Crystallography Open Database

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1513722 CIFC23.5 H56 Si6C 1 2/c 117.135; 9.4044; 20.723
90; 101.54; 90
3271.9Tibbelin, Julius; Wallner, Andreas; Emanuelsson, Rikard; Heijkenskjöld, Filip; Rosenberg, Martin; Yamazaki, Kaoru; Nauroozi, Djawed; Karlsson, Leif; Feifel, Raimund; Pettersson, Roland; Baumgartner, Judith; Ott, Sascha; Ottosson, Henrik
1,4-Disilacyclohexa-2,5-diene: a molecular building block that allows for remarkably strong neutral cyclic cross-hyperconjugation
Chemical Science, 2014, 5, 360
1513723 CIFC79.72 H78.59 F48 N14.86 P8P -116.6223; 22.9236; 29.6344
71.154; 78.075; 73.175
10149.1Hartlieb, Karel J.; Blackburn, Anthea K.; Schneebeli, Severin T.; Forgan, Ross S.; Sarjeant, Amy A.; Stern, Charlotte L.; Cao, Dennis; Stoddart, J. Fraser
Topological isomerism in a chiral handcuff catenane
Chemical Science, 2014, 5, 90
1513724 CIFC125 H139 F48 N15 O15 P8P -116.475; 18.609; 25.278
105.106; 99.281; 93.008
7348Hartlieb, Karel J.; Blackburn, Anthea K.; Schneebeli, Severin T.; Forgan, Ross S.; Sarjeant, Amy A.; Stern, Charlotte L.; Cao, Dennis; Stoddart, J. Fraser
Topological isomerism in a chiral handcuff catenane
Chemical Science, 2014, 5, 90
1513725 CIFC110 H118 F48 N8 O14 P8P 1 21/n 120.0951; 31.3942; 24.2862
90; 94.082; 90
15282.6Hartlieb, Karel J.; Blackburn, Anthea K.; Schneebeli, Severin T.; Forgan, Ross S.; Sarjeant, Amy A.; Stern, Charlotte L.; Cao, Dennis; Stoddart, J. Fraser
Topological isomerism in a chiral handcuff catenane
Chemical Science, 2014, 5, 90
1513726 CIFK19 O223.5 P8 U31P -4 21 c41; 41; 32.818
90; 90; 90
55167Qiu, Jie; Ling, Jie; Jouffret, Laurent; Thomas, Rebecca; Szymanowski, Jennifer E. S.; Burns, Peter C.
Water-soluble multi-cage super tetrahedral uranyl peroxide phosphate clusters
Chemical Science, 2014, 5, 303
1513727 CIFC42 H34C 1 2/c 114.515; 15.214; 13.3114
90; 99.134; 90
2902.3Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito
Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame
Chemical Science, 2014, 5, 163
1513728 CIFC50 H34 Cl2 N2 O2P 1 21/c 19.251; 18.592; 22.277
90; 94.409; 90
3820Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito
Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame
Chemical Science, 2014, 5, 163
1513729 CIFC45 H40 O3P 1 21/c 18.266; 18.71; 21.637
90; 90.739; 90
3346Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito
Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame
Chemical Science, 2014, 5, 163
1513730 CIFC90 H73 ClP -18.5044; 19.248; 20.4545
82.0704; 78.1032; 82.3308
3225.9Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito
Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame
Chemical Science, 2014, 5, 163
1513731 CIFC36 H33 B F6 N11 O6.5 Pd S2P b c a17.177; 19.182; 24.723
90; 90; 90
8146Brandt, Jochen R.; Lee, Eunsung; Boursalian, Gregory B.; Ritter, Tobias
Mechanism of Electrophilic Fluorination with Pd(IV): Fluoride Capture and Subsequent Oxidative Fluoride Transfer(.)
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 169
1513732 CIFC24 H27 N3 O5P -18.9819; 10.28; 13.008
86.49; 73.036; 79.688
1130.21Zhang, Yan; Wu, Qifan; Cui, Sunliang
Rh(iii)-catalyzed C–H activation–desymmetrization of diazabicycles with arenes: facile synthesis of functionalized cyclopentenes
Chemical Science, 2014, 5, 297
1513733 CIFC78 H18P 1 21/c 121.462; 10.226; 19.538
90; 109.458; 90
4043Cho, Namchul; Li, Chang-Zhi; Yip, Hin-Lap; Jen, Alex K.-Y.
In situ doping and crosslinking of fullerenes to form efficient and robust electron-transporting layers for polymer solar cells
Energy & Environmental Science, 2014, 7, 638
1513734 CIFC18 H9 Br6 NP 1 21/c 18.1254; 18.6567; 26.9854
90; 96.5869; 90
4063.8Odom, Susan A.; Ergun, Selin; Poudel, Pramod P.; Parkin, Sean R.
A fast, inexpensive method for predicting overcharge performance in lithium-ion batteries
Energy & Environmental Science, 2014, 7, 760
1513735 CIFC5 H4 F6 Li N O7 S2P 21 21 215.7951; 12.7103; 16.8547
90; 90; 90
1241.47McOwen, Dennis W.; Seo, Daniel M.; Borodin, Oleg; Vatamanu, Jenel; Boyle, Paul D.; Henderson, Wesley A.
Concentrated electrolytes: decrypting electrolyte properties and reassessing Al corrosion mechanisms
Energy & Environmental Science, 2014, 7, 416
1513736 CIFC11 H12 F6 Li N O13 S2P c a 218.729; 14.045; 16.041
90; 90; 90
1966.6McOwen, Dennis W.; Seo, Daniel M.; Borodin, Oleg; Vatamanu, Jenel; Boyle, Paul D.; Henderson, Wesley A.
Concentrated electrolytes: decrypting electrolyte properties and reassessing Al corrosion mechanisms
Energy & Environmental Science, 2014, 7, 416
1513737 CIFC57 H48 N8 O9 S4 Zn2P b c a22.486; 16.5586; 28.6689
90; 90; 90
10674.5Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris
3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.
Metallomics : integrated biometal science, 2014, 6, 249-262
1513738 CIFC14 H12 N2 O3P -17.1289; 7.1436; 13.037
82.538; 83.524; 61.968
580.05Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris
3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.
Metallomics : integrated biometal science, 2014, 6, 249-262
1513739 CIFC13 H11 N3 O2 SP -17.5968; 8.3252; 11.0399
97.196; 108.876; 110.229
597.4Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris
3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.
Metallomics : integrated biometal science, 2014, 6, 249-262
1513740 CIFC19 H18 N2 O2P 1 21/c 18.805; 18.3583; 9.8145
90; 92.016; 90
1585.5Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris
3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.
Metallomics : integrated biometal science, 2014, 6, 249-262
1513741 CIFC13 H12 O3P b c a12.1889; 8.9564; 20.1062
90; 90; 90
2194.97Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris
3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.
Metallomics : integrated biometal science, 2014, 6, 249-262
1513742 CIFC15 H16 N2 O3 SP 1 21/c 112.0704; 8.6513; 14.245
90; 107.286; 90
1420.34Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris
3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.
Metallomics : integrated biometal science, 2014, 6, 249-262
1513743 CIFC42 H33 Cu1.5 N6 O6 S3P -112.37; 12.679; 13.471
62.131; 86.789; 84.702
1859.6Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris
3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.
Metallomics : integrated biometal science, 2014, 6, 249-262
1513744 CIFC44 H38 Fe N7 O7 S3C 1 2/c 115.7028; 25.796; 24.222
90; 99.532; 90
9676Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris
3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.
Metallomics : integrated biometal science, 2014, 6, 249-262
1513745 CIFC27 H20 F6 N2 S2P 1 21/c 115.522; 11.509; 15.025
90; 113.5; 90
2461Ichikawa, Tomohiro; Morimoto, Masakazu; Irie, Masahiro
Asymmetric photoreaction of a diarylethene in hydrogen-bonded cocrystals with chiral molecules.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 199-204
1513746 CIFC49 H37 F6 N3 O2 S2P 111.2226; 14.6368; 14.7457
82.159; 68.326; 88.858
2228.66Ichikawa, Tomohiro; Morimoto, Masakazu; Irie, Masahiro
Asymmetric photoreaction of a diarylethene in hydrogen-bonded cocrystals with chiral molecules.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 199-204
1513747 CIFC49 H37 F6 N3 O2 S2P 111.203; 14.6411; 14.7813
82.469; 68.116; 89.224
2228.7Ichikawa, Tomohiro; Morimoto, Masakazu; Irie, Masahiro
Asymmetric photoreaction of a diarylethene in hydrogen-bonded cocrystals with chiral molecules.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 199-204
1513748 CIFC27 H24 O4P 1 21/n 113.9039; 8.8277; 16.789
90; 93.294; 90
2057.3Cheng, Su-Fang; Chen, Bin; Yang, Xiu-Jie; Luo, Lin; Zhang, Li-Ping; Wu, Li-Zhu; Tung, Chen-Ho
Synthesis of diastereometrically pure cubane-like photodimers from 2,4-pentanediyl-bis-2-naphthoates.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 261-265
1513749 CIFC26 H26 N2 O4P 1 21 18.4099; 5.3783; 23.8999
90; 100.092; 90
1064.29Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.
Photooxygenation mechanisms in naproxen-amino acid linked systems.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 224-230
1513750 CIFC26 H26 N2 O4P 1 21 17.821; 5.916; 22.9298
90; 94.223; 90
1058.06Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.
Photooxygenation mechanisms in naproxen-amino acid linked systems.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 224-230
1513751 CIFC24 H25 N O5P 21 21 215.6471; 8.0554; 45.153
90; 90; 90
2053.99Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.
Photooxygenation mechanisms in naproxen-amino acid linked systems.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 224-230
1513752 CIFC24 H27 N O6P 14.9526; 10.2028; 10.7011
92.352; 94.615; 96.777
534.51Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.
Photooxygenation mechanisms in naproxen-amino acid linked systems.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 224-230
1513753 CIFC21 H23 N3 O4P 21 21 215.4293; 8.998; 39.35
90; 90; 90
1922.4Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.
Photooxygenation mechanisms in naproxen-amino acid linked systems.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 224-230
1513754 CIFC21 H22 N3 O4P 1 21 17.5041; 5.1979; 24.164
90; 92.664; 90
941.51Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.
Photooxygenation mechanisms in naproxen-amino acid linked systems.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 224-230
1513755 CIFC22 H16 N2P 1 21/n 19.0125; 11.4927; 16.4078
90; 103.974; 90
1649.19Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane
Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 211-223
1513756 CIFC39 H30 N2 OP 1 21/n 111.023; 15.0169; 17.9072
90; 101.637; 90
2903.27Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane
Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 211-223
1513757 CIFC23 H18 N2P n a 2115.5952; 13.4176; 8.2215
90; 90; 90
1720.35Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane
Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 211-223
1513758 CIFC37 H26 N2P 1 21/c 110.6616; 20.7812; 13.207
90; 110.46; 90
2741.56Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane
Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 211-223
1513759 CIFC27 H18 N2P b c a16.0572; 13.6979; 17.9652
90; 90; 90
3951.44Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane
Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 211-223
1513760 CIFC41.5 H27 Cl N2P -111.7562; 16.1045; 17.9894
91.242; 100.219; 104.494
3237.37Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane
Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 211-223
1513761 CIFC17 H12 O3 SP 1 21/c 15.0173; 14.9931; 18.012
90; 93.897; 90
1351.8Jindal, Pooja; Bhatia, Rimpy; Khullar, Sadhika; Mandal, Sanjay K.; Kamboj, Ramesh C.
One-shot photochemical synthesis of 5-(thiophen-3-yl)pyrano[2,3-c]chromen-2(3H)-ones from 3-propynyloxy-chromenones: a case of an intramolecular Paterno-Buchi reaction.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 488-491
1513762 CIFC34 H33 Cl3 N2 PdP 1 n 111.7926; 9.4147; 14.555
90; 101.906; 90
1581.19Huo, Ping; Liu, Wanyun; He, Xiaohui; Wei, Zhenhong; Chen, Yiwang
Substituent effects and activation mechanism of norbornene polymerization catalyzed by three-dimensional geometry α-diimine palladium complexes
Polymer Chemistry, 2014, 5, 1210
1513763 CIFC35 H35 Cl N2 PdP 1 21/n 112.0765; 19.5745; 12.7667
90; 90.899; 90
3017.6Huo, Ping; Liu, Wanyun; He, Xiaohui; Wei, Zhenhong; Chen, Yiwang
Substituent effects and activation mechanism of norbornene polymerization catalyzed by three-dimensional geometry α-diimine palladium complexes
Polymer Chemistry, 2014, 5, 1210
1513764 CIFC119 H90 Cl18 N8 Pd4P -19.4659; 18.1651; 18.9183
68.501; 75.588; 84.629
2931.4Huo, Ping; Liu, Wanyun; He, Xiaohui; Wei, Zhenhong; Chen, Yiwang
Substituent effects and activation mechanism of norbornene polymerization catalyzed by three-dimensional geometry α-diimine palladium complexes
Polymer Chemistry, 2014, 5, 1210
1513765 CIFC32 H30 Fe2 Ru Si2P -114.3465; 14.4684; 14.5968
66.44; 68.64; 86.12
2575.74Erhard, Maximilian; Lam, Kevin; Haddow, Mairi; Whittell, George R.; Geiger, William E.; Manners, Ian
Polyferrocenylsilane homopolymers and diblock copolymers with pendant ruthenocenyl groups by photocontrolled ring-opening polymerisation
Polymer Chemistry, 2014, 5, 1264
1513766 CIFC21 H20 Fe Ru SiP 1 21/c 112.4947; 8.9461; 31.2176
90; 100.039; 90
3436.04Erhard, Maximilian; Lam, Kevin; Haddow, Mairi; Whittell, George R.; Geiger, William E.; Manners, Ian
Polyferrocenylsilane homopolymers and diblock copolymers with pendant ruthenocenyl groups by photocontrolled ring-opening polymerisation
Polymer Chemistry, 2014, 5, 1264
1513767 CIFC10 H9 Br RuP 1 21/m 17.1295; 8.9916; 7.2907
90; 109.503; 90
440.56Erhard, Maximilian; Lam, Kevin; Haddow, Mairi; Whittell, George R.; Geiger, William E.; Manners, Ian
Polyferrocenylsilane homopolymers and diblock copolymers with pendant ruthenocenyl groups by photocontrolled ring-opening polymerisation
Polymer Chemistry, 2014, 5, 1264
1513768 CIFC73 H49 Cl3 N9 P3P 1 21/n 111.7629; 25.0523; 21.7142
90; 92.779; 90
6391.4Nishimoto, Takuro; Yasuda, Takuma; Lee, Sae Youn; Kondo, Ryosuke; Adachi, Chihaya
A six-carbazole-decorated cyclophosphazene as a host with high triplet energy to realize efficient delayed-fluorescence OLEDs
Materials Horizons, 2014, 1, 264
1513769 CIFC26 H20P 1 21 19.837; 9.5017; 10.7087
90; 107.165; 90
956.34Parrott, Edward P. J.; Tan, Nicholas Y.; Hu, Rongrong; Zeitler, J. Axel; Tang, Ben Zhong; Pickwell-MacPherson, Emma
Direct evidence to support the restriction of intramolecular rotation hypothesis for the mechanism of aggregation-induced emission: temperature resolved terahertz spectra of tetraphenylethene
Materials Horizons, 2014, 1, 251
1513770 CIFC19.5 H17 Au F PC 1 2/c 123.0127; 9.31; 19.0897
90; 126.337; 90
3294.6Wolf, William J.; Winston, Matthew S.; Toste, F. Dean
Exceptionally fast carbon-carbon bond reductive elimination from gold(III).
Nature chemistry, 2014, 6, 159-164
1513771 CIFC25 H23 Au2 Cl4 N P2P 1 21/c 18.8394; 16.1038; 22.1064
90; 100.248; 90
3096.6Wolf, William J.; Winston, Matthew S.; Toste, F. Dean
Exceptionally fast carbon-carbon bond reductive elimination from gold(III).
Nature chemistry, 2014, 6, 159-164

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