Crystallography Open Database

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1553514 CIFC24 H20 O2 SP 1 21/n 19.2961; 10.1519; 20.823
90; 102.267; 90
1920.26Fu, Rong; Hao, Wen-Juan; Wu, Ya-Nan; Wang, Nan-Nan; Tu, Shu-Jiang; Li, Guigen; Jiang, Bo
Sulfonyl radical-enabled 6-endo-trig cyclization for regiospecific synthesis of unsymmetrical diaryl sulfones
Organic Chemistry Frontiers, 2016, 3, 1452
1553515 CIFC27 H20 O2 SP 1 21/c 17.0521; 28.03; 10.4649
90; 100.069; 90
2036.7Fu, Rong; Hao, Wen-Juan; Wu, Ya-Nan; Wang, Nan-Nan; Tu, Shu-Jiang; Li, Guigen; Jiang, Bo
Sulfonyl radical-enabled 6-endo-trig cyclization for regiospecific synthesis of unsymmetrical diaryl sulfones
Organic Chemistry Frontiers, 2016, 3, 1452
1553516 CIFC33 H35 N O4 SP 1 21/c 115.4186; 11.3388; 16.9081
90; 107.55; 90
2818.4Lv, Leiyang; Bai, Xiaohui; Yan, Xiaoyu; Li, Zhiping
Iron-catalyzed decarbonylation initiated [2 + 2 + m] annulation of benzene-linked 1,n-enynes with aliphatic aldehydes
Organic Chemistry Frontiers, 2016, 3, 1509
1553517 CIFC29 H26 N2 O5 SP -18.3151; 8.625; 18.7838
99.74; 96.686; 104.017
1270.61Sharma, Pankaj; Kumar, Niggula Praveen; Krishna, Namballa Hari; Prasanna, Daasi; Sridhar, Balasubramanian; Shankaraiah, Nagula
Silver(i)-catalysed domino alkyne-annulation/Diels–Alder reaction: a mild synthetic approach to tetrahydrospiro[carbazole-4,3′-indoline] scaffolds
Organic Chemistry Frontiers, 2016, 3, 1503
1553518 CIFC14 H17 F3 N2 O3 SP 1 21/n 18.849; 10.773; 17.758
90; 91.599; 90
1692.2Li, Yuewen; Xiang, Yuanchao; Li, Zhiming; Wu, Jie
Direct vicinal difunctionalization of alkynes through trifluoromethylation and aminosulfonylation via insertion of sulfur dioxide under catalyst-free conditions
Organic Chemistry Frontiers, 2016, 3, 1493
1553528 CIFC22 H32 O2 SiP b c a12.7034; 11.6077; 28.683
90; 90; 90
4229.5Liu, Zhen; Xia, Ying; Feng, Sheng; Zhang, Yan; Wang, Jianbo
Rh(i)-Catalyzed coupling of 2-bromoethyl aryldiazoacetates with tertiary propargyl alcohols through carbene migratory insertion
Organic Chemistry Frontiers, 2016, 3, 1691
1553529 CIFC24 H19 N O3P -19.3034; 9.6541; 11.6687
101.875; 106.962; 96.397
964.39Duan, Jindian; Cheng, Yuyu; Li, Rou; Li, Pengfei
Synthesis of spiro[indane-1,3-dione-1-pyrrolines] via copper-catalyzed heteroannulation of ketoxime acetates with 2-arylideneindane-1,3-diones
Organic Chemistry Frontiers, 2016, 3, 1614
1553532 CIFC18 H16 O SP b c a11.1348; 10.8734; 24.741
90; 90; 90
2995.5An, Zhenyu; She, Yue; Yang, Xiaodong; Pang, Xiaobo; Yan, Rulong
Metal-free synthesis of 3-methylthiofurans from homopropargylic alcohols and DMSO via a tandem sulfenylation/cyclization reaction in a one-pot manner
Organic Chemistry Frontiers, 2016, 3, 1746
1553533 CIFC24 H21 N OP 1 21/c 19.2943; 18.714; 20.557
90; 95.79; 90
3557.3Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua
Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling
Organic Chemistry Frontiers, 2016, 3, 1668
1553534 CIFC24 H19 NP b c a11.335; 7.4991; 37.869
90; 90; 90
3219Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua
Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling
Organic Chemistry Frontiers, 2016, 3, 1668
1553535 CIFC42 H34 Cl7 N3 PdP -110.641; 10.978; 17.744
100.04; 106.43; 93.41
1944.7Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua
Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling
Organic Chemistry Frontiers, 2016, 3, 1668
1553536 CIFC44 H40 Cl N3 PdR -3 :H36.49; 36.49; 21.305
90; 90; 120
24567Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua
Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling
Organic Chemistry Frontiers, 2016, 3, 1668
1553537 CIFC33 H25 Cl3 N2 O PdP 1 21/c 111.611; 19.188; 13.466
90; 113.15; 90
2758.5Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua
Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling
Organic Chemistry Frontiers, 2016, 3, 1668
1553538 CIFC34 H27 Cl N2 O PdP 1 21/n 114.187; 12.38; 14.674
90; 92.59; 90
2574.6Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua
Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling
Organic Chemistry Frontiers, 2016, 3, 1668
1553539 CIFC40 H33 N3 O0P 1 21/c 111.91; 32.793; 9.4655
90; 113.37; 90
3393.6Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua
Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling
Organic Chemistry Frontiers, 2016, 3, 1668
1553540 CIFC50 H50 N2 O6 S2P 1 21/c 112.0255; 18.091; 10.1121
90; 105.935; 90
2115.4Michelet, Bastien; Tang, Shun; Thiery, Guillaume; Monot, Julien; Li, Huijing; Guillot, Régis; Bour, Christophe; Gandon, Vincent
Catalytic applications of [IPr·GaX2][SbF6] and related species
Organic Chemistry Frontiers, 2016, 3, 1603
1553541 CIFC18 H22 O4P b c a7.6825; 17.5861; 22.9639
90; 90; 90
3102.5Michelet, Bastien; Tang, Shun; Thiery, Guillaume; Monot, Julien; Li, Huijing; Guillot, Régis; Bour, Christophe; Gandon, Vincent
Catalytic applications of [IPr·GaX2][SbF6] and related species
Organic Chemistry Frontiers, 2016, 3, 1603
1553542 CIFC20 H13 F SP 1 21/c 16.0149; 13.4117; 18.2153
90; 91.601; 90
1468.86Wang, Xiaoming; Gensch, Tobias; Glorius, Frank
Highly selective synthesis of 6-substituted benzothiophenes by Sc(OTf)3-catalyzed intermolecular cyclization and sulfur migration
Organic Chemistry Frontiers, 2016, 3, 1619
1553546 CIFC24 H28 O8P 1 21/c 116.1503; 8.3426; 18.1574
90; 108.184; 90
2324.3Cao, Tao; Ma, Shengming
Nickel-catalyzed alkyl-zincation and carboxylation of diynes
Organic Chemistry Frontiers, 2016, 3, 1711
1553553 CIFC19 H17 Cl OP 1 21 15.828; 8.2327; 16.8844
90; 98.492; 90
801.23Luo, Hongwen; Yu, Yihua; Ma, Shengming
Suzuki coupling for preparation of allenes – ligand effects and chirality transfer
Organic Chemistry Frontiers, 2016, 3, 1705
1553655 CIFC72 H84 N12R -3 :H24.741; 24.741; 19.826
90; 90; 120
10510Slater, A. G.; Little, M. A.; Briggs, M. E.; Jelfs, K. E.; Cooper, A. I.
A solution-processable dissymmetric porous organic cage
Molecular Systems Design & Engineering, 2018, 3, 223
1553656 CIFC73.1 H89.96 Cl1.55 N12 O1.89R -3 :H24.483; 24.483; 19.6123
90; 90; 120
10181Slater, A. G.; Little, M. A.; Briggs, M. E.; Jelfs, K. E.; Cooper, A. I.
A solution-processable dissymmetric porous organic cage
Molecular Systems Design & Engineering, 2018, 3, 223
1553657 CIFC4 H18 N2 O22 Se6 V3P -110.0027; 10.4765; 12.2924
74.478; 72.643; 79.707
1177.8Xu, Rosalind J.; Olshansky, Jacob H.; Adler, Philip D. F.; Huang, Yongjia; Smith, Matthew D.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.
Understanding structural adaptability: a reactant informatics approach to experiment design
Molecular Systems Design & Engineering, 2018, 3, 473
1553658 CIFC4 H12 N2 O10 Se2 V2P 1 21/c 110.0879; 6.2047; 10.6765
90; 116.566; 90
597.71Xu, Rosalind J.; Olshansky, Jacob H.; Adler, Philip D. F.; Huang, Yongjia; Smith, Matthew D.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.
Understanding structural adaptability: a reactant informatics approach to experiment design
Molecular Systems Design & Engineering, 2018, 3, 473
1553659 CIFC8 H44 N4 O48 Se12 V6C 1 2/c 118.816; 7.934; 34.439
90; 95.85; 90
5114Xu, Rosalind J.; Olshansky, Jacob H.; Adler, Philip D. F.; Huang, Yongjia; Smith, Matthew D.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.
Understanding structural adaptability: a reactant informatics approach to experiment design
Molecular Systems Design & Engineering, 2018, 3, 473
1553660 CIFC8 H58.67 N6 O65.33 Se16 V8P 1 21/c 117.999; 15.658; 26.0344
90; 113.803; 90
6713.1Xu, Rosalind J.; Olshansky, Jacob H.; Adler, Philip D. F.; Huang, Yongjia; Smith, Matthew D.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.
Understanding structural adaptability: a reactant informatics approach to experiment design
Molecular Systems Design & Engineering, 2018, 3, 473
1553661 CIFC8 H43 N4 O47 Se12 V6P 1 21/c 124.713; 7.9212; 34.399
90; 130.376; 90
5129.9Xu, Rosalind J.; Olshansky, Jacob H.; Adler, Philip D. F.; Huang, Yongjia; Smith, Matthew D.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.
Understanding structural adaptability: a reactant informatics approach to experiment design
Molecular Systems Design & Engineering, 2018, 3, 473
1554236 CIFC25 H20 SP 18.886; 10.971; 11.261
64.477; 78.704; 77.452
960.5Wang, Can; Yu, Yun; Chai, Zhaofei; He, Fangdi; Wu, Chaozheng; Gong, Yanbin; Han, Mengmeng; Li, Qianqian; Li, Zhen
Recyclable mechanoluminescent luminogen: different polymorphs, different self-assembly effects of the thiophene moiety and recovered molecular packing via simple thermal-treatment
Materials Chemistry Frontiers, 2019, 3, 32
1554237 CIFC25 H20 SP 21 21 215.988; 7.36; 45.02
90; 90; 90
1984.1Wang, Can; Yu, Yun; Chai, Zhaofei; He, Fangdi; Wu, Chaozheng; Gong, Yanbin; Han, Mengmeng; Li, Qianqian; Li, Zhen
Recyclable mechanoluminescent luminogen: different polymorphs, different self-assembly effects of the thiophene moiety and recovered molecular packing via simple thermal-treatment
Materials Chemistry Frontiers, 2019, 3, 32
1554238 CIFC61 H55 N5 O2 SP -113.5619; 13.7951; 15.3779
110.309; 101.188; 97.849
2581.1Yu, Hai-Xia; Zhi, Junge; Chang, Zheng-Feng; Shen, Tianjiao; Ding, Wei-Lu; Zhang, Xiaoling; Wang, Jin-Liang
Rational design of aggregation-induced emission sensor based on Rhodamine B for turn-on sensing of trivalent metal cations, reversible data protection, and bioimaging
Materials Chemistry Frontiers, 2019, 3, 151
1554239 CIFC40 H37 F6 N O2 PP 1 21/c 111.951; 15.59; 18.828
90; 97.29; 90
3479.6Ren, Fei; Liu, Pai; Gao, Yu; Shi, Jianbing; Tong, Bin; Cai, Zhengxu; Dong, Yuping
Real time bioimaging for mitochondria by taking the aggregation process of aggregation-induced emission near-infrared dyes with wash-free staining
Materials Chemistry Frontiers, 2019, 3, 57
1554240 CIFC25 H14 N4 O SP 1 21/c 117.804; 9.217; 12.5258
90; 107.795; 90
1957.1Wang, Ya-Kun; Huang, Chen-Chao; Kumar, Sarvendra; Wu, Sheng-Fan; Yuan, Yi; Aziz Khan, Aziz Khan; Jiang, Zuo-Quan; Fung, Man-Keung; Liao, Liang-Sheng
The roles of thermally activated delayed fluorescence sensitizers for efficient red fluorescent organic light-emitting diodes with D–A–A type emitters
Materials Chemistry Frontiers, 2019, 3, 161
1554241 CIFC109 H80 N16 O10 S4P -111.8289; 20.0485; 21.3871
105.379; 102.037; 99.001
4660.7Wang, Ya-Kun; Huang, Chen-Chao; Kumar, Sarvendra; Wu, Sheng-Fan; Yuan, Yi; Aziz Khan, Aziz Khan; Jiang, Zuo-Quan; Fung, Man-Keung; Liao, Liang-Sheng
The roles of thermally activated delayed fluorescence sensitizers for efficient red fluorescent organic light-emitting diodes with D‒A‒A type emitters
Materials Chemistry Frontiers, 2019, 3, 161
1554242 CIFC23 H17 N3 O3P 1 21 110.83; 7.65; 12.063
90; 103.07; 90
973.5He, Yanling; Li, Yuanyuan; Su, Huifang; Si, Yue; Liu, Yuanyuan; Peng, Qiuchen; He, Juan; Hou, Hongwei; Li, Kai
An o-phthalimide-based multistimuli-responsive aggregation-induced emission (AIE) system
Materials Chemistry Frontiers, 2019, 3, 50
1554243 CIFC47 H38 Cl2 N2 OP 1 21/c 120.728; 11.337; 17.818
90; 107.633; 90
3990Lin, Tingting; Su, Xing; Wang, Kai; Li, Minjie; Guo, Hongwei; Liu, Lulu; Zou, Bo; Zhang, Yu-Mo; Liu, Yifei; Zhang, Sean Xiao-An
An AIE fluorescent switch with multi-stimuli responsive properties and applications for quantitatively detecting pH value, sulfite anion and hydrostatic pressure
Materials Chemistry Frontiers, 2019, 3, 1052
1554244 CIFC41 H33 N3 O2P 1 21/c 115.538; 13.276; 16.39
90; 101.907; 90
3308.2Shimizu, Masaki; Tamagawa, Tomokazu; Nishimura, Kenta
4,5-Diaminophthalimides: highly efficient solid-state fluorophores and turn-on type fluorescent probes for hydrazine
Materials Chemistry Frontiers, 2019, 3, 563
1554245 CIFC29 H20 N2P c a 218.7745; 11.508; 20.298
90; 90; 90
2049.6Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping
A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence
Materials Chemistry Frontiers, 2019, 3, 284
1554246 CIFC29 H23 N OP c a 2145.21; 6.1483; 7.449
90; 90; 90
2070.6Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping
A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence
Materials Chemistry Frontiers, 2019, 3, 284
1554247 CIFC31 H27 NC 1 c 142.454; 11.064; 9.786
90; 94.49; 90
4582.5Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping
A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence
Materials Chemistry Frontiers, 2019, 3, 284
1554248 CIFC29 H23 N OC 1 2/c 131.66; 5.901; 22.932
90; 100.11; 90
4217.8Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping
A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence
Materials Chemistry Frontiers, 2019, 3, 284
1554249 CIFC32 H27 N3 OP 1 21/c 123.528; 6.0582; 17.914
90; 93.56; 90
2548.5Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping
A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence
Materials Chemistry Frontiers, 2019, 3, 284
1554250 CIFC29 H20 N2P -18.4662; 15.145; 17.692
106.62; 95.32; 91.57
2160.9Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping
A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence
Materials Chemistry Frontiers, 2019, 3, 284
1554251 CIFC37 H36 N4 O4 SP 1 21/n 111.695; 19.14; 15.289
90; 111.7; 90
3179.8Liu, Xuedan; Li, Aisen; Xu, Weiqing; Ma, Zhiyong; Jia, Xinru
An ESIPT-based fluorescent switch with AIEE, solvatochromism, mechanochromism and photochromism
Materials Chemistry Frontiers, 2019, 3, 620
1554252 CIFC45 H29 N5P -18.9145; 13.2762; 14.5859
110.467; 98.648; 96.716
1571.88Cao, Chen; Chen, Wen-Cheng; Tian, Shuang; Chen, Jia-Xiong; Wang, Zhong-Yi; Zheng, Xu-Hui; Ding, Chong-Wei; Li, Jing-Hong; Zhu, Jie-Ji; Zhu, Ze-Lin; Tong, Qing-Xiao; Lee, Chun-Sing
A novel D–π–A blue fluorophore based on [1,2,4]triazolo[1,5-a]pyridine as an electron acceptor and its application in organic light-emitting diodes
Materials Chemistry Frontiers, 2019, 3, 1071
1554611 CIFC63 H46 Cu F6 N4 O P3P -111.2628; 12.4158; 21.9828
83.055; 78.448; 87.667
2989.2Giereth, Robin; Reim, Immanuel; Frey, Wolfgang; Junge, Henrik; Tschierlei, Stefanie; Karnahl, Michael
Remarkably long-lived excited states of copper photosensitizers containing an extended π-system based on an anthracene moiety
Sustainable Energy & Fuels, 2019, 3, 692
1554612 CIFC48 H28 Cu F6 N8 PP -18.1362; 10.6863; 22.4625
86.186; 81.28; 87.085
1924.5Giereth, Robin; Reim, Immanuel; Frey, Wolfgang; Junge, Henrik; Tschierlei, Stefanie; Karnahl, Michael
Remarkably long-lived excited states of copper photosensitizers containing an extended π-system based on an anthracene moiety
Sustainable Energy & Fuels, 2019, 3, 692
1554613 CIFC22.5 H28 K0.5 N6 Ni0.5 O3P -112.9939; 13.5751; 14.0727
78.667; 85.315; 77.907
2377.8Dubrawski, Zachary; Heidebrecht, Joshua; Puerta Lombardi, Braulio M.; Hyla, Alexander S.; Willkomm, Janina; Radford, Chase L.; Lin, Jian-Bin; Welch, Gregory C.; Ponnurangam, Sathish; Roesler, Roland; Prokopchuk, Demyan E.; Piers, Warren E.
Ligand-centered electrochemical processes enable CO2 reduction with a nickel bis(triazapentadienyl) complex
Sustainable Energy & Fuels, 2019, 3, 1172
1554614 CIFC36 H44 K2 N10 O3P 1 21/c 123.3268; 7.362; 22.2054
90; 94.794; 90
3800Dubrawski, Zachary; Heidebrecht, Joshua; Puerta Lombardi, Braulio M.; Hyla, Alexander S.; Willkomm, Janina; Radford, Chase L.; Lin, Jian-Bin; Welch, Gregory C.; Ponnurangam, Sathish; Roesler, Roland; Prokopchuk, Demyan E.; Piers, Warren E.
Ligand-centered electrochemical processes enable CO2 reduction with a nickel bis(triazapentadienyl) complex
Sustainable Energy & Fuels, 2019, 3, 1172
1554615 CIFC24 H20 N10 NiP 1 21/n 17.7492; 16.392; 8.8505
90; 101.096; 90
1103.2Dubrawski, Zachary; Heidebrecht, Joshua; Puerta Lombardi, Braulio M.; Hyla, Alexander S.; Willkomm, Janina; Radford, Chase L.; Lin, Jian-Bin; Welch, Gregory C.; Ponnurangam, Sathish; Roesler, Roland; Prokopchuk, Demyan E.; Piers, Warren E.
Ligand-centered electrochemical processes enable CO2 reduction with a nickel bis(triazapentadienyl) complex
Sustainable Energy & Fuels, 2019, 3, 1172
1554632 CIFC39 H32 F6 Ir N3 O0 S2C 1 2/c 126.026; 12.94; 22.386
90; 97.214; 90
7479.4Lu, Guang-Zhao; Wu, Ruixia; Liu, Liang; Zhou, Liang; Zheng, You-Xuan; Zhang, Wen-Wei; Zuo, Jing-Lin; Zhang, Hongjie
A series of red iridium(iii) complexes using flexible dithiocarbamate derivatives as ancillary ligands for highly efficient phosphorescent OLEDs
Materials Chemistry Frontiers, 2019, 3, 860

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