Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1502753 | CIF | C60 H55 N3 O2 S2 | P -1 | 12.5499; 14.0994; 14.8676 88.659; 71.166; 80.833 | 2457 | Balaji, Ganapathy; Parameswaran, Manoj; Jin, Tan Mein; Vijila, Chellappan; Furong, Zhu; Valiyaveettil, Suresh Synthesis and Hole-Transporting Properties of Highly FluorescentN-Aryl Dithieno[3,2-b:2′,3′-d]pyrrole-Based Oligomers The Journal of Physical Chemistry C, 2010, 114, 4628 |
| 1502754 | CIF | C8 H2 I2 S3 | P 1 21/n 1 | 13.223; 4.161; 19.785 90; 96.339; 90 | 1081.9 | Sánchez-Carrera, Roel S; Odom, Susan A.; Kinnibrugh, Tiffany L.; Sajoto, Tissa; Kim, Eung-Gun; Timofeeva, Tatiana V.; Barlow, Stephen; Coropceanu, Veaceslav; Marder, Seth R.; Brédas, Jean-Luc Electronic properties of the 2,6-diiododithieno[3,2-b:2',3'-d]thiophene molecule and crystal: a joint experimental and theoretical study. The journal of physical chemistry. B, 2010, 114, 749-755 |
| 1502755 | CIF | C22 H14 N4 O2 | P -1 | 8.7992; 8.8626; 13.2711 101.683; 91.357; 111.848 | 935.09 | Yang, Chih-Chiang; Hsu, Chia-Jung; Chou, Pi-Tai; Cheng, Hsu Chun; Su, Yuhlong Oliver; Leung, Man-kit Excited state luminescence of multi-(5-phenyl-1,3,4-oxadiazo-2-yl)benzenes in an electron-donating matrix: exciplex or electroplex? The journal of physical chemistry. B, 2010, 114, 756-768 |
| 1502756 | CIF | C22 H14 N4 O2 | P 21 21 21 | 5.404; 16.068; 20.4562 90; 90; 90 | 1776.24 | Yang, Chih-Chiang; Hsu, Chia-Jung; Chou, Pi-Tai; Cheng, Hsu Chun; Su, Yuhlong Oliver; Leung, Man-kit Excited state luminescence of multi-(5-phenyl-1,3,4-oxadiazo-2-yl)benzenes in an electron-donating matrix: exciplex or electroplex? The journal of physical chemistry. B, 2010, 114, 756-768 |
| 1502757 | CIF | C15 H10 O2 | P 1 21/n 1 | 3.89; 9.37; 29.06 90; 90.64; 90 | 1059.2 | Moré, René; Busse, Gerhard; Hallmann, Jörg; Paulmann, Carsten; Scholz, Mirko; Techert, Simone Photodimerization of Crystalline 9-Anthracenecarboxylic Acid: A Nontopotactic Autocatalytic Transformation The Journal of Physical Chemistry C, 2010, 114, 4142 |
| 1502758 | CIF | C15 H10 O2 | P 1 21/n 1 | 3.9; 9.37; 29.07 90; 90.64; 90 | 1062.2 | Moré, René; Busse, Gerhard; Hallmann, Jörg; Paulmann, Carsten; Scholz, Mirko; Techert, Simone Photodimerization of Crystalline 9-Anthracenecarboxylic Acid: A Nontopotactic Autocatalytic Transformation The Journal of Physical Chemistry C, 2010, 114, 4142 |
| 1502759 | CIF | C15 H16 O2 S | P 1 21/n 1 | 16.5638; 7.514; 20.8421 90; 99.4965; 90 | 2558.47 | Usman, Anwar; Asahi, Tsuyoshi; Sugiyama, Teruki; Masuhara, Hiroshi; Tohnai, Norimitsu; Miyata, Mikiji Photochemical reaction of p-hydroxycinnamic-thiophenyl ester in the microcrystalline state. The journal of physical chemistry. B, 2010, 114, 14233-14240 |
| 1502760 | CIF | C47 H49 N3 | P b c a | 11.408; 25.189; 28.093 90; 90; 90 | 8073 | Suwa, Kazuya; Otsuki, Joe; Goto, Kei Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines. The journal of physical chemistry. A, 2010, 114, 884-890 |
| 1502761 | CIF | C61 H61 N3 | P -1 | 11.4828; 12.8037; 17.557 103.938; 103.837; 98.1698 | 2377.3 | Suwa, Kazuya; Otsuki, Joe; Goto, Kei Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines. The journal of physical chemistry. A, 2010, 114, 884-890 |
| 1502762 | CIF | C61 H61 N3 O | P -1 | 13.967; 17.661; 20.091 95.541; 99.166; 96.727 | 4825 | Suwa, Kazuya; Otsuki, Joe; Goto, Kei Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines. The journal of physical chemistry. A, 2010, 114, 884-890 |
| 1502763 | CIF | C22 H23 Cl2 N3 O3 | P -1 | 8.239; 11.075; 13.52 103.205; 106.017; 105.297 | 1081.7 | Das, Amrita; Jana, Atish Dipankar; Seth, Saikat Kumar; Dey, Biswajit; Choudhury, Somnath Ray; Kar, Tanusree; Mukhopadhyay, Subrata; Singh, N. Jiten; Hwang, In-Chul; Kim, Kwang S. Intriguing pi(+)-pi Interaction in crystal packing. The journal of physical chemistry. B, 2010, 114, 4166-4170 |
| 1502764 | CIF | C22 H23 Br2 N3 O3 | P -1 | 8.2416; 11.2464; 13.9496 104.279; 106.169; 105.466 | 1122.6 | Das, Amrita; Jana, Atish Dipankar; Seth, Saikat Kumar; Dey, Biswajit; Choudhury, Somnath Ray; Kar, Tanusree; Mukhopadhyay, Subrata; Singh, N. Jiten; Hwang, In-Chul; Kim, Kwang S. Intriguing pi(+)-pi Interaction in crystal packing. The journal of physical chemistry. B, 2010, 114, 4166-4170 |
| 1502765 | CIF | C40 H28 O2 | C 1 2/c 1 | 16.698; 10.5516; 16.706 90; 98.437; 90 | 2911.6 | Wang, Weizhi; Lin, Tingting; Wang, Min; Liu, Tian-Xi; Ren, Lulu; Chen, Dan; Huang, Shu Aggregation emission properties of oligomers based on tetraphenylethylene. The journal of physical chemistry. B, 2010, 114, 5983-5988 |
| 1502766 | CIF | C54 H36 O4 | P -1 | 10.9819; 12.2293; 15.9624 78.216; 85.799; 72.961 | 2006.26 | Wang, Weizhi; Lin, Tingting; Wang, Min; Liu, Tian-Xi; Ren, Lulu; Chen, Dan; Huang, Shu Aggregation emission properties of oligomers based on tetraphenylethylene. The journal of physical chemistry. B, 2010, 114, 5983-5988 |
| 1502767 | CIF | C34 H30 N4 O | P 1 21/n 1 | 18.382; 5.7303; 25.034 90; 92.7; 90 | 2634 | Xu, Jialiang; Zheng, Haiyan; Liu, Huibiao; Zhou, Chunjie; Zhao, Yingjie; Li, Yongjun; Li, Yuliang Crystal Hierarchical Supramolecular Architectures from 1-D Precursor Single-Crystal Seeds The Journal of Physical Chemistry C, 2010, 114, 2925 |
| 1502768 | CIF | C26 H36 Cl2 Mg N8 O18 | P -1 | 7.146; 11.1812; 11.602 88.373; 81.837; 74.342 | 883.52 | Das, Amrita; Choudhury, Somnath Ray; Dey, Biswajit; Yalamanchili, Sampath Kumar; Helliwell, Madeleine; Gamez, Patrick; Mukhopadhyay, Subrata; Estarellas, Carolina; Frontera, Antonio Supramolecular assembly of Mg(II) complexes directed by associative lone pair-pi/pi-pi/pi-anion-pi/pi-lone pair interactions. The journal of physical chemistry. B, 2010, 114, 4998-5009 |
| 1502769 | CIF | C18 H34 Mg N4 O14 | P -1 | 7.534; 9.052; 10.428 93.37; 93.118; 112.237 | 654.9 | Das, Amrita; Choudhury, Somnath Ray; Dey, Biswajit; Yalamanchili, Sampath Kumar; Helliwell, Madeleine; Gamez, Patrick; Mukhopadhyay, Subrata; Estarellas, Carolina; Frontera, Antonio Supramolecular assembly of Mg(II) complexes directed by associative lone pair-pi/pi-pi/pi-anion-pi/pi-lone pair interactions. The journal of physical chemistry. B, 2010, 114, 4998-5009 |
| 1502770 | CIF | C23 H17 I2 N O2 S2 | P n a 21 | 8.628; 14.8751; 17.4444 90; 90; 90 | 2238.86 | Song, Changsik; Walker, D. Barney; Swager, Timothy M. Conducting Thiophene-Annulated Azepine Polymers Macromolecules, 2010, 43, 5233 |
| 1502771 | CIF | C25 H18 B N O | P -1 | 8.9304; 10.2803; 10.9208 107.466; 90.523; 104.484 | 922.1 | Tokoro, Yuichiro; Nagai, Atsushi; Chujo, Yoshiki Synthesis of π-Conjugated Polymers Containing Organoboron Benzo[h]quinolate in the Main Chain Macromolecules, 2010, 43, 6229 |
| 1502772 | CIF | C26 H20 N2 O S2 | P 1 21/c 1 | 17.0896; 7.5023; 16.288 90; 100.417; 90 | 2053.89 | Häussler, Matthias; Lok, Y. Phei; Chen, Ming; Jasieniak, Jacek; Adhikari, Raju; King, Simon P.; Haque, Saif A.; Forsyth, Craig M.; Winzenberg, Kevin; Watkins, Scott E.; Rizzardo, Ezio; Wilson, Gerard J. Benzothiadiazole-Containing Pendant Polymers Prepared by RAFT and Their Electro-Optical Properties Macromolecules, 2010, 43, 7101 |
| 1502773 | CIF | C30 H53 Mg N3 O2 Si2 | P 21 21 21 | 13.032; 14.817; 17.543 90; 90; 90 | 3387.5 | Wang, Liying; Ma, Haiyan Highly Active Magnesium Initiators for Ring-Opening Polymerization ofrac-Lactide Macromolecules, 2010, 43, 6535 |
| 1502774 | CIF | C32 H52 N2 Zr | P -1 | 9.1654; 17.1904; 21.4248 106.018; 97.63; 97.011 | 3170.9 | Kuhlman, Roger L.; Klosin, Jerzy Tuning Block Compositions of Polyethylene Multi-Block Copolymers by Catalyst Selection Macromolecules, 2010, 43, 7903 |
| 1502775 | CIF | C32 H52 Hf N2 | P -1 | 9.1512; 17.1942; 21.2757 105.558; 97.417; 96.995 | 3154.9 | Kuhlman, Roger L.; Klosin, Jerzy Tuning Block Compositions of Polyethylene Multi-Block Copolymers by Catalyst Selection Macromolecules, 2010, 43, 7903 |
| 1502776 | CIF | C28 H52 Hf N2 | P 1 21/c 1 | 17.7939; 9.7642; 17.6714 90; 99.741; 90 | 3026 | Kuhlman, Roger L.; Klosin, Jerzy Tuning Block Compositions of Polyethylene Multi-Block Copolymers by Catalyst Selection Macromolecules, 2010, 43, 7903 |
| 1502777 | CIF | C57 H116 O40 | P 21 21 21 | 28.29; 29.3; 8.01 90; 90; 90 | 6639 | Nishiyama, Yoshiharu; Mazeau, Karim; Morin, Morgane; Cardoso, Mateus B.; Chanzy, Henri; Putaux, Jean-Luc Molecular and Crystal Structure of 7-Fold V-Amylose Complexed with 2-Propanol Macromolecules, 2010, 43, 8628 |
| 1502778 | CIF | C20 H12 Br2 N2 Ni O2 | P b c a | 10.084; 14.552; 24.36 90; 90; 90 | 3574.6 | Fukumoto, Hiroki; Yamane, Kazuto; Kase, Yumiko; Yamamoto, Takakazu π-Conjugated Poly(aryleneethynylene)s Consisting of Salophen and Ni−Salophen Units in the π-Conjugated Main Chain: Preparation and Chemical Properties Macromolecules, 2010, 43, 10366 |
| 1502779 | CIF | C41 H39 Br Ir N3 | P 1 21/c 1 | 11.081; 25.643; 12.99 90; 102.64; 90 | 3601.7 | Yan, Qifan; Yue, Kan; Yu, Chao; Zhao, Dahui Oligo- and Polyfluorene-Tetheredfac-Ir(ppy)3: Substitution Effects Macromolecules, 2010, 43, 8479 |
| 1502780 | CIF | C41 H39 Br Ir N3 | C 1 c 1 | 11.597; 19.586; 15.383 90; 100.67; 90 | 3433.7 | Yan, Qifan; Yue, Kan; Yu, Chao; Zhao, Dahui Oligo- and Polyfluorene-Tetheredfac-Ir(ppy)3: Substitution Effects Macromolecules, 2010, 43, 8479 |
| 1502781 | CIF | C41 H38 Br2 Ir N3 | P 1 21/c 1 | 11.015; 25.825; 12.846 90; 102.17; 90 | 3572.1 | Yan, Qifan; Yue, Kan; Yu, Chao; Zhao, Dahui Oligo- and Polyfluorene-Tetheredfac-Ir(ppy)3: Substitution Effects Macromolecules, 2010, 43, 8479 |
| 1502782 | CIF | C29 H17 B F2 I2 N2 | P -1 | 7.4515; 11.6557; 15.1935 110.611; 93.971; 92.562 | 1228.8 | Nagai, Atsushi; Chujo, Yoshiki Aromatic Ring-Fused BODIPY-Based Conjugated Polymers Exhibiting Narrow Near-Infrared Emission Bands Macromolecules, 2010, 43, 193 |
| 1502783 | CIF | C50 H62 Si3 | P -1 | 12.4453; 13.3899; 16.7988 107.042; 91.713; 115.539 | 2375 | Liu, Jianzhao; Zhong, Yongchun; Lam, Jacky W. Y.; Lu, Ping; Hong, Yuning; Yu, Yong; Yue, Yanan; Faisal, Mahtab; Sung, Herman H. Y.; Williams, Ian D.; Wong, Kam Sing; Tang, Ben Zhong Hyperbranched Conjugated Polysiloles: Synthesis, Structure, Aggregation-Enhanced Emission, Multicolor Fluorescent Photopatterning, and Superamplified Detection of Explosives Macromolecules, 2010, 43, 4921 |
| 1502784 | CIF | C78 H57 B Cl2 F20 N2 Ni O2 | P -1 | 14.532; 16.824; 17.536 64.33; 89.93; 71.81 | 3625.8 | Wegner, Marcus M.; Ott, Anna K.; Rieger, Bernhard Gas Phase Polymerization of Ethylene with Supported α-Diimine Nickel(II) Catalysts Macromolecules, 2010, 43, 3624 |
| 1502785 | CIF | C49 H74 Co3 N4 O10 | P -1 | 10.0735; 13.7187; 19.7827 77.02; 78.813; 80.483 | 2592.12 | Kember, Michael R.; White, Andrew J. P.; Williams, Charlotte K. Highly Active Di- and Trimetallic Cobalt Catalysts for the Copolymerization of CHO and CO2at Atmospheric Pressure Macromolecules, 2010, 43, 2291 |
| 1502786 | CIF | C49 H86 Co2 N4 O9 | C 1 2/c 1 | 40.1077; 11.9548; 27.7661 90; 128.183; 90 | 10464.8 | Kember, Michael R.; White, Andrew J. P.; Williams, Charlotte K. Highly Active Di- and Trimetallic Cobalt Catalysts for the Copolymerization of CHO and CO2at Atmospheric Pressure Macromolecules, 2010, 43, 2291 |
| 1502787 | CIF | C32 H48 B2 Ge O4 | P 1 21/c 1 | 15.597; 18.542; 11.201 90; 94.484; 90 | 3229.4 | Allard, Nicolas; Aïch, Réda Badrou; Gendron, David; Boudreault, Pierre-Luc T.; Tessier, Christian; Alem, Salima; Tse, Shing-Chi; Tao, Ye; Leclerc, Mario Germafluorenes: New Heterocycles for Plastic Electronics Macromolecules, 2010, 43, 2328 |
| 1502788 | CIF | C40 H64 B2 Ge O4 | P 1 21/c 1 | 19.72; 19.029; 10.873 90; 94.88; 90 | 4065 | Allard, Nicolas; Aïch, Réda Badrou; Gendron, David; Boudreault, Pierre-Luc T.; Tessier, Christian; Alem, Salima; Tse, Shing-Chi; Tao, Ye; Leclerc, Mario Germafluorenes: New Heterocycles for Plastic Electronics Macromolecules, 2010, 43, 2328 |
| 1502789 | CIF | C79 H104 Cl4 O2 Si2 Ti2 | C 1 2/c 1 | 26.407; 14.346; 20.052 90; 96.115; 90 | 7553 | Senda, Taichi; Hanaoka, Hidenori; Nakahara, Shinya; Oda, Yoshiaki; Tsurugi, Hayato; Mashima, Kazushi Rational Design of Silicon-Bridged Fluorenyl−Phenoxy Group 4 Metal Complexes as Catalysts for Producing High Molecular Weight Copolymers of Ethylene and 1-Hexene at Elevated Temperature Macromolecules, 2010, 43, 2299 |
| 1502790 | CIF | C34 H44 O Si | P -1 | 9.23; 10.5413; 15.742 96.051; 97.568; 95.234 | 1501.2 | Senda, Taichi; Hanaoka, Hidenori; Nakahara, Shinya; Oda, Yoshiaki; Tsurugi, Hayato; Mashima, Kazushi Rational Design of Silicon-Bridged Fluorenyl−Phenoxy Group 4 Metal Complexes as Catalysts for Producing High Molecular Weight Copolymers of Ethylene and 1-Hexene at Elevated Temperature Macromolecules, 2010, 43, 2299 |
| 1502791 | CIF | C17 H18 O6 | P 1 21 1 | 8.032; 8.278; 11.532 90; 99.19; 90 | 756.9 | Chou, Tsung-Hsien; Chen, Jih-Jung; Lee, Shiow-Ju; Chiang, Michael Y.; Yang, Cheng-Wei; Chen, Ih-Sheng Cytotoxic flavonoids from the leaves of Cryptocarya chinensis. Journal of natural products, 2010, 73, 1470-1475 |
| 1502792 | CIF | C15 H14 O5 | P 21 21 21 | 5.7411; 9.4947; 24.665 90; 90; 90 | 1344.5 | Lin, Jie; Liu, Shuchun; Sun, Bingda; Niu, Shubin; Li, Erwei; Liu, Xingzhong; Che, Yongsheng Polyketides from the ascomycete fungus Leptosphaeria sp. Journal of natural products, 2010, 73, 905-910 |
| 1502793 | CIF | C20 H30 O3 | C 1 2/c 1 | 23.345; 10.44; 17.519 90; 123.19; 90 | 3573.2 | Zou, Guo-An; Ding, Gang; Su, Zhi-Heng; Yang, Jun-Shan; Zhang, Hone-Wu; Peng, Chao-Zhong; Aisa, Haiji Akber; Zou, Zhong-Mei Lactonecembranoids from Croton laevigatus. Journal of natural products, 2010, 73, 792-795 |
| 1502794 | CIF | C30 H48 O13 | P 21 21 21 | 9.1827; 18.1165; 18.6612 90; 90; 90 | 3104.4 | Cheng, Yuan-Bin; Liao, Tzu-Ching; Lo, Yi-Wen; Chen, Yu-Chen; Kuo, Yuh-Chi; Chen, Shun-Ying; Chien, Ching-Te; Hwang, Tsong-Long; Shen, Ya-Ching Nortriterpene lactones from the fruits of Schisandra arisanensis. Journal of natural products, 2010, 73, 1228-1233 |
| 1502795 | CIF | C29 H36 O11 | P 1 21 1 | 8.797; 9.901; 15.9022 90; 99.925; 90 | 1364.34 | Cheng, Yuan-Bin; Liao, Tzu-Ching; Lo, Yi-Wen; Chen, Yu-Chen; Kuo, Yuh-Chi; Chen, Shun-Ying; Chien, Ching-Te; Hwang, Tsong-Long; Shen, Ya-Ching Nortriterpene lactones from the fruits of Schisandra arisanensis. Journal of natural products, 2010, 73, 1228-1233 |
| 1502796 | CIF | C20 H30 O2 | P 1 21 1 | 9.7774; 10.7185; 17.521 90; 90.174; 90 | 1836.2 | Wei, Xiaomei; Rodríguez, Abimael D; Baran, Peter; Raptis, Raphael G. Dolabellane-type diterpenoids with antiprotozoan activity from a southwestern Caribbean gorgonian octocoral of the genus Eunicea. Journal of natural products, 2010, 73, 925-934 |
| 1502797 | CIF | C20 H30 O2 | P 1 21 1 | 8.2674; 8.6702; 12.79 90; 99.451; 90 | 904.3 | Wei, Xiaomei; Rodríguez, Abimael D; Baran, Peter; Raptis, Raphael G. Dolabellane-type diterpenoids with antiprotozoan activity from a southwestern Caribbean gorgonian octocoral of the genus Eunicea. Journal of natural products, 2010, 73, 925-934 |
| 1502798 | CIF | C20 H30 O2 | P 21 21 2 | 11.1485; 21.716; 7.59 90; 90; 90 | 1837.5 | Wei, Xiaomei; Rodríguez, Abimael D; Baran, Peter; Raptis, Raphael G. Dolabellane-type diterpenoids with antiprotozoan activity from a southwestern Caribbean gorgonian octocoral of the genus Eunicea. Journal of natural products, 2010, 73, 925-934 |
| 1502799 | CIF | C22 H32 O4 | P 21 21 21 | 8.9941; 12.14; 18.745 90; 90; 90 | 2046.7 | Wei, Xiaomei; Rodríguez, Abimael D; Baran, Peter; Raptis, Raphael G. Dolabellane-type diterpenoids with antiprotozoan activity from a southwestern Caribbean gorgonian octocoral of the genus Eunicea. Journal of natural products, 2010, 73, 925-934 |
| 1502800 | CIF | C18 H20 N2 O8 S3 | P 1 21 1 | 6.5869; 8.1866; 17.513 90; 95.2; 90 | 940.5 | Wang, Jia-Ming; Ding, Guang-Zhi; Fang, Lei; Dai, Jun-Gui; Yu, Shi-Shan; Wang, Ying-Hong; Chen, Xiao-Guang; Ma, Shuang-Gang; Qu, Jing; Xu, Song; Du, Dan Thiodiketopiperazines produced by the endophytic fungus Epicoccum nigrum. Journal of natural products, 2010, 73, 1240-1249 |
| 1502801 | CIF | C19 H20 N2 O5 S2 | P 1 21 1 | 10.823; 8.2414; 11.223 90; 115.69; 90 | 902.1 | Wang, Jia-Ming; Ding, Guang-Zhi; Fang, Lei; Dai, Jun-Gui; Yu, Shi-Shan; Wang, Ying-Hong; Chen, Xiao-Guang; Ma, Shuang-Gang; Qu, Jing; Xu, Song; Du, Dan Thiodiketopiperazines produced by the endophytic fungus Epicoccum nigrum. Journal of natural products, 2010, 73, 1240-1249 |
| 1502802 | CIF | C20 H34 N2 O10 S2 | P 1 21 1 | 10.949; 8.7488; 13.036 90; 99.22; 90 | 1232.6 | Wang, Jia-Ming; Ding, Guang-Zhi; Fang, Lei; Dai, Jun-Gui; Yu, Shi-Shan; Wang, Ying-Hong; Chen, Xiao-Guang; Ma, Shuang-Gang; Qu, Jing; Xu, Song; Du, Dan Thiodiketopiperazines produced by the endophytic fungus Epicoccum nigrum. Journal of natural products, 2010, 73, 1240-1249 |
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