Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal‒metal interaction
Chemical Science, 2021, 12, 4338-4344
1560302 CIFC198 H178 P12 Ru3 S2 Si2P -112.3659; 17.9279; 20.5933
108.974; 100.29; 100.6
4101.7Tanaka, Yuya; Kato, Yuya; Sugimoto, Kaho; Kawano, Reo; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka
Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal‒metal interaction
Chemical Science, 2021, 12, 4338-4344
1560303 CIFC126 H116 P8 Ru2 S Si2P -110.107; 15.3835; 37.02
83.51; 89.395; 86.371
5707.5Tanaka, Yuya; Kato, Yuya; Sugimoto, Kaho; Kawano, Reo; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka
Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal‒metal interaction
Chemical Science, 2021, 12, 4338-4344
1560304 CIFC25 H14 O3 SP 1 21/m 17.5851; 43.318; 8.593
90; 100.325; 90
2777.7Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L.
Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry
Chemical Science, 2021, 12, 4841-4849
1560305 CIFC62 H41 B F24 N2 O3P -113.4502; 15.5304; 16.0826
106.612; 101.513; 105.375
2962.9Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L.
Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry
Chemical Science, 2021, 12, 4841-4849
1560306 CIFC70.5 H56 B Cl F24 N3 O3 PP -113.1828; 17.102; 17.4082
114.902; 105.306; 96.778
3313.7Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L.
Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry
Chemical Science, 2021, 12, 4841-4849
1560307 CIFC64 H50 B F24 O4 PP 1 21/c 119.596; 18.3533; 18.172
90; 108.476; 90
6198.7Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L.
Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry
Chemical Science, 2021, 12, 4841-4849
1560308 CIFC23 H20 B Cl2 F4 O3 PP 1 21/c 110.071; 18.5524; 13.0354
90; 111.106; 90
2272.16Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L.
Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry
Chemical Science, 2021, 12, 4841-4849
1560309 CIFC12 H8 N2 OP 1 21/c 114.2681; 3.9182; 17.1782
90; 109.954; 90
902.7Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.
Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones
Chemical Science, 2021, 12, 4850-4865
1560310 CIFC13 H11 N O2P 1 21/c 110.6358; 9.5636; 10.4269
90; 100.187; 90
1043.87Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.
Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones
Chemical Science, 2021, 12, 4850-4865
1560311 CIFC13 H11 N OP 1 21/c 110.8844; 9.9707; 9.168
90; 91.835; 90
994.45Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.
Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones
Chemical Science, 2021, 12, 4850-4865
1560312 CIFC14 H13 N O2P 1 21/c 111.6656; 9.4061; 10.7626
90; 97.797; 90
1170.04Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.
Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones
Chemical Science, 2021, 12, 4850-4865
1560313 CIFC23 H25 N O3C 1 2 121.9099; 6.5137; 14.4743
90; 115.663; 90
1861.93Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.
Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones
Chemical Science, 2021, 12, 4850-4865
1560314 CIFC10 H11 N SP -17.3211; 7.9973; 8.7918
69.178; 74.117; 83.714
462.72Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.
Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones
Chemical Science, 2021, 12, 4850-4865
1560315 CIFC13 H11 N O2P 1 21/n 112.1957; 7.1469; 12.4085
90; 105.197; 90
1043.72Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.
Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones
Chemical Science, 2021, 12, 4850-4865
1560367 CIFC35 H51 K Mn N3 O12P 1 21/c 19.4091; 15.768; 25.766
90; 94.907; 90
3808.7Yang, Yong; Ertem, Mehmed Z.; Duan, Lele
An amide-based second coordination sphere promotes the dimer pathway of Mn-catalyzed CO2-to-CO reduction at low overpotential
Chemical Science, 2021, 12, 4779-4788
1560368 CIFC16 H13 Br Mn N3 O4P 1 21/n 110.5955; 10.5011; 15.0027
90; 94.048; 90
1665.1Yang, Yong; Ertem, Mehmed Z.; Duan, Lele
An amide-based second coordination sphere promotes the dimer pathway of Mn-catalyzed CO2-to-CO reduction at low overpotential
Chemical Science, 2021, 12, 4779-4788
1560369 CIFC15 H11 Br Mn N3 O4P 1 21/c 110.65; 9.121; 16.456
90; 100.266; 90
1572.9Yang, Yong; Ertem, Mehmed Z.; Duan, Lele
An amide-based second coordination sphere promotes the dimer pathway of Mn-catalyzed CO2-to-CO reduction at low overpotential
Chemical Science, 2021, 12, 4779-4788
1560370 CIFC22 H20 N2 O9P 1 21 16.8601; 20.5081; 7.345
90; 92.708; 90
1032.2Yang, Jinghui; Xia, Yan
Mechanochemical generation of acid-degradable poly(enol ether)s
Chemical Science, 2021, 12, 4389-4394
1560371 CIFC9 H15 B F4 N6I 1 2/m 110.535; 6.4885; 18.7172
90; 92.323; 90
1278.39Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit
The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac
Chemical Science, 2021, 12, 3170-3178
1560372 CIFC9 H16 B2 F8 N6P -17.1669; 9.7427; 11.6885
90.304; 91.835; 105.407
786.33Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit
The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac
Chemical Science, 2021, 12, 3170-3178
1560373 CIFC22 H34 B4 F16 N14P -110.15; 11.83; 15.93
97.92; 92.65; 102.91
1841Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit
The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac
Chemical Science, 2021, 12, 3170-3178
1560374 CIFC42 H57 Ag4 B4 F15.987 N27P -111.052; 14.637; 21.244
85.032; 81.796; 77.855
3319.6Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit
The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac
Chemical Science, 2021, 12, 3170-3178
1560499 CIFC57 H43 Cl3 N6 NiP 1 21/c 19.4132; 16.3463; 31.8
90; 91.407; 90
4891.6Abid, Seifallah; Gisbert, Yohan; Kojima, Mitsuru; Saffon-Merceron, Nathalie; Cuny, Jérôme; Kammerer, Claire; Rapenne, Gwénaël
Desymmetrised pentaporphyrinic gears mounted on metallo-organic anchors
Chemical Science, 2021, 12, 4709-4721
1560500 CIFC127 H101 B Br4 N12 Ni Ru S3P -116.1291; 19.1492; 24.8626
75.72; 89.677; 66.509
6787.8Abid, Seifallah; Gisbert, Yohan; Kojima, Mitsuru; Saffon-Merceron, Nathalie; Cuny, Jérôme; Kammerer, Claire; Rapenne, Gwénaël
Desymmetrised pentaporphyrinic gears mounted on metallo-organic anchors
Chemical Science, 2021, 12, 4709-4721
1560501 CIFC28 H36 Br O3 PP 21 21 219.15691; 16.71291; 17.53844
90; 90; 90
2684.06Huang, Qiu-Hong; Zhou, Qian-Yi; Yang, Chen; Chen, Li; Cheng, Jin-Pei; Li, Xin
Access to P-stereogenic compounds via desymmetrizing enantioselective bromination
Chemical Science, 2021, 12, 4582-4587
1560502 CIFC22 H20 O4P 21 21 218.9798; 11.0389; 17.2809
90; 90; 90
1713.01Lu, Xiao-Long; Qiu, Yuanyou; Yang, Baochao; He, Haibing; Gao, Shuanhu
Asymmetric total synthesis of (+)-xestoquinone and (+)-adociaquinones A and B
Chemical Science, 2021, 12, 4747-4752
1560503 CIFC22 H20 O4P 21 21 219.1038; 11.1728; 17.3015
90; 90; 90
1759.82Lu, Xiao-Long; Qiu, Yuanyou; Yang, Baochao; He, Haibing; Gao, Shuanhu
Asymmetric total synthesis of (+)-xestoquinone and (+)-adociaquinones A and B
Chemical Science, 2021, 12, 4747-4752
1560504 CIFC26 H32 Cl2 O5P 21 21 217.4407; 11.6989; 28.3425
90; 90; 90
2467.16Lu, Xiao-Long; Qiu, Yuanyou; Yang, Baochao; He, Haibing; Gao, Shuanhu
Asymmetric total synthesis of (+)-xestoquinone and (+)-adociaquinones A and B
Chemical Science, 2021, 12, 4747-4752
1560527 CIFC40 H52 B20P 32 2 111.3287; 11.3287; 29.3678
90; 90; 120
3264.1Zhang, Jie; Xie, Zuowei
Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics
Chemical Science, 2021, 12, 5616-5620
1560528 CIFC18 H38 B20 Cl2C 1 2/c 133.909; 13.6784; 13.6791
90; 108.58; 90
6014Zhang, Jie; Xie, Zuowei
Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics
Chemical Science, 2021, 12, 5616-5620
1560529 CIFC22 H46 B20 Cl2P 21 21 2111.7538; 12.8616; 21.8976
90; 90; 90
3310.3Zhang, Jie; Xie, Zuowei
Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics
Chemical Science, 2021, 12, 5616-5620
1560530 CIFC44 H60 B20P 1 21/n 111.4361; 19.1205; 21.4742
90; 94.001; 90
4684.2Zhang, Jie; Xie, Zuowei
Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics
Chemical Science, 2021, 12, 5616-5620
1560531 CIFC27 H54.5 B20 O0.25P -113.3453; 16.5248; 18.4539
82.5401; 78.3148; 83.5363
3935.9Zhang, Jie; Xie, Zuowei
Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics
Chemical Science, 2021, 12, 5616-5620
1560532 CIFC30 H60 B20C 1 2/c 124.2513; 10.403; 18.2107
90; 120.094; 90
3975Zhang, Jie; Xie, Zuowei
Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics
Chemical Science, 2021, 12, 5616-5620
1560533 CIFC22 H48 B20P 21 21 2110.3911; 13.0014; 24.381
90; 90; 90
3293.8Zhang, Jie; Xie, Zuowei
Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics
Chemical Science, 2021, 12, 5616-5620
1560534 CIFC26 H56 B20P 1 21/n 113.3754; 13.4901; 19.9071
90; 91.104; 90
3591.3Zhang, Jie; Xie, Zuowei
Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics
Chemical Science, 2021, 12, 5616-5620
1560535 CIFC24 H54 B20P 1 21/n 113.2519; 11.98; 21.8685
90; 105.683; 90
3342.5Zhang, Jie; Xie, Zuowei
Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics
Chemical Science, 2021, 12, 5616-5620
1560536 CIFC26 H62 B20 Si2P -111.326; 12.468; 15.493
108.096; 95.522; 104.001
1982.7Zhang, Jie; Xie, Zuowei
Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics
Chemical Science, 2021, 12, 5616-5620
1560537 CIFC38 H59 B20P -111.6972; 13.3199; 15.5282
75.8963; 79.1092; 66.3809
2138.51Zhang, Jie; Xie, Zuowei
Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics
Chemical Science, 2021, 12, 5616-5620
1560538 CIFC27 H48 B20P 1 21/c 111.0591; 17.981; 17.9274
90; 92.3086; 90
3562Zhang, Jie; Xie, Zuowei
Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics
Chemical Science, 2021, 12, 5616-5620
1560539 CIFC14 H30 B10P 1 21/c 111.1066; 27.939; 12.8423
90; 90.244; 90
3985Zhang, Jie; Xie, Zuowei
Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics
Chemical Science, 2021, 12, 5616-5620
1560599 CIFC30 H18 N4 SR -3 :H25.7763; 25.7763; 17.9852
90; 90; 120
10348.7Liu, Tiantian; Chen, Xiaojie; Zhao, Juan; Wei, Weichun; Mao, Zhu; Wu, William; Jiao, Shibo; Liu, Yang; Yang, Zhiyong; Chi, Zhenguo
Hybridized local and charge-transfer excited state fluorophores enabling organic light-emitting diodes with record high efficiencies close to 20%
Chemical Science, 2021, 12, 5171-5176
1560600 CIFC47 H52 Cl2 N4 SP -110.6634; 10.9432; 18.341
88.604; 83.994; 82.942
2112.2Liu, Tiantian; Chen, Xiaojie; Zhao, Juan; Wei, Weichun; Mao, Zhu; Wu, William; Jiao, Shibo; Liu, Yang; Yang, Zhiyong; Chi, Zhenguo
Hybridized local and charge-transfer excited state fluorophores enabling organic light-emitting diodes with record high efficiencies close to 20%
Chemical Science, 2021, 12, 5171-5176
1560601 CIFC64 H72 N4 SP -112.041; 15.9608; 16.4529
114.757; 104.294; 93.279
2735.8Liu, Tiantian; Chen, Xiaojie; Zhao, Juan; Wei, Weichun; Mao, Zhu; Wu, William; Jiao, Shibo; Liu, Yang; Yang, Zhiyong; Chi, Zhenguo
Hybridized local and charge-transfer excited state fluorophores enabling organic light-emitting diodes with record high efficiencies close to 20%
Chemical Science, 2021, 12, 5171-5176
1560602 CIFC29 H23 F O5P 1 21 19.9631; 9.1494; 13.3605
90; 102.001; 90
1191.28Zheng, Haifeng; Wang, Rui; Wang, Kan; Wherritt, Daniel; Arman, Hadi; Doyle, Michael P.
Formal [4 + 4]-, [4 + 3]-, and [4 + 2]-cycloaddition reactions of donor‒acceptor cyclobutenes, cyclopropenes and siloxyalkynes induced by Brønsted acid catalysis
Chemical Science, 2021, 12, 4819-4824
1560603 CIFC15 H15 F O2P 1 21/n 17.3867; 19.0785; 9.3357
90; 111.972; 90
1220.09Zheng, Haifeng; Wang, Rui; Wang, Kan; Wherritt, Daniel; Arman, Hadi; Doyle, Michael P.
Formal [4 + 4]-, [4 + 3]-, and [4 + 2]-cycloaddition reactions of donor‒acceptor cyclobutenes, cyclopropenes and siloxyalkynes induced by Brønsted acid catalysis
Chemical Science, 2021, 12, 4819-4824
1560604 CIFC28 H20 F N O4P 1 21/c 112.28538; 20.3181; 8.91344
90; 99.0372; 90
2197.31Zheng, Haifeng; Wang, Rui; Wang, Kan; Wherritt, Daniel; Arman, Hadi; Doyle, Michael P.
Formal [4 + 4]-, [4 + 3]-, and [4 + 2]-cycloaddition reactions of donor‒acceptor cyclobutenes, cyclopropenes and siloxyalkynes induced by Brønsted acid catalysis
Chemical Science, 2021, 12, 4819-4824
1560621 CIFC56.08 H50 Cl12.16 N4 Ni SbP -19.2156; 20.0257; 21.5606
114.68; 94.469; 98.787
3528.32Miyagawa, Kazuya; Hisaki, Ichiro; Fukui, Norihito; Shinokubo, Hiroshi
Redox-induced reversible [2 + 2] cycloaddition of an etheno-fused diporphyrin
Chemical Science, 2021, 12, 5224-5229
1560622 CIFC254 H248 N16 Ni4P -121.0654; 22.4572; 25.0542
104.279; 98.423; 111.649
10298.3Miyagawa, Kazuya; Hisaki, Ichiro; Fukui, Norihito; Shinokubo, Hiroshi
Redox-induced reversible [2 + 2] cycloaddition of an etheno-fused diporphyrin
Chemical Science, 2021, 12, 5224-5229
1560717 CIFC17.5 H29 N9 Ni O0.5 S2P 1 21/n 114.8018; 16.4349; 19.1348
90; 102.494; 90
4544.6Rubín-Osanz, Marcos; Lambert, François; Shao, Feng; Rivière, Eric; Guillot, Régis; Suaud, Nicolas; Guihéry, Nathalie; Zueco, David; Barra, Anne-Laure; Mallah, Talal; Luis, Fernando
Chemical tuning of spin clock transitions in molecular monomers based on nuclear spin-free Ni(ii)
Chemical Science, 2021, 12, 5123-5133
1560718 CIFC38 H38 Cl6 N8 S6P -110.2559; 15.7584; 16.1989
67.534; 71.56; 75.75
2271.55Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Maaliki, Carine; Jacquemin, Johan; Huang, Feihe; Khashab, Niveen M.
Selective adsorptive separation of cyclohexane over benzene using thienothiophene cages
Chemical Science, 2021, 12, 5315-5318
1560719 CIFC45 H45 N8 S6P 1 21/n 112.8314; 15.7916; 21.178
90; 92.517; 90
4287.12Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Maaliki, Carine; Jacquemin, Johan; Huang, Feihe; Khashab, Niveen M.
Selective adsorptive separation of cyclohexane over benzene using thienothiophene cages
Chemical Science, 2021, 12, 5315-5318
1560720 CIFC42 H48 N8 S6P c a 2114.1011; 14.1412; 41.847
90; 90; 90
8344.6Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Maaliki, Carine; Jacquemin, Johan; Huang, Feihe; Khashab, Niveen M.
Selective adsorptive separation of cyclohexane over benzene using thienothiophene cages
Chemical Science, 2021, 12, 5315-5318
1560726 CIFC6 H14 Cl N2 Na O6P 1 2/n 19.1493; 10.1833; 13.22
90; 108.244; 90
1169.8Prakash, Prabhat; Ardhra, Shylendran; Fall, Birane; Zdilla, Michael J.; Wunder, Stephanie L.; Venkatnathan, Arun
Solvate sponge crystals of (DMF)3NaClO4: reversible pressure/temperature controlled juicing in a melt/press-castable sodium-ion conductor
Chemical Science, 2021, 12, 5574-5581
1560727 CIFC130 H93 Br4 Co F12 N27 Ni4 O12 S4P 1 21/c 131.1965; 18.5947; 28.7563
90; 110.013; 90
15673.9Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.
Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages
Chemical Science, 2021, 12, 5134-5142
1560728 CIFC154 H126 Cl4 F18 N38 Ni5 O18 S6C 1 2/c 131.8614; 20.267; 26.4739
90; 114.773; 90
15521.9Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.
Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages
Chemical Science, 2021, 12, 5134-5142
1560729 CIFC126 H84 Cl4 F18 Mn N24 Ni4 O18 S6C 1 2/c 132.5915; 19.6893; 26.8651
90; 116.807; 90
15386.7Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.
Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages
Chemical Science, 2021, 12, 5134-5142
1560730 CIFC147.5 H124 Br2 F24 Fe0.5 N24 Ni4 O29 S7.5C 1 2/c 131.3026; 20.566; 26.4213
90; 112.812; 90
15678.8Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.
Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages
Chemical Science, 2021, 12, 5134-5142
1560731 CIFC126 H84 Br4 Cu F18 N24 Ni4 O18 S6C 1 2/c 133.6581; 19.3004; 27.7984
90; 119.638; 90
15695.6Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.
Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages
Chemical Science, 2021, 12, 5134-5142
1560732 CIFC132 H88 F24 N26 Ni4 O24 S8C 1 2/c 131.7631; 20.376; 26.2656
90; 114.263; 90
15497.7Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.
Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages
Chemical Science, 2021, 12, 5134-5142
1560733 CIFC151 H120 Cl4 F21 Fe N36 Ni4 O21 S7C 1 2/c 131.6627; 20.3859; 26.5585
90; 114.491; 90
15600.4Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.
Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages
Chemical Science, 2021, 12, 5134-5142
1560734 CIFC138 H105 Cl4 Co F18 N28 Ni4 O19 S6P 1 21/n 120.4016; 29.7181; 26.8106
90; 91.1568; 90
16251.9Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.
Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages
Chemical Science, 2021, 12, 5134-5142
1560749 CIFC68 H65 Dy O P4 S4P -111.2686; 12.7447; 21.7296
89.265; 88.319; 83.122
3096.8Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.
Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes
Chemical Science, 2021, 12, 3911-3920
1560750 CIFC54 H49 O P4 S4 YP 1 21/n 110.8536; 22.5853; 21.0093
90; 99.013; 90
5086.5Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.
Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes
Chemical Science, 2021, 12, 3911-3920
1560751 CIFC116 H120 Dy2 K2 O8 P8 S8P -113.521; 20.9074; 22.2017
71.645; 79.408; 84.373
5849.94Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.
Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes
Chemical Science, 2021, 12, 3911-3920
1560752 CIFC76 H92 K N2 O8 P4 S4 YP -111.9072; 12.5346; 26.216
81.43; 83.556; 84.318
3831.2Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.
Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes
Chemical Science, 2021, 12, 3911-3920
1560753 CIFC116 H120 K2 O8 P8 S8 Y2P -113.4728; 20.8633; 22.1735
71.523; 79.315; 84.386
5803.8Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.
Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes
Chemical Science, 2021, 12, 3911-3920
1560754 CIFC93 H116 Dy K N4 O7 P4 Si4P 1 21/n 113.23949; 23.5137; 30.0645
90; 97.5329; 90
9278.6Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.
Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes
Chemical Science, 2021, 12, 3911-3920
1560755 CIFC62 H70 Dy Na O6 P4 S4P 1 21/c 114.1523; 30.8391; 15.6028
90; 110.56; 90
6376Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.
Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes
Chemical Science, 2021, 12, 3911-3920
1560756 CIFC62 H70 Gd Na O6 P4 S4P 1 21/c 114.1998; 30.9404; 15.6211
90; 110.508; 90
6428.1Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.
Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes
Chemical Science, 2021, 12, 3911-3920
1560757 CIFC72 H84 Dy K N2 O7 P4 S4P -115.0677; 15.8625; 17.3285
97.435; 91.979; 116.19
3665.66Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.
Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes
Chemical Science, 2021, 12, 3911-3920
1560758 CIFC62 H70 Na O6 P4 S4 YP 1 21/c 114.155; 30.9664; 15.632
90; 110.731; 90
6408.3Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.
Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes
Chemical Science, 2021, 12, 3911-3920
1560759 CIFC26 H24 F6 N2 O6 Pd2P 1 21/n 117.9432; 15.8649; 21.6563
90; 114.273; 90
5619.8Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András
The ortho effect in directed C‒H activation
Chemical Science, 2021, 12, 5152-5163
1560760 CIFC35 H30 F6 N2 O7 Pd2F d d 237.712; 13.024; 15.254
90; 90; 90
7492Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András
The ortho effect in directed C‒H activation
Chemical Science, 2021, 12, 5152-5163
1560761 CIFC33 H26 F6 N2 O7 Pd2P 1 21/c 119.2535; 8.0799; 21.9245
90; 93.765; 90
3403.4Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András
The ortho effect in directed C‒H activation
Chemical Science, 2021, 12, 5152-5163
1560762 CIFC34 H26 F6 N2 O8 Pd2C 1 2/c 132.598; 12.5843; 22.685
90; 128.447; 90
7288.2Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András
The ortho effect in directed C‒H activation
Chemical Science, 2021, 12, 5152-5163
1560763 CIFC37 H34 F6 N2 O7 Pd2F d d 237.337; 13.419; 15.197
90; 90; 90
7614Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András
The ortho effect in directed C‒H activation
Chemical Science, 2021, 12, 5152-5163
1560764 CIFC17 H14 F3 N O4 PdC 1 2/c 120.9754; 13.1973; 15.3039
90; 125.008; 90
3469.9Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András
The ortho effect in directed C‒H activation
Chemical Science, 2021, 12, 5152-5163
1560765 CIFC42 H26 N2P 1 21/c 113.9636; 12.6503; 17.3356
90; 103.979; 90
2971.5Dhbaibi, Kais; Abella, Laura; Meunier-Della-Gatta, Sylvia; Roisnel, Thierry; Vanthuyne, Nicolas; Jamoussi, Bassem; Pieters, Grégory; Racine, Benoît; Quesnel, Etienne; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic
Achieving high circularly polarized luminescence with push‒pull helicenic systems: from rationalized design to top-emission CP-OLED applications
Chemical Science, 2021, 12, 5522-5533
1560766 CIFC42 H22 N2 O4C 1 2/c 118.9074; 9.4843; 18.9118
90; 97.294; 90
3363.9Dhbaibi, Kais; Abella, Laura; Meunier-Della-Gatta, Sylvia; Roisnel, Thierry; Vanthuyne, Nicolas; Jamoussi, Bassem; Pieters, Grégory; Racine, Benoît; Quesnel, Etienne; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic
Achieving high circularly polarized luminescence with push‒pull helicenic systems: from rationalized design to top-emission CP-OLED applications
Chemical Science, 2021, 12, 5522-5533

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