Crystallography Open Database

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1549179 CIFC29 H17 Eu Na2 O14 S2P n m a26.6907; 22.7441; 5.7141
90; 90; 90
3468.8Wang, Xia; Wang, Yanlong; Silver, Mark A.; Gui, Daxiang; Bai, Zhuanling; Wang, Yaxing; Liu, Wei; Chen, Lanhua; Diwu, Juan; Chai, Zhifang; Wang, Shuao
Superprotonic conduction through one-dimensional ordered alkali metal ion chains in a lanthanide-organic framework.
Chemical communications (Cambridge, England), 2018, 54, 4429-4432
1549184 CIFC7 H15 I3 N2 PbP 63/m m c10.4821; 10.4821; 8.1053
90; 90; 120
771.25Xue, Chen; Yao, Zhi-Yuan; Zhang, Jin; Liu, Wen-Long; Liu, Jian-Lan; Ren, Xiao-Ming
Extra thermo- and water-stable one-dimensional organic-inorganic hybrid perovskite [N-methyldabconium]PbI<sub>3</sub> showing switchable dielectric behaviour, conductivity and bright yellow-green emission.
Chemical communications (Cambridge, England), 2018, 54, 4321-4324
1549185 CIFC7 H15 I3 N2 PbP b c a18.6221; 8.0211; 20.4046
90; 90; 90
3047.83Xue, Chen; Yao, Zhi-Yuan; Zhang, Jin; Liu, Wen-Long; Liu, Jian-Lan; Ren, Xiao-Ming
Extra thermo- and water-stable one-dimensional organic-inorganic hybrid perovskite [N-methyldabconium]PbI<sub>3</sub> showing switchable dielectric behaviour, conductivity and bright yellow-green emission.
Chemical communications (Cambridge, England), 2018, 54, 4321-4324
1549186 CIFC25 H20 F3 I2 N7 O3 SP 1 21/c 114.2649; 8.5985; 22.85
90; 95.1; 90
2791.6Dreger, Alexander; Engelage, Elric; Mallick, Bert; Beer, Paul D.; Huber, Stefan M.
The role of charge in 1,2,3-triazol(ium)-based halogen bonding activators.
Chemical communications (Cambridge, England), 2018, 54, 4013-4016
1549187 CIFC33 H37 Br I2 N8P 1 21/c 115.479; 16.978; 13.102
90; 99.204; 90
3399Dreger, Alexander; Engelage, Elric; Mallick, Bert; Beer, Paul D.; Huber, Stefan M.
The role of charge in 1,2,3-triazol(ium)-based halogen bonding activators.
Chemical communications (Cambridge, England), 2018, 54, 4013-4016
1549218 CIFC55 H49 B Cl Ir N2P 1 21/n 120.4266; 9.3782; 24.537
90; 108.456; 90
4458.7Zhang, Hairong; Guo, Lihua; Tian, Zhenzhen; Tian, Meng; Zhang, Shumiao; Xu, Zhishan; Gong, Peiwei; Zheng, Xiaofeng; Zhao, Jia; Liu, Zhe
Significant effects of counteranions on the anticancer activity of iridium(iii) complexes.
Chemical communications (Cambridge, England), 2018, 54, 4421-4424
1549219 CIFC30 H28 Cl F6 O PP -17.1352; 13.528; 14.6245
70.019; 86.507; 89.808
1323.96Shyshov, Oleksandr; Siewerth, Kevin Andre; von Delius, Max
Evidence for anion-binding of all-cis hexafluorocyclohexane in solution and solid state.
Chemical communications (Cambridge, England), 2018, 54, 4353-4355
1549257 CIFC28 H76 B2 O2 Pb Si8C 1 2/c 125.147; 18.137; 23.271
90; 118.845; 90
9297Someşan, Adrian-Alexandru; Le Coz, Erwann; Roisnel, Thierry; Silvestru, Cristian; Sarazin, Yann
Stable lead(ii) boroxides.
Chemical communications (Cambridge, England), 2018, 54, 5299-5302
1549258 CIFC28 H76 B2 O2 Si8 SnC 1 2/c 125.1738; 18.1907; 24.6824
90; 123.917; 90
9379.6Someşan, Adrian-Alexandru; Le Coz, Erwann; Roisnel, Thierry; Silvestru, Cristian; Sarazin, Yann
Stable lead(ii) boroxides.
Chemical communications (Cambridge, England), 2018, 54, 5299-5302
1549259 CIFC18 H6 F36 O7 Pb4P 1 21/c 118.87; 10.1801; 19.4987
90; 90.176; 90
3745.7Someşan, Adrian-Alexandru; Le Coz, Erwann; Roisnel, Thierry; Silvestru, Cristian; Sarazin, Yann
Stable lead(ii) boroxides.
Chemical communications (Cambridge, England), 2018, 54, 5299-5302
1549260 CIFC15 H30 N2 Pb Si2P -18.9054; 10.6022; 12.4223
103.574; 110.985; 103.843
994.7Someşan, Adrian-Alexandru; Le Coz, Erwann; Roisnel, Thierry; Silvestru, Cristian; Sarazin, Yann
Stable lead(ii) boroxides.
Chemical communications (Cambridge, England), 2018, 54, 5299-5302
1549261 CIFC23 H50 B N O Pb Si4P 1 21/n 19.1319; 18.6282; 18.929
90; 102.613; 90
3142.3Someşan, Adrian-Alexandru; Le Coz, Erwann; Roisnel, Thierry; Silvestru, Cristian; Sarazin, Yann
Stable lead(ii) boroxides.
Chemical communications (Cambridge, England), 2018, 54, 5299-5302
1549357 CIFC37 H54 Ir N P2P -19.1192; 10.6683; 17.8231
93.18; 92.823; 95.767
1719.89Kumar, Amit; Feller, Moran; Ben-David, Yehoshoa; Diskin-Posner, Yael; Milstein, David
Formal oxidative addition of a C-H bond by a 16e iridium(i) complex involves metal-ligand cooperation.
Chemical communications (Cambridge, England), 2018, 54, 5365-5368
1549704 CIFC14 H26 N O4 SbP b c a8.0941; 43.971; 8.3622
90; 90; 90
2976.2Moaven, Shiva; Yu, Jingze; Vega, Maythe; Unruh, Daniel K.; Cozzolino, Anthony F.
Self-assembled reversed bilayers directed by pnictogen bonding to form vesicles in solution.
Chemical communications (Cambridge, England), 2018, 54, 8849-8852
1550040 CIFC138 H148 Br8 Cl4 N12 Zn2P -117.6822; 17.7483; 25.194
78.121; 77.607; 60.899
6699.7Sánchez-Roa, David; Santiago, Tomás G; Fernández-Millán, Maria; Cuenca, Tomás; Palma, Pilar; Cámpora, Juan; Mosquera, Marta E. G.
Interaction of an imidazolium-2-amidinate (NHC-CDI) zwitterion with zinc dichloride in dichloromethane: role as ligands and C-Cl activation promoters.
Chemical communications (Cambridge, England), 2018, 54, 12586-12589
1550041 CIFC33 H42 Cl10 N4C 1 2/c 116.0787; 21.553; 24.176
90; 94.498; 90
8352.2Sánchez-Roa, David; Santiago, Tomás G; Fernández-Millán, Maria; Cuenca, Tomás; Palma, Pilar; Cámpora, Juan; Mosquera, Marta E. G.
Interaction of an imidazolium-2-amidinate (NHC-CDI) zwitterion with zinc dichloride in dichloromethane: role as ligands and C-Cl activation promoters.
Chemical communications (Cambridge, England), 2018, 54, 12586-12589
1550042 CIFC64 H80 Cl12 N8 Zn2P b c a21.712; 13.037; 54.215
90; 90; 90
15346Sánchez-Roa, David; Santiago, Tomás G; Fernández-Millán, Maria; Cuenca, Tomás; Palma, Pilar; Cámpora, Juan; Mosquera, Marta E. G.
Interaction of an imidazolium-2-amidinate (NHC-CDI) zwitterion with zinc dichloride in dichloromethane: role as ligands and C-Cl activation promoters.
Chemical communications (Cambridge, England), 2018, 54, 12586-12589
1550043 CIFC74 H102 Cl28 N8P -112.838; 15.476; 27.491
98.93; 92.92; 110.32
5027Sánchez-Roa, David; Santiago, Tomás G; Fernández-Millán, Maria; Cuenca, Tomás; Palma, Pilar; Cámpora, Juan; Mosquera, Marta E. G.
Interaction of an imidazolium-2-amidinate (NHC-CDI) zwitterion with zinc dichloride in dichloromethane: role as ligands and C-Cl activation promoters.
Chemical communications (Cambridge, England), 2018, 54, 12586-12589
7120917 CIFC21 H17 N3 OP 1 21/n 15.9781; 12.919; 22.346
90; 92.713; 90
1723.9Zhai, Shengxian; Qiu, Shuxian; Chen, Xiaoming; Wu, Jiang; Zhao, Hua; Tao, Cheng; Li, Yun; Cheng, Bin; Wang, Huifei; Zhai, Hongbin
2-(1-Methylhydrazinyl)pyridine as a reductively removable directing group in a cobalt-catalyzed C(sp<sup>2</sup>)-H bond alkenylation/annulation cascade.
Chemical communications (Cambridge, England), 2017, 54, 98-101
7120918 CIFC27 H21 N3 OP 1 21/c 111.047; 20.569; 10.343
90; 114.101; 90
2145Zhai, Shengxian; Qiu, Shuxian; Chen, Xiaoming; Wu, Jiang; Zhao, Hua; Tao, Cheng; Li, Yun; Cheng, Bin; Wang, Huifei; Zhai, Hongbin
2-(1-Methylhydrazinyl)pyridine as a reductively removable directing group in a cobalt-catalyzed C(sp<sup>2</sup>)-H bond alkenylation/annulation cascade.
Chemical communications (Cambridge, England), 2017, 54, 98-101
7120920 CIFC48 H104 Cl12 Co6 N6 S12P 1 21/c 129.8732; 7.1198; 20.6123
90; 108.276; 90
4162.9Midya, Siba P.; Landge, Vinod G.; Sahoo, Manoj K.; Rana, Jagannath; Balaraman, Ekambaram
Cobalt-catalyzed acceptorless dehydrogenative coupling of aminoalcohols with alcohols: direct access to pyrrole, pyridine and pyrazine derivatives.
Chemical communications (Cambridge, England), 2017, 54, 90-93
7120924 CIFC33 H30 N2 O5 SP -111.4008; 12.9855; 13.2123
64.982; 66.895; 83.284
1627.5Shen, Zheng-Jia; Wu, Ya-Nan; He, Chun-Lan; He, Long; Hao, Wen-Juan; Wang, Ai-Fang; Tu, Shu-Jiang; Jiang, Bo
Stereoselective synthesis of sulfonated 1-indenones via radical-triggered multi-component cyclization of β-alkynyl propenones.
Chemical communications (Cambridge, England), 2018, 54, 445-448
7120925 CIFC31 H25 Br0.5 Cl0.5 O3 S SeP -19.9091; 12.336; 13.1036
108.864; 96.264; 113.226
1340.3Shen, Zheng-Jia; Wu, Ya-Nan; He, Chun-Lan; He, Long; Hao, Wen-Juan; Wang, Ai-Fang; Tu, Shu-Jiang; Jiang, Bo
Stereoselective synthesis of sulfonated 1-indenones via radical-triggered multi-component cyclization of β-alkynyl propenones.
Chemical communications (Cambridge, England), 2018, 54, 445-448
7120932 CIFC68 H64 N4 O20 Rh2 S4P 1 21/n 19.8868; 27.3918; 12.3432
90; 102.369; 90
3265.2Chinapang, Pondchanok; Okamura, Masaya; Itoh, Takahiro; Kondo, Mio; Masaoka, Shigeyuki
Development of a framework catalyst for photocatalytic hydrogen evolution.
Chemical communications (Cambridge, England), 2018, 54, 1174-1177
7120933 CIFC27 H26 B N3 O2P 1 c 118.721; 6.531; 23.84
90; 128.652; 90
2276.4Sun, Qikun; Tang, Liangliang; Zhang, Zhenzhen; Zhang, Kai; Xie, Zongliang; Chi, Zhenguo; Zhang, Haichang; Yang, Wenjun
Bright NUV mechanofluorescence from a terpyridine-based pure organic crystal.
Chemical communications (Cambridge, England), 2017, 54, 94-97
7120934 CIFC31.5 H13.5 N1.5 O13 Zn4R -3 :H19.093; 19.093; 19.869
90; 90; 120
6273Zhou, Hui-Fang; Liu, Bo; Hou, Lei; Zhang, Wen-Yan; Wang, Yao-Yu
Rational construction of a stable Zn<sub>4</sub>O-based MOF for highly efficient CO<sub>2</sub> capture and conversion.
Chemical communications (Cambridge, England), 2018, 54, 456-459
7120935 CIFC18 H13 F O2P 1 21 19.499; 6.1878; 11.9593
90; 103.735; 90
682.84Zhou, Peng; Wang, Jia-Yin; Zhang, Tian-Shu; Li, Guigen; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo
Thiazolium salt-catalyzed C-C triple bond cleavage for accessing substituted 1-naphthols via benzannulation.
Chemical communications (Cambridge, England), 2017, 54, 164-167
7120936 CIFC17 H12 Cl N O2P 1 21/c 19.3531; 10.7592; 14.2252
90; 98.868; 90
1414.4Zhou, Peng; Wang, Jia-Yin; Zhang, Tian-Shu; Li, Guigen; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo
Thiazolium salt-catalyzed C-C triple bond cleavage for accessing substituted 1-naphthols via benzannulation.
Chemical communications (Cambridge, England), 2017, 54, 164-167
7120937 CIFC48 H48 B4 F16 N12 S4 Zn2P -19.909; 12.3948; 14.9001
101.753; 96.938; 111.945
1622.3Hogue, Ross W.; Lepper, Christopher P.; Jameson, Geoffrey B.; Brooker, Sally
Manipulating and quantifying spin states in solution as a function of pressure and temperature.
Chemical communications (Cambridge, England), 2018, 54, 172-175
7120938 CIFC16 H18 O2P n a 2116.3031; 6.109; 26.0729
90; 90; 90
2596.7Liu, Lin; Cheng, Hai-Long; Ma, Wen-Qiang; Hou, Si-Hua; Tu, Yong-Qiang; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua
Improved synthesis of 8-oxabicyclo[3.2.1]octanes via tandem C-H oxidation/oxa-[3,3] Cope rearrangement/aldol cyclization.
Chemical communications (Cambridge, England), 2018, 54, 196-199
7120939 CIFC31 H27 Br O7P 1 21/c 120.5026; 10.6536; 12.2454
90; 90.321; 90
2674.7Zheng, Yang; Bao, Ming; Yao, Ruwei; Qiu, Lihua; Xu, Xinfang
Palladium-catalyzed carbene/alkyne metathesis with enynones as carbene precursors: synthesis of fused polyheterocycles.
Chemical communications (Cambridge, England), 2018, 54, 350-353
7120940 CIFC58 H79 Cl3 O3 S12P -19.9099; 17.0949; 19.824
111.191; 99.814; 94.463
3049.7Shivakumar, Kilingaru I.; Goudappagouda, ?; Gonnade, Rajesh G.; Babu, Sukumaran Santhosh; Sanjayan, Gangadhar J.
Conducting nanofibres of solvatofluorochromic cyclohexanetrione-dithiolylidene-based C<sub>3</sub> symmetric molecule.
Chemical communications (Cambridge, England), 2018, 54, 212-215
7120941 CIFC17 H17 Cl O6P 418.9035; 8.9035; 19.5908
90; 90; 90
1553.01Su, Yuan; Xu, Jia; Shi, Qin; Yu, Lian; Cai, Ting
Polymorphism of griseofulvin: concomitant crystallization from the melt and a single crystal structure of a metastable polymorph with anomalously large thermal expansion.
Chemical communications (Cambridge, England), 2018, 54, 358-361
7120942 CIFC17 H17 Cl O6P 418.9799; 8.9799; 19.914
90; 90; 90
1605.8Su, Yuan; Xu, Jia; Shi, Qin; Yu, Lian; Cai, Ting
Polymorphism of griseofulvin: concomitant crystallization from the melt and a single crystal structure of a metastable polymorph with anomalously large thermal expansion.
Chemical communications (Cambridge, England), 2018, 54, 358-361
7120943 CIFC17 H17 Cl O6P 21 21 2111.6359; 11.951; 23.629
90; 90; 90
3285.9Su, Yuan; Xu, Jia; Shi, Qin; Yu, Lian; Cai, Ting
Polymorphism of griseofulvin: concomitant crystallization from the melt and a single crystal structure of a metastable polymorph with anomalously large thermal expansion.
Chemical communications (Cambridge, England), 2018, 54, 358-361
7120944 CIFC17 H17 Cl N0 O6P 21 21 2111.5984; 11.9524; 23.3284
90; 90; 90
3234Su, Yuan; Xu, Jia; Shi, Qin; Yu, Lian; Cai, Ting
Polymorphism of griseofulvin: concomitant crystallization from the melt and a single crystal structure of a metastable polymorph with anomalously large thermal expansion.
Chemical communications (Cambridge, England), 2018, 54, 358-361
7120945 CIFC17 H17 Cl O6P 21 21 2111.799; 12.007; 24.359
90; 90; 90
3451Su, Yuan; Xu, Jia; Shi, Qin; Yu, Lian; Cai, Ting
Polymorphism of griseofulvin: concomitant crystallization from the melt and a single crystal structure of a metastable polymorph with anomalously large thermal expansion.
Chemical communications (Cambridge, England), 2018, 54, 358-361
7120946 CIFC17 H17 Cl O6P 418.9144; 8.9144; 19.6524
90; 90; 90
1561.71Su, Yuan; Xu, Jia; Shi, Qin; Yu, Lian; Cai, Ting
Polymorphism of griseofulvin: concomitant crystallization from the melt and a single crystal structure of a metastable polymorph with anomalously large thermal expansion.
Chemical communications (Cambridge, England), 2018, 54, 358-361
7120947 CIFC29 H42 Cd N2P 1 21/n 112.5364; 15.9813; 14.0907
90; 105.609; 90
2718.93Webb, D. J.; Fitchett, C. M.; Lein, M.; Fulton, J. R.
Carbodiimides as catalysts for the reduction of a cadmium hydride complex.
Chemical communications (Cambridge, England), 2018, 54, 460-462
7120948 CIFC58 H82 Cd2 N4P 1 21/c 114.4118; 14.2417; 26.8111
90; 94.817; 90
5483.5Webb, D. J.; Fitchett, C. M.; Lein, M.; Fulton, J. R.
Carbodiimides as catalysts for the reduction of a cadmium hydride complex.
Chemical communications (Cambridge, England), 2018, 54, 460-462
7120949 CIFC23 H20 O3P 1 21 19.2479; 10.441; 9.4838
90; 99.49; 90
903.2Wang, Chang; Gao, Zhenzhen; Zhou, Leijie; Wang, Qijun; Wu, Yang; Yuan, Chunhao; Liao, Jianning; Xiao, Yumei; Guo, Hongchao
Multifunctional chiral phosphine-catalyzed [3+2] annulation of Morita-Baylis-Hillman carbonates with cyclopentenones: asymmetric synthesis of 4-oxo-hexahydropentalenes.
Chemical communications (Cambridge, England), 2018, 54, 279-282
7120950 CIFC23 H22 O3P 1 21 19.139; 10.409; 9.569
90; 99.93; 90
896.6Wang, Chang; Gao, Zhenzhen; Zhou, Leijie; Wang, Qijun; Wu, Yang; Yuan, Chunhao; Liao, Jianning; Xiao, Yumei; Guo, Hongchao
Multifunctional chiral phosphine-catalyzed [3+2] annulation of Morita-Baylis-Hillman carbonates with cyclopentenones: asymmetric synthesis of 4-oxo-hexahydropentalenes.
Chemical communications (Cambridge, England), 2018, 54, 279-282
7120951 CIFC15 H43 B10 N3 Si3P -110.6876; 11.0288; 13.7644
92.855; 95.797; 111.682
1493.3Wang, Hao; Chan, Tek Long; Xie, Zuowei
Cyclic amino(carboranyl) silylene: synthesis, structure and reactivity.
Chemical communications (Cambridge, England), 2018, 54, 385-388
7120952 CIFC18 H52 B10 N2 Si5P 1 21/c 116.0649; 15.2313; 16.4004
90; 117.891; 90
3546.8Wang, Hao; Chan, Tek Long; Xie, Zuowei
Cyclic amino(carboranyl) silylene: synthesis, structure and reactivity.
Chemical communications (Cambridge, England), 2018, 54, 385-388
7120953 CIFC20 H47 B11 N4 SiP -19.6637; 12.6136; 14.6221
108.68; 97.907; 110.434
1518.49Wang, Hao; Chan, Tek Long; Xie, Zuowei
Cyclic amino(carboranyl) silylene: synthesis, structure and reactivity.
Chemical communications (Cambridge, England), 2018, 54, 385-388
7120954 CIFC20 H44 B10 N4 SiP 1 21/n 111.5795; 18.0348; 13.6549
90; 98.231; 90
2822.2Wang, Hao; Chan, Tek Long; Xie, Zuowei
Cyclic amino(carboranyl) silylene: synthesis, structure and reactivity.
Chemical communications (Cambridge, England), 2018, 54, 385-388
7120955 CIFC33 H54 B10 N4 O SiP 1 21/n 113.1949; 18.8976; 16.1057
90; 91.51; 90
4014.6Wang, Hao; Chan, Tek Long; Xie, Zuowei
Cyclic amino(carboranyl) silylene: synthesis, structure and reactivity.
Chemical communications (Cambridge, England), 2018, 54, 385-388
7120956 CIFC41 H62 B10 N4 SiP b c a20.0349; 20.6925; 21.5296
90; 90; 90
8925.6Wang, Hao; Chan, Tek Long; Xie, Zuowei
Cyclic amino(carboranyl) silylene: synthesis, structure and reactivity.
Chemical communications (Cambridge, England), 2018, 54, 385-388
7120957 CIFC27 H21 Br O4P 21 21 2112.4251; 12.4732; 14.0656
90; 90; 90
2179.9Zhang, Jianlin; Lin, Lili; He, Changqiang; Xiong, Qian; Liu, Xiaohua; Feng, Xiaoming
A chiral scandium-complex-catalyzed asymmetric inverse-electron-demand oxa-Diels-Alder reaction of o-quinone methides with fulvenes.
Chemical communications (Cambridge, England), 2017, 54, 74-77
7120958 CIFC90 H86 Al2 D6 N4I 1 a 115.4666; 15.1699; 30.7695
90; 101.336; 90
7078.5Urwin, Stephanie J.; Nichol, Gary S.; Cowley, Michael J.
Aluminium-mediated carbon-carbon coupling of an isonitrile.
Chemical communications (Cambridge, England), 2018, 54, 378-380

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