Crystallography Open Database

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1549106 CIFC20 H24 O2 S2P -19.3989; 17.981; 27.49
103.638; 92.242; 96.035
4480McDearmon, Brenden; Lim, Eunhee; Lee, In-Hwan; Kozycz, Lisa M.; O’Hara, Kathryn; Robledo, P. Isaac; Venkatesan, Naveen R.; Chabinyc, Michael L.; Hawker, Craig J.
Effects of Side-Chain Topology on Aggregation of Conjugated Polymers
Macromolecules, 2018, 51, 2580
1552745 CIFC14 H13 I2 N2 OP -15.1369; 8.324; 19.8365
90.74; 94.177; 96.566
840.2Freitag, Matthew; DeCicco, Racquel C.; Black, Allison; Ang, Xiuzhu; Young, Christopher N.; Resch, Daniel; Halada, Gary P.; Phillips, Brian L.; Goroff, Nancy S.
Polymerization Studies of Diiodohexatriyne and Diiodooctatetrayne Cocrystals
Macromolecules, 2019, 52, 8563
1552746 CIFC28 H26 I4 N4 O2P -14.891; 8.2349; 20.7211
90.726; 96.62; 90.949
828.81Freitag, Matthew; DeCicco, Racquel C.; Black, Allison; Ang, Xiuzhu; Young, Christopher N.; Resch, Daniel; Halada, Gary P.; Phillips, Brian L.; Goroff, Nancy S.
Polymerization Studies of Diiodohexatriyne and Diiodooctatetrayne Cocrystals
Macromolecules, 2019, 52, 8563
1552747 CIFC36 H32 I4 N6 O2P 1 21/c 15.144; 14.442; 26.48
90; 92.445; 90
1965Freitag, Matthew; DeCicco, Racquel C.; Black, Allison; Ang, Xiuzhu; Young, Christopher N.; Resch, Daniel; Halada, Gary P.; Phillips, Brian L.; Goroff, Nancy S.
Polymerization Studies of Diiodohexatriyne and Diiodooctatetrayne Cocrystals
Macromolecules, 2019, 52, 8563
1552814 CIFC31 H50 Br2 O S2P -15.5012; 7.6825; 38.85
88.875; 89.662; 72.188
1562.91Chen, Jianhua; Liao, Qiaogan; Wang, Gang; Yan, Zhenglong; Wang, Hang; Wang, Yulun; Zhang, Xianhe; Tang, Yumin; Facchetti, Antonio; Marks, Tobin J.; Guo, Xugang
Enhancing Polymer Photovoltaic Performance via Optimized Intramolecular Ester-Based Noncovalent Sulfur···Oxygen Interactions
Macromolecules, 2018, 51, 3874
1552815 CIFC19 H24 Br2 O3 S2P -18.322; 9.7826; 14.7863
92.707; 102.005; 114.698
1057.47Chen, Jianhua; Liao, Qiaogan; Wang, Gang; Yan, Zhenglong; Wang, Hang; Wang, Yulun; Zhang, Xianhe; Tang, Yumin; Facchetti, Antonio; Marks, Tobin J.; Guo, Xugang
Enhancing Polymer Photovoltaic Performance via Optimized Intramolecular Ester-Based Noncovalent Sulfur···Oxygen Interactions
Macromolecules, 2018, 51, 3874
1552816 CIFC72 H76 F12 N4 O4 S6 Zn2P 1 21/n 114.1209; 17.852; 15.2027
90; 107.823; 90
3648.5Zhang, Yao-Yao; Yang, Guan-Wen; Wu, Guang-Peng
A Bifunctional β-Diiminate Zinc Catalyst with CO2/Epoxides Copolymerization and RAFT Polymerization Capacities for Versatile Block Copolymers Construction
Macromolecules, 2018, 51, 3640
1552817 CIFC32 H33 Cl3 N2 O6 PdP -112.1018; 12.1188; 12.3413
79.358; 68.593; 84.171
1654.96Xiao, Zefan; Zheng, Handou; Du, Cheng; Zhong, Liu; Liao, Heng; Gao, Jie; Gao, Haiyang; Wu, Qing
Enhancement on Alternating Copolymerization of Carbon Monoxide and Styrene by Dibenzobarrelene-Based α-Diimine Palladium Catalysts
Macromolecules, 2018, 51, 9110
1552818 CIFC36 H37 Cl3 N2 O6 PdP 1 21/n 112.3985; 20.1081; 13.8378
90; 92.7312; 90
3445.99Xiao, Zefan; Zheng, Handou; Du, Cheng; Zhong, Liu; Liao, Heng; Gao, Jie; Gao, Haiyang; Wu, Qing
Enhancement on Alternating Copolymerization of Carbon Monoxide and Styrene by Dibenzobarrelene-Based α-Diimine Palladium Catalysts
Macromolecules, 2018, 51, 9110
1552819 CIFC33 H31 Cl N2 O4 PdP 1 21/c 111.3673; 12.5081; 20.9652
90; 103.048; 90
2903.94Xiao, Zefan; Zheng, Handou; Du, Cheng; Zhong, Liu; Liao, Heng; Gao, Jie; Gao, Haiyang; Wu, Qing
Enhancement on Alternating Copolymerization of Carbon Monoxide and Styrene by Dibenzobarrelene-Based α-Diimine Palladium Catalysts
Macromolecules, 2018, 51, 9110
1552820 CIFC33 H31 Cl5 N2 O2 PdP 1 21/c 19.908; 22.0742; 15.5558
90; 99.976; 90
3350.8Xiao, Zefan; Zheng, Handou; Du, Cheng; Zhong, Liu; Liao, Heng; Gao, Jie; Gao, Haiyang; Wu, Qing
Enhancement on Alternating Copolymerization of Carbon Monoxide and Styrene by Dibenzobarrelene-Based α-Diimine Palladium Catalysts
Macromolecules, 2018, 51, 9110
1552821 CIFC76.5 H87 Cl3 N8P 1 21/c 112.787; 23.4658; 23.0659
90; 96.736; 90
6873.3Gallagher, Nolan M.; Zhukhovitskiy, Aleksandr V.; Nguyen, Hung V.-T.; Johnson, Jeremiah A.
Main-Chain Zwitterionic Supramolecular Polymers Derived fromN-Heterocyclic Carbene‒Carbodiimide (NHC‒CDI) Adducts
Macromolecules, 2018, 51, 3006
1552822 CIFC178 H264 Cl8 O26 Y4I -4 c 225.8909; 25.8909; 59.13
90; 90; 90
39637Chen, Changjuan; Bai, Zhiyong; Cui, Yaqin; Cong, Yong; Pan, Xiaobo; Wu, Jincai
ppm-Level Thermally Switchable Yttrium Phenoxide Catalysts for Moisture-Insensitive and Controllably Immortal Polymerization of rac-Lactide
Macromolecules, 2018, 51, 6800
1552823 CIFC93 H126 O9 Y2R -3 c :H23.2; 23.2; 36.173
90; 90; 120
16861Chen, Changjuan; Bai, Zhiyong; Cui, Yaqin; Cong, Yong; Pan, Xiaobo; Wu, Jincai
ppm-Level Thermally Switchable Yttrium Phenoxide Catalysts for Moisture-Insensitive and Controllably Immortal Polymerization of rac-Lactide
Macromolecules, 2018, 51, 6800
1552824 CIFC22 H43 Lu N2 Si3P -110.4643; 11.3341; 12.5841
86.455; 89.203; 89.375
1489.44Yan, Chao; Xu, Tie-Qi; Lu, Xiao-Bing
From Stereochemically Tunable Homopolymers to Stereomultiblock Copolymers: Lewis Base Regulates Stereochemistry in the Coordination Polymerization of 2-Vinylpyridine
Macromolecules, 2018, 51, 2240
1552825 CIFC62 H38 Cl4 N2 O4C 1 2 135.279; 12.2498; 12.5944
90; 94.96; 90
5422.4Wang, Zhen; Yan, Sen; Cui, Huang-Chen; Cheng, Guang; Ma, Hui; Zhang, Qing-Mei; Zhang, Qing-Pu; Liu, Jun-Min; Tan, Bien; Zhang, Chun
Porous Organic Polymer from Aggregation-Induced Emission Macrocycle for White-Light Emission
Macromolecules, 2018, 51, 7863
1552826 CIFC15 H18 I N3 O2P 1 21/n 17.084; 12.892; 18.3
90; 96.39; 90
1661Kim, Kyung-su; Cho, Hye Jin; Lee, Jookyeong; Ha, Seonggyun; Song, Sun Gu; Kim, Seunghun; Yun, Wan Soo; Kim, Seong Kyu; Huh, Joonsuk; Song, Changsik
Dynamic Covalent Hydrazone Supramolecular Polymers toward Multiresponsive Self-Assembled Nanowire System
Macromolecules, 2018, 51, 8278
1552827 CIFC47 H57 Mg N3 O2 Si2P 1 21/c 115.801; 13.9759; 19.829
90; 97.419; 90
4342.2Hu, Jianwen; Kan, Chao; Wang, Haobing; Ma, Haiyan
Highly Active Chiral Oxazolinyl Aminophenolate Magnesium Initiators for Isoselective Ring-Opening Polymerization of rac-Lactide: Dinuclearity Induced Enantiomorphic Site Control
Macromolecules, 2018, 51, 5304
1552828 CIFC51 H57 Mg N3 O2 Si2P 21 21 2111.371; 19.871; 20.675
90; 90; 90
4672Hu, Jianwen; Kan, Chao; Wang, Haobing; Ma, Haiyan
Highly Active Chiral Oxazolinyl Aminophenolate Magnesium Initiators for Isoselective Ring-Opening Polymerization of rac-Lactide: Dinuclearity Induced Enantiomorphic Site Control
Macromolecules, 2018, 51, 5304
1552829 CIFC53.5 H61 Mg N3 O2 Si2C 1 2 122.132; 11.214; 19.876
90; 98.636; 90
4877Hu, Jianwen; Kan, Chao; Wang, Haobing; Ma, Haiyan
Highly Active Chiral Oxazolinyl Aminophenolate Magnesium Initiators for Isoselective Ring-Opening Polymerization of rac-Lactide: Dinuclearity Induced Enantiomorphic Site Control
Macromolecules, 2018, 51, 5304
1552830 CIFC53.5 H61 Mg N3 O2 Si2C 1 2 122.162; 11.233; 19.873
90; 98.551; 90
4892.3Hu, Jianwen; Kan, Chao; Wang, Haobing; Ma, Haiyan
Highly Active Chiral Oxazolinyl Aminophenolate Magnesium Initiators for Isoselective Ring-Opening Polymerization of rac-Lactide: Dinuclearity Induced Enantiomorphic Site Control
Macromolecules, 2018, 51, 5304
1552831 CIFC97 H140.42 N11 O20P -114.961; 16.55; 21.063
101.77; 92.13; 103.45
4946Xia, Danyu; Wang, Liyun; Lv, Xiaoqing; Chao, Jianbin; Wei, Xuehong; Wang, Pi
Dual-Responsive [2]Pseudorotaxane On the basis of a pH-Sensitive Pillar[5]arene and Its Application in the Fabrication of Metallosupramolecular Polypseudorotaxane
Macromolecules, 2018, 51, 2716
1552832 CIFC40 H52 O2 S4P 1 21/n 114.877; 12.227; 21.508
90; 105.131; 90
3777McDearmon, Brenden; Lim, Eunhee; Lee, In-Hwan; Kozycz, Lisa M.; O’Hara, Kathryn; Robledo, P. Isaac; Venkatesan, Naveen R.; Chabinyc, Michael L.; Hawker, Craig J.
Effects of Side-Chain Topology on Aggregation of Conjugated Polymers
Macromolecules, 2018, 51, 2580
1552833 CIFC20 H26 O2 S2P 1 21/c 17.5527; 9.651; 13.308
90; 101.931; 90
949.1McDearmon, Brenden; Lim, Eunhee; Lee, In-Hwan; Kozycz, Lisa M.; O’Hara, Kathryn; Robledo, P. Isaac; Venkatesan, Naveen R.; Chabinyc, Michael L.; Hawker, Craig J.
Effects of Side-Chain Topology on Aggregation of Conjugated Polymers
Macromolecules, 2018, 51, 2580
1552834 CIFC42 H39 PP -19.879; 12.3423; 15.4553
104.703; 101.12; 112.177
1597.8Rawe, Benjamin W.; Priegert, Andrew M.; Wang, Shuai; Schiller, Carl; Gerke, Sonja; Gates, Derek P.
An Addition‒Isomerization Mechanism for the Anionic Polymerization of MesP═CPh2 and m-XylP═CPh2
Macromolecules, 2018, 51, 2621
1552835 CIFC41 H37 PP 1 21/n 112.623; 15.369; 16.556
90; 102.684; 90
3134Rawe, Benjamin W.; Priegert, Andrew M.; Wang, Shuai; Schiller, Carl; Gerke, Sonja; Gates, Derek P.
An Addition‒Isomerization Mechanism for the Anionic Polymerization of MesP═CPh2 and m-XylP═CPh2
Macromolecules, 2018, 51, 2621
1552836 CIFC16 H12 Br2P -18.3044; 9.337; 9.3521
73.731; 85.809; 80.334
686Gao, Qingqing; Qiu, Zijie; Elsegood, Mark R. J.; Chen, Ming; Wang, Jianguo; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong
Regio- and Stereoselective Polymerization of Diynes with Inorganic Comonomer: A Facile Strategy to Conjugated Poly(p-arylene dihalodiene)s with Processability and Postfunctionalizability
Macromolecules, 2018, 51, 3497
1552837 CIFC26 H17 NP 1 21/n 110.3766; 19.563; 8.672
90; 89.869; 90
1760.4Al Mousawi, Assi; Schmitt, Michael; Dumur, Frederic; Ouyang, Jiangkun; Favereau, Ludovic; Dorcet, Vincent; Vanthuyne, Nicolas; Garra, Patxi; Toufaily, Joumana; Hamieh, Tayssir; Graff, Bernadette; Fouassier, Jean Pierre; Gigmes, Didier; Crassous, Jeanne; Lalevée, Jacques
Visible Light Chiral Photoinitiator for Radical Polymerization and Synthesis of Polymeric Films with Strong Chiroptical Activity
Macromolecules, 2018, 51, 5628
1552838 CIFC63 H55 Cl N2 Pd S4P c a 2124.121; 9.6946; 25.198
90; 90; 90
5892.4Na, Yinna; Dai, Shengyu; Chen, Changle
Direct Synthesis of Polar-Functionalized Linear Low-Density Polyethylene (LLDPE) and Low-Density Polyethylene (LDPE)
Macromolecules, 2018, 51, 4040
1552839 CIFC30 H33 Cl2 O6 P Pd S2P 1 21/c 115.7379; 13.937; 14.7041
90; 91.146; 90
3224.5Na, Yinna; Dai, Shengyu; Chen, Changle
Direct Synthesis of Polar-Functionalized Linear Low-Density Polyethylene (LLDPE) and Low-Density Polyethylene (LDPE)
Macromolecules, 2018, 51, 4040
1552840 CIFC9 H6 O2 S2P b c a9.738; 7.241; 24.578
90; 90; 90
1733.1Chen, Jianhua; Wang, Lei; Yang, Jie; Yang, Kun; Uddin, Mohammad Afsar; Tang, Yumin; Zhou, Xin; Liao, Qiaogan; Yu, Jianwei; Liu, Bin; Woo, Han Young; Guo, Xugang
Backbone Conformation Tuning of Carboxylate-Functionalized Wide Band Gap Polymers for Efficient Non-Fullerene Organic Solar Cells
Macromolecules, 2018, 52, 341
1552841 CIFC16 H12 O4 S3C 1 2 114.089; 6.7932; 10.3076
90; 124.152; 90
816.4Chen, Jianhua; Wang, Lei; Yang, Jie; Yang, Kun; Uddin, Mohammad Afsar; Tang, Yumin; Zhou, Xin; Liao, Qiaogan; Yu, Jianwei; Liu, Bin; Woo, Han Young; Guo, Xugang
Backbone Conformation Tuning of Carboxylate-Functionalized Wide Band Gap Polymers for Efficient Non-Fullerene Organic Solar Cells
Macromolecules, 2018, 52, 341
1552842 CIFC9 H6 O2 S2P -16.052; 7.23; 10.735
72.62; 86.1; 69.463
419.4Chen, Jianhua; Wang, Lei; Yang, Jie; Yang, Kun; Uddin, Mohammad Afsar; Tang, Yumin; Zhou, Xin; Liao, Qiaogan; Yu, Jianwei; Liu, Bin; Woo, Han Young; Guo, Xugang
Backbone Conformation Tuning of Carboxylate-Functionalized Wide Band Gap Polymers for Efficient Non-Fullerene Organic Solar Cells
Macromolecules, 2018, 52, 341
1554147 CIFC28 H47 Lu O Si3P 1 21/c 110.4; 15.6; 20
90; 105; 90
3134.2Du, Gaixia; Long, Yingyun; Xue, Jiaping; Zhang, Shaowen; Dong, Yuping; Li, Xiaofang
1,4-Selective Polymerization of 1,3-Cyclohexadiene and Copolymerization with Styrene by Cationic Half-Sandwich Fluorenyl Rare Earth Metal Alkyl Catalysts
Macromolecules, 2015, 48, 1627
1554148 CIFC28 H47 O Si3 YP 1 21/c 110.4; 15.8; 20
90; 104.6; 90
3180.3Du, Gaixia; Long, Yingyun; Xue, Jiaping; Zhang, Shaowen; Dong, Yuping; Li, Xiaofang
1,4-Selective Polymerization of 1,3-Cyclohexadiene and Copolymerization with Styrene by Cationic Half-Sandwich Fluorenyl Rare Earth Metal Alkyl Catalysts
Macromolecules, 2015, 48, 1627
1554149 CIFC46 H38 O8P -15.8035; 12.8761; 13.1702
66.778; 82.336; 86.696
896.34Wang, Zhihan; Randazzo, Katelyn; Hou, Xiaodong; Simpson, Jeffrey; Struppe, Jochem; Ugrinov, Angel; Kastern, Brent; Wysocki, Erin; Chu, Qianli R.
Stereoregular Two-Dimensional Polymers Constructed by Topochemical Polymerization
Macromolecules, 2015, 48, 2894
1554150 CIFC18 H14 O4C 1 2/c 115.7822; 5.6013; 16.275
90; 99.255; 90
1419.99Wang, Zhihan; Randazzo, Katelyn; Hou, Xiaodong; Simpson, Jeffrey; Struppe, Jochem; Ugrinov, Angel; Kastern, Brent; Wysocki, Erin; Chu, Qianli R.
Stereoregular Two-Dimensional Polymers Constructed by Topochemical Polymerization
Macromolecules, 2015, 48, 2894
1554151 CIFC44 H68 N8 O10P 1 21/n 19.226; 20.5019; 24.273
90; 96.132; 90
4565Wang, Zhihan; Randazzo, Katelyn; Hou, Xiaodong; Simpson, Jeffrey; Struppe, Jochem; Ugrinov, Angel; Kastern, Brent; Wysocki, Erin; Chu, Qianli R.
Stereoregular Two-Dimensional Polymers Constructed by Topochemical Polymerization
Macromolecules, 2015, 48, 2894
1554152 CIFC23 H19 O4P 1 21/n 15.5677; 9.2109; 35.394
90; 91.726; 90
1814.3Wang, Zhihan; Randazzo, Katelyn; Hou, Xiaodong; Simpson, Jeffrey; Struppe, Jochem; Ugrinov, Angel; Kastern, Brent; Wysocki, Erin; Chu, Qianli R.
Stereoregular Two-Dimensional Polymers Constructed by Topochemical Polymerization
Macromolecules, 2015, 48, 2894
1554153 CIFC54 H46 O8P -15.8334; 14.4688; 14.48
119.601; 90.053; 95.149
1056.9Wang, Zhihan; Randazzo, Katelyn; Hou, Xiaodong; Simpson, Jeffrey; Struppe, Jochem; Ugrinov, Angel; Kastern, Brent; Wysocki, Erin; Chu, Qianli R.
Stereoregular Two-Dimensional Polymers Constructed by Topochemical Polymerization
Macromolecules, 2015, 48, 2894
1554154 CIFC8 H7 N O4C 1 2/c 112.6313; 7.672; 16.025
90; 107.02; 90
1484.9Kriechbaum, Konstantin; Cerrón-Infantes, D. Alonso; Stöger, Berthold; Unterlass, Miriam M.
Shape-Anisotropic Polyimide Particles by Solid-State Polycondensation of Monomer Salt Single Crystals
Macromolecules, 2015, 48, 8773
1554155 CIFC38 H38 N4 O4P 1 21/c 116.966; 10.138; 19.461
90; 104.447; 90
3241.5Lee, Young-Gi; Kang, Songsu; Moerdyk, Jonathan P.; Bielawski, Christopher W.
Poly(2-imino-4-oxazolidinone)s via the Condensation of Diamidocarbenes with Bis(isocyanate)s
Macromolecules, 2015, 48, 9081
1554156 CIFC31 H33 N3 O3P 1 21/n 117.244; 18.378; 19.472
90; 113.868; 90
5643.1Lee, Young-Gi; Kang, Songsu; Moerdyk, Jonathan P.; Bielawski, Christopher W.
Poly(2-imino-4-oxazolidinone)s via the Condensation of Diamidocarbenes with Bis(isocyanate)s
Macromolecules, 2015, 48, 9081
1554157 CIFC27 H39 YR -3 :H15.5307; 15.5307; 16.582
90; 90; 120
3463.77Soller, Benedikt S.; Sun, Qian; Salzinger, Stephan; Jandl, Christian; Pöthig, Alexander; Rieger, Bernhard
Ligand Induced Steric Crowding in Rare Earth Metal-Mediated Group Transfer Polymerization of Vinylphosphonates: Does Enthalpy Matter?
Macromolecules, 2016, 49, 1582
1554158 CIFC24 H39 Si3 SmP b c a8.2756; 22.251; 28.8955
90; 90; 90
5320.8Soller, Benedikt S.; Sun, Qian; Salzinger, Stephan; Jandl, Christian; Pöthig, Alexander; Rieger, Bernhard
Ligand Induced Steric Crowding in Rare Earth Metal-Mediated Group Transfer Polymerization of Vinylphosphonates: Does Enthalpy Matter?
Macromolecules, 2016, 49, 1582
1554159 CIFC6 H7 K O8 S2P 1 21/n 17.3917; 5.808; 26.6182
90; 94.1545; 90
1139.74Potzmann, Paul Michael; Lopez Villanueva, Francisco Javier; Liska, Robert
UV-Initiated Bubble-Free Frontal Polymerization in Aqueous Conditions
Macromolecules, 2015, 48, 8738
1554160 CIFC36 H26 F N2 SP -18.98; 12.15; 13.67
105; 93; 106.6
1367.7Zhong, Wenkai; Liang, Junfei; Hu, Shuzhi; Jiang, Xiao-Fang; Ying, Lei; Huang, Fei; Yang, Wei; Cao, Yong
Effect of Monofluoro Substitution on the Optoelectronic Properties of Benzo[c][1,2,5]thiadiazole Based Organic Semiconductors
Macromolecules, 2016, 49, 5806
1554161 CIFC36 H28 N2 SP -18.91; 11.88; 13.67
107.8; 93.2; 102.2
1335.3Zhong, Wenkai; Liang, Junfei; Hu, Shuzhi; Jiang, Xiao-Fang; Ying, Lei; Huang, Fei; Yang, Wei; Cao, Yong
Effect of Monofluoro Substitution on the Optoelectronic Properties of Benzo[c][1,2,5]thiadiazole Based Organic Semiconductors
Macromolecules, 2016, 49, 5806
1554162 CIFC24 H22 Br2 N2 S2P 1 21/c 16.25656; 20.1295; 17.8928
90; 96.663; 90
2238.22Wang, Tingting; Wang, Hongyan; Li, Guangwu; Li, Mengwei; Bo, Zhishan; Chen, Yulan
Thiophene-Fused 1,10-Phenanthroline and Its Conjugated Polymers
Macromolecules, 2016, 49, 4088
1554163 CIFC45 H47 F6 N O6 P Pd S2 SbP 1 21/c 118.959; 15.531; 16.25
90; 98.98; 90
4726.2Jian, Zhongbao; Mecking, Stefan
Short-Chain Branched Polar-Functionalized Linear Polyethylene via “Tandem Catalysis”
Macromolecules, 2016, 49, 4057

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