Crystallography Open Database
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Searching journal of publication like 'Journal of Combinatorial Chemistry'
| COD ID: 1502626 | |
| CIF file | Formula: - C17 H16 Br N O3 S - Comments: Yao, Chang-Sheng; Wang, Cui-Hua; Jiang, Bei; Tu, Shu-Jiang One-pot combinatorial synthesis of 4-aryl-1H-thiopyrano[3,4-b]pyridine-5-one derivatives. Journal of combinatorial chemistry 12(4) (2010) 472-475 Space group: P 1 21/n 1 Cell volume: 1629.89 Cell parameters: 7.9826; 15.1896; 14.0058; 90; 106.311; 90; |
| COD ID: 1502627 | |
| CIF file | Formula: - C27 H26 Cl N O2 S - Comments: Yao, Chang-Sheng; Wang, Cui-Hua; Jiang, Bei; Tu, Shu-Jiang One-pot combinatorial synthesis of 4-aryl-1H-thiopyrano[3,4-b]pyridine-5-one derivatives. Journal of combinatorial chemistry 12(4) (2010) 472-475 Space group: P 1 21/n 1 Cell volume: 2377.21 Cell parameters: 14.7445; 11.168; 15.5403; 90; 111.725; 90; |
| COD ID: 1502628 | |
| CIF file | Formula: - C24 H27 Cl2 N3 O S - Comments: Han, Minsoo; Nam, Kee Dal; Shin, Dongyun; Jeong, Nakcheol; Hahn, Hoh-Gyu Exploration of novel 2-alkylimino-1,3-thiazolines: T-type calcium channel inhibitory activity. Journal of combinatorial chemistry 12(4) (2010) 518-530 Space group: C 1 2/c 1 Cell volume: 4726.2 Cell parameters: 22.27; 11.0361; 19.418; 90; 97.983; 90; |
| COD ID: 1502629 | |
| CIF file | Formula: - C30 H34 Cl N3 O2 S - Comments: Han, Minsoo; Nam, Kee Dal; Shin, Dongyun; Jeong, Nakcheol; Hahn, Hoh-Gyu Exploration of novel 2-alkylimino-1,3-thiazolines: T-type calcium channel inhibitory activity. Journal of combinatorial chemistry 12(4) (2010) 518-530 Space group: C 1 2/c 1 Cell volume: 5511 Cell parameters: 38.497; 12.466; 11.636; 90; 99.309; 90; |
| COD ID: 1502630 | |
| CIF file | Formula: - C17 H17 F O3 - Comments: Ramachary, Dhevalapally B.; Ramakumar, Kinthada; Bharanishashank, Adluri; Narayana, Vidadala V. Sequential one-pot combination of multireactions through multicatalysis: a general approach to rapid assembly of functionalized push-pull olefins, phenols, and 2-methyl-2H-chromenes. Journal of combinatorial chemistry 12(6) (2010) 855-876 Space group: P 1 21/c 1 Cell volume: 1454.6 Cell parameters: 9.6423; 20.332; 7.4807; 90; 97.331; 90; |
| COD ID: 1502631 | |
| CIF file | Formula: - C19 H19 N O5 - Comments: Ramachary, Dhevalapally B.; Ramakumar, Kinthada; Bharanishashank, Adluri; Narayana, Vidadala V. Sequential one-pot combination of multireactions through multicatalysis: a general approach to rapid assembly of functionalized push-pull olefins, phenols, and 2-methyl-2H-chromenes. Journal of combinatorial chemistry 12(6) (2010) 855-876 Space group: P -1 Cell volume: 848.2 Cell parameters: 8.025; 8.415; 14.351; 87.633; 83.514; 61.76; |
| COD ID: 1502632 | |
| CIF file | Formula: - C19 H14 N2 O2 - Comments: Li, Dewen; Duan, Shudong; Hu, Youhong Three-component one-pot approach to synthesize benzopyrano[4,3-d]pyrimidines. Journal of combinatorial chemistry 12(6) (2010) 895-899 Space group: P 1 21/c 1 Cell volume: 1473.7 Cell parameters: 17.3823; 5.3652; 16.7899; 90; 109.752; 90; |
| COD ID: 1502633 | |
| CIF file | Formula: - C25 H20 N4 S2 - Comments: Han, Zheng-Guo; Miao, Chun-Bao; Shi, Feng; Ma, Ning; Zhang, Ge; Tu, Shu-Jiang Diversity Synthesis of N-Substituted 2-Amino-1,6-naphthyridine Derivatives under Microwave Irradiation Journal of Combinatorial Chemistry 12(1) (2010) 16 Space group: P 1 21/n 1 Cell volume: 2179.3 Cell parameters: 11.0619; 11.2598; 17.5329; 90; 93.662; 90; |
| COD ID: 1502634 | |
| CIF file | Formula: - C22 H35 N3 O2.5 S0.5 - Comments: Shaabani, Ahmad; Maleki, Ali; Hajishaabanha, Fatemeh; Mofakham, Hamid; Seyyedhamzeh, Mozhdeh; Mahyari, Mojtaba; Ng, Seik Weng Novel Syntheses of Tetrahydrobenzodiazepines and Dihydropyrazines via Isocyanide-Based Multicomponent Reactions of Diamines Journal of Combinatorial Chemistry 12(1) (2010) 186 Space group: C 1 2/c 1 Cell volume: 9277.2 Cell parameters: 27.1869; 10.2149; 34.7688; 90; 106.095; 90; |
| COD ID: 1502635 | |
| CIF file | Formula: - C18 H25 N3 O2 - Comments: Shaabani, Ahmad; Maleki, Ali; Hajishaabanha, Fatemeh; Mofakham, Hamid; Seyyedhamzeh, Mozhdeh; Mahyari, Mojtaba; Ng, Seik Weng Novel Syntheses of Tetrahydrobenzodiazepines and Dihydropyrazines via Isocyanide-Based Multicomponent Reactions of Diamines Journal of Combinatorial Chemistry 12(1) (2010) 186 Space group: P 1 21/n 1 Cell volume: 1746.42 Cell parameters: 5.7118; 25.8049; 11.8905; 90; 94.801; 90; |
| COD ID: 1502636 | |
| CIF file | Formula: - C23 H21 N O3 - Comments: Lin, Chi-Hui; Chen, Jhih-Rong; Yang, Ding-Yah Syntheses of Quaternary Carbon-Containing Oxazatricycle and Spiropyran Libraries via Multicomponent Reactions and Their Molecular Switching Properties Journal of Combinatorial Chemistry 12(1) (2010) 119 Space group: P -1 Cell volume: 918.49 Cell parameters: 9.2085; 9.6607; 11.2222; 77.053; 80.455; 71.635; |
| COD ID: 1502637 | |
| CIF file | Formula: - C31 H29 N O5 - Comments: Lin, Chi-Hui; Chen, Jhih-Rong; Yang, Ding-Yah Syntheses of Quaternary Carbon-Containing Oxazatricycle and Spiropyran Libraries via Multicomponent Reactions and Their Molecular Switching Properties Journal of Combinatorial Chemistry 12(1) (2010) 119 Space group: P -1 Cell volume: 1485.7 Cell parameters: 9.6289; 12.161; 13.927; 75.761; 89.878; 70.641; |
| COD ID: 1502638 | |
| CIF file | Formula: - C25 H15 Br N4 - Comments: Thirumurugan, Prakasam; Nandakumar, A.; Muralidharan, D.; Perumal, Paramasivan T. Simple and Convenient Approach to the Kr€ohnke Pyridine Type Synthesis of Functionalized Indol-3-yl Pyridine Derivatives Using 3-Cyanoacetyl Indole Journal of Combinatorial Chemistry 12(1) (2010) 161 Space group: P b c a Cell volume: 4027.23 Cell parameters: 14.7393; 10.7465; 25.4251; 90; 90; 90; |
| COD ID: 1502639 | |
| CIF file | Formula: - C25 H16 Cl2 N4 - Comments: Thirumurugan, Prakasam; Nandakumar, A.; Muralidharan, D.; Perumal, Paramasivan T. Simple and Convenient Approach to the Kr€ohnke Pyridine Type Synthesis of Functionalized Indol-3-yl Pyridine Derivatives Using 3-Cyanoacetyl Indole Journal of Combinatorial Chemistry 12(1) (2010) 161 Space group: P -1 Cell volume: 1067.3 Cell parameters: 8.0158; 10.0261; 14.3653; 72.26; 79.42; 78.224; |
| COD ID: 1502640 | |
| CIF file | Formula: - C25 H14 Cl2 N4 - Comments: Thirumurugan, Prakasam; Nandakumar, A.; Muralidharan, D.; Perumal, Paramasivan T. Simple and Convenient Approach to the Kr€ohnke Pyridine Type Synthesis of Functionalized Indol-3-yl Pyridine Derivatives Using 3-Cyanoacetyl Indole Journal of Combinatorial Chemistry 12(1) (2010) 161 Space group: P 1 21/c 1 Cell volume: 4036.8 Cell parameters: 10.0307; 22.446; 17.932; 90; 90.991; 90; |
| COD ID: 1502641 | |
| CIF file | Formula: - C21 H18 Cl N O - Comments: Wang, Xiang-Shan; Zhou, Jie; Yin, Ming-Yue; Yang, Ke; Tu, Shu-Jiang Efficient and highly selective method for the synthesis of benzo(naphtho)quinoline derivatives catalyzed by iodine. Journal of combinatorial chemistry 12(2) (2010) 266-269 Space group: P -1 Cell volume: 813.92 Cell parameters: 9.2367; 9.6213; 10.4565; 103.872; 114.049; 92.266; |
| COD ID: 1502642 | |
| CIF file | Formula: - C25 H20 F N O - Comments: Wang, Xiang-Shan; Zhou, Jie; Yin, Ming-Yue; Yang, Ke; Tu, Shu-Jiang Efficient and highly selective method for the synthesis of benzo(naphtho)quinoline derivatives catalyzed by iodine. Journal of combinatorial chemistry 12(2) (2010) 266-269 Space group: P -1 Cell volume: 915.66 Cell parameters: 9.1128; 10.1416; 10.6352; 76.379; 81.633; 74.199; |
| COD ID: 1502643 | |
| CIF file | Formula: - C12 H16 N2 O - Comments: Wang, Xiang-Shan; Yang, Ke; Zhou, Jie; Tu, Shu-Jiang Facile Method for the Combinatorial Synthesis of 2,2-Disubstituted Quinazolin-4(1H)-one Derivatives Catalyzed by Iodine in Ionic Liquids Journal of Combinatorial Chemistry 12(4) (2010) 417-421 Space group: P 1 21/c 1 Cell volume: 1139.2 Cell parameters: 9.7976; 11.3938; 11.8365; 90; 120.442; 90; |
| COD ID: 1502644 | |
| CIF file | Formula: - C14 H18 N2 O - Comments: Wang, Xiang-Shan; Yang, Ke; Zhou, Jie; Tu, Shu-Jiang Facile Method for the Combinatorial Synthesis of 2,2-Disubstituted Quinazolin-4(1H)-one Derivatives Catalyzed by Iodine in Ionic Liquids Journal of Combinatorial Chemistry 12(4) (2010) 417-421 Space group: C 1 2/c 1 Cell volume: 9969 Cell parameters: 39.9096; 11.2986; 29.634; 90; 131.752; 90; |
| COD ID: 1502645 | |
| CIF file | Formula: - C12 H14 N2 O S - Comments: Wang, Xiang-Shan; Yang, Ke; Zhou, Jie; Tu, Shu-Jiang Facile Method for the Combinatorial Synthesis of 2,2-Disubstituted Quinazolin-4(1H)-one Derivatives Catalyzed by Iodine in Ionic Liquids Journal of Combinatorial Chemistry 12(4) (2010) 417-421 Space group: P 1 21/n 1 Cell volume: 1106.16 Cell parameters: 6.9285; 14.9028; 10.7454; 90; 94.45; 90; |
| COD ID: 1502646 | |
| CIF file | Formula: - C14 H13 N3 O S - Comments: Soh, Chai Hoon; Lam, Yulin Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones. Journal of combinatorial chemistry 12(2) (2010) 286-291 Space group: P -1 Cell volume: 632.4 Cell parameters: 4.906; 9.9103; 14.4818; 91.786; 104.35; 110.743; |
| COD ID: 1502647 | |
| CIF file | Formula: - C19 H21 N3 O S - Comments: Soh, Chai Hoon; Lam, Yulin Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones. Journal of combinatorial chemistry 12(2) (2010) 286-291 Space group: P 1 21/c 1 Cell volume: 1705.72 Cell parameters: 19.8028; 5.2167; 17.3692; 90; 108.081; 90; |
| COD ID: 1502648 | |
| CIF file | Formula: - C22 H19 N3 O2 S - Comments: Soh, Chai Hoon; Lam, Yulin Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones. Journal of combinatorial chemistry 12(2) (2010) 286-291 Space group: C 1 2/c 1 Cell volume: 3819.1 Cell parameters: 17.4388; 15.7401; 14.454; 90; 105.718; 90; |
| COD ID: 1502649 | |
| CIF file | Formula: - C19 H16 N4 O S - Comments: Soh, Chai Hoon; Lam, Yulin Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones. Journal of combinatorial chemistry 12(2) (2010) 286-291 Space group: P 1 21/n 1 Cell volume: 1674.89 Cell parameters: 6.9999; 17.428; 13.8297; 90; 96.91; 90; |
| COD ID: 1503634 | |
| CIF file | Formula: - C15 H16 N O10 P - Comments: Rostamnia, Sadegh; Alizadeh, Abdolali; Zhu, Long-Guan Novel Three-Component Route to Diastereoselective Synthesis of Trisubstituted Vinylphosphonates Using Phosphites, Acetylenic Esters, and Aroyl Chlorides Journal of Combinatorial Chemistry 11(1) (2009) 143 Space group: P 1 21/n 1 Cell volume: 1800.8 Cell parameters: 9.1421; 20.355; 9.6776; 90; 90.67; 90; |
| COD ID: 1503635 | |
| CIF file | Formula: - C16 H12 N2 - Comments: Mei, Luo; Hai, Zhang Jia; Jie, Sun; Ming, Zhou Shi; Hao, Yin; Liang, Hu Ke Modular synthesis of oxazolines and their derivatives. Journal of combinatorial chemistry 11(2) (2009) 220-227 Space group: P 1 21/c 1 Cell volume: 597.2 Cell parameters: 13.466; 5.758; 7.713; 90; 93.049; 90; |
| COD ID: 1503636 | |
| CIF file | Formula: - C18 H24 N2 O2 - Comments: Mei, Luo; Hai, Zhang Jia; Jie, Sun; Ming, Zhou Shi; Hao, Yin; Liang, Hu Ke Modular synthesis of oxazolines and their derivatives. Journal of combinatorial chemistry 11(2) (2009) 220-227 Space group: P 1 Cell volume: 850.8 Cell parameters: 5.8138; 9.773; 15.314; 84.585; 88.44; 79.196; |
| COD ID: 1503637 | |
| CIF file | Formula: - C17 H14 N2 O - Comments: Mei, Luo; Hai, Zhang Jia; Jie, Sun; Ming, Zhou Shi; Hao, Yin; Liang, Hu Ke Modular synthesis of oxazolines and their derivatives. Journal of combinatorial chemistry 11(2) (2009) 220-227 Space group: P 21 21 21 Cell volume: 2798.4 Cell parameters: 7.8004; 11.6387; 30.824; 90; 90; 90; |
| COD ID: 1503638 | |
| CIF file | Formula: - C42 H40 Br2 N6 O6 - Comments: Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang; Wu, Shan-Shan; Han, Zheng-Guo; Cao, Xu-Dong; Zhang, Xiao-Hong; Yan, Shu; Shi, Feng Microwave-assisted combinatorial synthesis of new 3-pyrimidin-5-ylpropanamides via a solvent-dependent chemoselective reaction. Journal of combinatorial chemistry 11(2) (2009) 310-314 Space group: P -1 Cell volume: 1004 Cell parameters: 7.147; 12.501; 13.094; 118.506; 99.047; 93.074; |
| COD ID: 1503639 | |
| CIF file | Formula: - C19 H23 N3 O3 - Comments: Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang; Wu, Shan-Shan; Han, Zheng-Guo; Cao, Xu-Dong; Zhang, Xiao-Hong; Yan, Shu; Shi, Feng Microwave-assisted combinatorial synthesis of new 3-pyrimidin-5-ylpropanamides via a solvent-dependent chemoselective reaction. Journal of combinatorial chemistry 11(2) (2009) 310-314 Space group: P 1 21/c 1 Cell volume: 1858.4 Cell parameters: 11.6798; 14.8279; 11.8422; 90; 115.022; 90; |
| COD ID: 1503640 | |
| CIF file | Formula: - C20 H25 N3 O3 - Comments: Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang; Wu, Shan-Shan; Han, Zheng-Guo; Cao, Xu-Dong; Zhang, Xiao-Hong; Yan, Shu; Shi, Feng Microwave-assisted combinatorial synthesis of new 3-pyrimidin-5-ylpropanamides via a solvent-dependent chemoselective reaction. Journal of combinatorial chemistry 11(2) (2009) 310-314 Space group: P 1 21/n 1 Cell volume: 1826.4 Cell parameters: 7.1563; 19.637; 13.2746; 90; 101.74; 90; |
| COD ID: 1503641 | |
| CIF file | Formula: - C25 H22 O9 - Comments: Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang; Wu, Shan-Shan; Han, Zheng-Guo; Cao, Xu-Dong; Zhang, Xiao-Hong; Yan, Shu; Shi, Feng Microwave-assisted combinatorial synthesis of new 3-pyrimidin-5-ylpropanamides via a solvent-dependent chemoselective reaction. Journal of combinatorial chemistry 11(2) (2009) 310-314 Space group: P 1 21/c 1 Cell volume: 2234.9 Cell parameters: 6.8061; 22.23; 14.9656; 90; 99.243; 90; |
| COD ID: 1503642 | |
| CIF file | Formula: - C21 H18 N2 O2 - Comments: Che, Jun; Raghavendra, Makam S.; Lam, Yulin Traceless Solid-Phase Synthesis of Heteroannulated 1,3-Oxazin-6-ones Journal of Combinatorial Chemistry 11(3) (2009) 378 Space group: P -1 Cell volume: 826.45 Cell parameters: 8.0245; 9.6791; 11.3233; 91.953; 106.421; 100.371; |
| COD ID: 1503643 | |
| CIF file | Formula: - C24 H28.42 Br2 N5 O4.71 - Comments: Han, Zheng-Guo; Zhang, Ge; Jiang, Bo; Ma, Ning; Shi, Feng; Tu, Shu-Jiang Diversity Synthesis of Pyrimido[4,5-b][1,6]naphthyridine and Its Derivatives under Microwave Irradiation Journal of Combinatorial Chemistry 11(5) (2009) 809 Space group: P n -3 :2 Cell volume: 16890 Cell parameters: 25.657; 25.657; 25.657; 90; 90; 90; |
| COD ID: 1503644 | |
| CIF file | Formula: - C26 H22 N4 S2 - Comments: Han, Zheng-Guo; Zhang, Ge; Jiang, Bo; Ma, Ning; Shi, Feng; Tu, Shu-Jiang Diversity Synthesis of Pyrimido[4,5-b][1,6]naphthyridine and Its Derivatives under Microwave Irradiation Journal of Combinatorial Chemistry 11(5) (2009) 809 Space group: P -1 Cell volume: 1131.1 Cell parameters: 10.7187; 10.9704; 11.153; 109.785; 102.364; 104.201; |
| COD ID: 1503645 | |
| CIF file | Formula: - C28 H28 N4 O1.5 - Comments: Han, Zheng-Guo; Zhang, Ge; Jiang, Bo; Ma, Ning; Shi, Feng; Tu, Shu-Jiang Diversity Synthesis of Pyrimido[4,5-b][1,6]naphthyridine and Its Derivatives under Microwave Irradiation Journal of Combinatorial Chemistry 11(5) (2009) 809 Space group: P -1 Cell volume: 2479 Cell parameters: 9.8714; 16.11; 16.131; 95.159; 103.578; 91.954; |
| COD ID: 1503646 | |
| CIF file | Formula: - C19 H17 Cl N2 O2 - Comments: Tu, Shu-Jiang; Zhang, Xiao-Hong; Han, Zheng-Guo; Cao, Xu-Dong; Wu, Shan-Shan; Yan, Shu; Hao, Wen-Juan; Zhang, Ge; Ma, Ning Synthesis of Isoxazolo[5,4-b]pyridines by Microwave-Assisted Multi-Component Reactions in Water Journal of Combinatorial Chemistry 11(3) (2009) 428 Space group: P n m a Cell volume: 1691.4 Cell parameters: 11.7147; 6.9466; 20.785; 90; 90; 90; |
| COD ID: 1503647 | |
| CIF file | Formula: - C16 H12 N2 O4 - Comments: Tu, Shu-Jiang; Zhang, Xiao-Hong; Han, Zheng-Guo; Cao, Xu-Dong; Wu, Shan-Shan; Yan, Shu; Hao, Wen-Juan; Zhang, Ge; Ma, Ning Synthesis of Isoxazolo[5,4-b]pyridines by Microwave-Assisted Multi-Component Reactions in Water Journal of Combinatorial Chemistry 11(3) (2009) 428 Space group: P 1 21/c 1 Cell volume: 1329.8 Cell parameters: 13.8513; 7.6116; 12.6732; 90; 95.592; 90; |
| COD ID: 1503648 | |
| CIF file | Formula: - C24 H21 N O2 S - Comments: Wang, Xiang-Shan; Li, Qing; Wu, Jian-Rong; Tu, Shu-Jiang Efficient Method for the Synthesis of Pyranoquinoline, Thiopyranoquinoline, Thienoquinoline, and Naphtho[2,7]naphthyridine Derivatives Catalyzed by Iodine Journal of Combinatorial Chemistry 11(3) (2009) 433 Space group: P 1 21/c 1 Cell volume: 1881.9 Cell parameters: 8.0812; 20.3378; 11.4913; 90; 94.843; 90; |
| COD ID: 1503649 | |
| CIF file | Formula: - C22 H17 N O S - Comments: Wang, Xiang-Shan; Li, Qing; Wu, Jian-Rong; Tu, Shu-Jiang Efficient Method for the Synthesis of Pyranoquinoline, Thiopyranoquinoline, Thienoquinoline, and Naphtho[2,7]naphthyridine Derivatives Catalyzed by Iodine Journal of Combinatorial Chemistry 11(3) (2009) 433 Space group: P c a 21 Cell volume: 1660.39 Cell parameters: 28.2746; 7.6602; 7.6661; 90; 90; 90; |
| COD ID: 1503650 | |
| CIF file | Formula: - C30 H32 Br N3 O3 - Comments: Wang, Xiang-Shan; Li, Qing; Wu, Jian-Rong; Tu, Shu-Jiang Efficient Method for the Synthesis of Pyranoquinoline, Thiopyranoquinoline, Thienoquinoline, and Naphtho[2,7]naphthyridine Derivatives Catalyzed by Iodine Journal of Combinatorial Chemistry 11(3) (2009) 433 Space group: P -1 Cell volume: 1388.2 Cell parameters: 11.3027; 11.7909; 12.2358; 84.75; 72.521; 63.339; |
| COD ID: 1503651 | |
| CIF file | Formula: - C13 H10 N2 S - Comments: Ding, Qiuping; He, Xiaodan; Wu, Jie Synthesis of 2-Aminobenzothiazole via Copper(I)-Catalyzed Tandem Reaction of 2-Iodobenzenamine with Isothiocyanate Journal of Combinatorial Chemistry 11(4) (2009) 587 Space group: P -1 Cell volume: 531.9 Cell parameters: 3.999; 10.875; 12.398; 97.269; 95.339; 92.014; |
| COD ID: 1503652 | |
| CIF file | Formula: - C25 H24 N4 O6 S - Comments: Dzhavakhishvili, Sergey G.; Gorobets, Nikolay Yu.; Shishkina, Svetlana V.; Shishkin, Oleg V.; Desenko, Sergey M.; Groth, Ulrich M. Diversification of a Thieno[2,3-d]pyrimidin-4-one Scaffold via Regioselective Alkylation Reactions Journal of Combinatorial Chemistry 11(3) (2009) 508 Space group: P -1 Cell volume: 1187.8 Cell parameters: 9.153; 11.9412; 12.0912; 114.907; 93.676; 94.575; |
| COD ID: 1503653 | |
| CIF file | Formula: - C26 H26 F2 N6 O5 - Comments: Jiang, Bo; Cao, Long-Ji; Tu, Shu-Jiang; Zheng, Wen-Rui; Yu, Hai-Zhu Highly Diastereoselective Domino Synthesis of 6-Spirosubstituted Pyrido[2,3-d]pyrimidine Derivatives in Water Journal of Combinatorial Chemistry 11(4) (2009) 612 Space group: P -1 Cell volume: 1381 Cell parameters: 9.2189; 12.5924; 14.1; 64.634; 81.467; 69.027; |
| COD ID: 1503654 | |
| CIF file | Formula: - C27 H17 F N4 - Comments: Wang, Xiang-Shan; Wu, Jian-Rong; Zhou, Jie; Tu, Shu-Jiang Green Method for the Synthesis of Highly Substituted Cyclohexa-1,3-diene, Polyhydroindene, Polyhydronaphthalene, Isochromene, Isothiochromene, and Isoquinoline Derivatives in Ionic Liquids Journal of Combinatorial Chemistry 11(6) (2009) 1011 Space group: P 1 21/n 1 Cell volume: 2270.8 Cell parameters: 10.721; 14.43; 14.681; 90; 91.134; 90; |
| COD ID: 1503655 | |
| CIF file | Formula: - C24 H27 N5 O3 - Comments: Wang, Xiang-Shan; Wu, Jian-Rong; Zhou, Jie; Tu, Shu-Jiang Green Method for the Synthesis of Highly Substituted Cyclohexa-1,3-diene, Polyhydroindene, Polyhydronaphthalene, Isochromene, Isothiochromene, and Isoquinoline Derivatives in Ionic Liquids Journal of Combinatorial Chemistry 11(6) (2009) 1011 Space group: C 1 2/c 1 Cell volume: 4722.91 Cell parameters: 30.9404; 9.1578; 16.8812; 90; 99.108; 90; |
| COD ID: 1503656 | |
| CIF file | Formula: - C21 H18 Cl2 N5 O2 - Comments: Wang, Xiang-Shan; Wu, Jian-Rong; Zhou, Jie; Tu, Shu-Jiang Green Method for the Synthesis of Highly Substituted Cyclohexa-1,3-diene, Polyhydroindene, Polyhydronaphthalene, Isochromene, Isothiochromene, and Isoquinoline Derivatives in Ionic Liquids Journal of Combinatorial Chemistry 11(6) (2009) 1011 Space group: P 1 21/c 1 Cell volume: 2182.63 Cell parameters: 16.7648; 9.245; 15.4532; 90; 114.316; 90; |
| COD ID: 1503657 | |
| CIF file | Formula: - C28 H19 Cl N4 - Comments: Wang, Xiang-Shan; Wu, Jian-Rong; Zhou, Jie; Tu, Shu-Jiang Green Method for the Synthesis of Highly Substituted Cyclohexa-1,3-diene, Polyhydroindene, Polyhydronaphthalene, Isochromene, Isothiochromene, and Isoquinoline Derivatives in Ionic Liquids Journal of Combinatorial Chemistry 11(6) (2009) 1011 Space group: P 1 21/c 1 Cell volume: 2385.5 Cell parameters: 9.1603; 18.484; 14.556; 90; 104.556; 90; |
| COD ID: 1503658 | |
| CIF file | Formula: - C23 H15 N3 S - Comments: Jiang, Bo; Hao, Wen-Juan; Wang, Xiang; Shi, Feng; Tu, Shu-Jiang Diversity-Oriented Synthesis of Kröhnke Pyridines Journal of Combinatorial Chemistry 11(5) (2009) 846 Space group: P -1 Cell volume: 1924.5 Cell parameters: 11.2726; 11.8903; 14.5544; 86.571; 88.755; 81.249; |
| COD ID: 1503659 | |
| CIF file | Formula: - C21 H24 N4 O2 - Comments: Kong, Kah-Hoe; Tan, Chong-Kiat; Lam, Yulin Traceless Solid-Phase Synthesis of 6-Amino- and 6-Hydroxyimino-1,3,5-triazine-2,4-diones and 1,3,5-Triazine-2,4,6-triones Journal of Combinatorial Chemistry 11(6) (2009) 1050 Space group: P b c a Cell volume: 3784.1 Cell parameters: 8.7519; 16.8317; 25.6881; 90; 90; 90; |
| COD ID: 1503660 | |
| CIF file | Formula: - C10 H10 N4 O3 - Comments: Kong, Kah-Hoe; Tan, Chong-Kiat; Lam, Yulin Traceless Solid-Phase Synthesis of 6-Amino- and 6-Hydroxyimino-1,3,5-triazine-2,4-diones and 1,3,5-Triazine-2,4,6-triones Journal of Combinatorial Chemistry 11(6) (2009) 1050 Space group: P b c a Cell volume: 2111 Cell parameters: 8.973; 8.3478; 28.1826; 90; 90; 90; |
| COD ID: 1503661 | |
| CIF file | Formula: - C23 H20 N2 O5 S - Comments: Shaabani, Ahmad; Ghadari, Rahim; Ghasemi, Sabrieh; Pedarpour, Milad; Rezayan, Ali Hossein; Sarvary, Afshin; Ng, Seik Weng Novel One-Pot Three- and Pseudo-Five-Component Reactions: Synthesis of Functionalized Benzo[g]- and Dihydropyrano[2,3-g]chromene Derivatives Journal of Combinatorial Chemistry 11(6) (2009) 956 Space group: P 1 21/c 1 Cell volume: 2071.87 Cell parameters: 10.3181; 18.679; 11.1566; 90; 105.516; 90; |
| COD ID: 1504329 | |
| CIF file | Formula: - C20 H24 N2 O3 - Comments: Gao, Yongnian; Lam, Yulin [3 + 2] Cycloaddition Reactions in the Synthesis of Triazolo[4,5-b]pyridin-5-ones and Pyrrolo[3,4-b]pyridin-2-ones Journal of Combinatorial Chemistry 10(2) (2008) 327 Space group: P 1 21/n 1 Cell volume: 3637.7 Cell parameters: 9.2494; 16.5966; 24.0869; 90; 100.324; 90; |
| COD ID: 1504330 | |
| CIF file | Formula: - C24 H26 N2 O3 S - Comments: Gao, Yongnian; Lam, Yulin [3 + 2] Cycloaddition Reactions in the Synthesis of Triazolo[4,5-b]pyridin-5-ones and Pyrrolo[3,4-b]pyridin-2-ones Journal of Combinatorial Chemistry 10(2) (2008) 327 Space group: P 1 21/n 1 Cell volume: 2136.87 Cell parameters: 14.6152; 8.5366; 17.6486; 90; 103.961; 90; |
| COD ID: 1504331 | |
| CIF file | Formula: - C19 H26 F3 N O2 - Comments: Mao, Shuli; Probst, Donald; Werner, Stefan; Chen, Jianzhong; Xie, Xiangqun; Brummond, Kay M. Diverging Rh(I)-Catalyzed Carbocylization Strategy to Prepare a Library of Unique Cyclic Ethers Journal of Combinatorial Chemistry 10(2) (2008) 235 Space group: P 1 21/c 1 Cell volume: 1918.6 Cell parameters: 8.2115; 24.22; 10.234; 90; 109.503; 90; |
| COD ID: 1504332 | |
| CIF file | Formula: - C25 H21 N O5 - Comments: Lai, Jiun-Ting; Shieh, Pei-Shan; Huang, Wei-Hao; Yang, Ding-Yah Syntheses of Oxazabicycle Library via One-Pot Tandem Reactions Journal of Combinatorial Chemistry 10(3) (2008) 381 Space group: P 1 21/n 1 Cell volume: 2004.4 Cell parameters: 7.2833; 18.243; 15.361; 90; 100.865; 90; |
| COD ID: 1504333 | |
| CIF file | Formula: - C27 H26 N2 O5 - Comments: Lai, Jiun-Ting; Shieh, Pei-Shan; Huang, Wei-Hao; Yang, Ding-Yah Syntheses of Oxazabicycle Library via One-Pot Tandem Reactions Journal of Combinatorial Chemistry 10(3) (2008) 381 Space group: P 1 21/n 1 Cell volume: 2315 Cell parameters: 11.0623; 14.4745; 14.5087; 90; 94.796; 90; |
| COD ID: 1504334 | |
| CIF file | Formula: - C17 H26 N4 O3 - Comments: Shaabani, Ahmad; Maleki, Ali; Mofakham, Hamid Novel Multicomponent One-Pot Synthesis of Tetrahydro-1H-1,5-benzodiazepine-2-carboxamide Derivatives Journal of Combinatorial Chemistry 10(4) (2008) 595 Space group: P b c a Cell volume: 3790 Cell parameters: 10.2548; 17.3996; 21.2408; 90; 90; 90; |
| COD ID: 1504335 | |
| CIF file | Formula: - C25 H26 Cl2 N2 O2 - Comments: Frankowski, Kevin J.; Neuenswander, Benjamin; Aubé, Jeffrey Explorations ofStemonaAlkaloid-Inspired Analogues: Skeletal Modification and Functional Group Diversification Journal of Combinatorial Chemistry 10(5) (2008) 721 Space group: P -1 Cell volume: 1111.71 Cell parameters: 7.7322; 8.2825; 18.0011; 77.605; 81.459; 85.056; |
| COD ID: 1504336 | |
| CIF file | Formula: - C14 H23 N O2 - Comments: Frankowski, Kevin J.; Neuenswander, Benjamin; Aubé, Jeffrey Explorations ofStemonaAlkaloid-Inspired Analogues: Skeletal Modification and Functional Group Diversification Journal of Combinatorial Chemistry 10(5) (2008) 721 Space group: P -1 Cell volume: 607.53 Cell parameters: 5.2318; 8.6863; 13.9249; 77.485; 81.316; 82.478; |
| COD ID: 1504337 | |
| CIF file | Formula: - C18 H20 N2 O - Comments: Frankowski, Kevin J.; Neuenswander, Benjamin; Aubé, Jeffrey Explorations ofStemonaAlkaloid-Inspired Analogues: Skeletal Modification and Functional Group Diversification Journal of Combinatorial Chemistry 10(5) (2008) 721 Space group: P 1 21/c 1 Cell volume: 1341.56 Cell parameters: 19.3878; 5.1046; 14.4014; 90; 109.734; 90; |
| COD ID: 1504338 | |
| CIF file | Formula: - C21 H26 F N3 O2 S - Comments: Shaabani, Ahmad; Maleki, Ali; Mofakham, Hamid; Khavasi, Hamid Reza Novel Isocyanide-Based Three-Component One-Pot Synthesis of Cyanophenylamino-acetamide Derivatives Journal of Combinatorial Chemistry 10(6) (2008) 883 Space group: P 1 21/n 1 Cell volume: 2229.4 Cell parameters: 8.6512; 15.214; 17.0046; 90; 95.071; 90; |
| COD ID: 1505007 | |
| CIF file | Formula: - C29 H34 B N3 O - Comments: Soutullo, Morgan D.; Odom, Carl I.; Salter, E. Alan; Stenson, Alexandra C.; Sykora, Richard E.; Wierzbicki, Andrzej; Davis, James H. Ultra-Easy Access to NH2-Functionalized TSILs, Their Potential as Highly Volume-Efficient Electrophile Scavengers, and Insights into the Electronics of Girard's Reagent T, A Venerable Chemical Work Horse Journal of Combinatorial Chemistry 9(4) (2007) 571 Space group: P 1 21/n 1 Cell volume: 2527.5 Cell parameters: 10.0825; 18.239; 13.8361; 90; 96.606; 90; |
| COD ID: 1505008 | |
| CIF file | Formula: - C36 H39 B N4 O2 - Comments: Soutullo, Morgan D.; Odom, Carl I.; Salter, E. Alan; Stenson, Alexandra C.; Sykora, Richard E.; Wierzbicki, Andrzej; Davis, James H. Ultra-Easy Access to NH2-Functionalized TSILs, Their Potential as Highly Volume-Efficient Electrophile Scavengers, and Insights into the Electronics of Girard's Reagent T, A Venerable Chemical Work Horse Journal of Combinatorial Chemistry 9(4) (2007) 571 Space group: P 1 21/n 1 Cell volume: 3125 Cell parameters: 12.7145; 15.8471; 15.7636; 90; 100.298; 90; |
| COD ID: 1505009 | |
| CIF file | Formula: - C33 H40 B N3 O - Comments: Soutullo, Morgan D.; Odom, Carl I.; Salter, E. Alan; Stenson, Alexandra C.; Sykora, Richard E.; Wierzbicki, Andrzej; Davis, James H. Ultra-Easy Access to NH2-Functionalized TSILs, Their Potential as Highly Volume-Efficient Electrophile Scavengers, and Insights into the Electronics of Girard's Reagent T, A Venerable Chemical Work Horse Journal of Combinatorial Chemistry 9(4) (2007) 571 Space group: P 1 21/c 1 Cell volume: 3021.3 Cell parameters: 16.63; 13.9808; 12.999; 90; 91.48; 90; |
| COD ID: 1505010 | |
| CIF file | Formula: - C33 H39 B N4 O2 - Comments: Soutullo, Morgan D.; Odom, Carl I.; Salter, E. Alan; Stenson, Alexandra C.; Sykora, Richard E.; Wierzbicki, Andrzej; Davis, James H. Ultra-Easy Access to NH2-Functionalized TSILs, Their Potential as Highly Volume-Efficient Electrophile Scavengers, and Insights into the Electronics of Girard's Reagent T, A Venerable Chemical Work Horse Journal of Combinatorial Chemistry 9(4) (2007) 571 Space group: P 1 21/n 1 Cell volume: 3056.6 Cell parameters: 14.1478; 10.2584; 21.693; 90; 103.87; 90; |
| COD ID: 1505011 | |
| CIF file | Formula: - C28 H27 Cl N4 O3 - Comments: Tu, Shujiang; Li, Chunmei; Li, Guigen; Cao, Longji; Shao, Qingqing; Zhou, Dianxiang; Jiang, Bo; Zhou, Jianfeng; Xia, Min Microwave-Assisted Combinatorial Synthesis of Polysubstituent Imidazo[1,2-a]quinoline, Pyrimido[1,2-a]quinoline and Quinolino[1,2-a]quinazoline Derivatives Journal of Combinatorial Chemistry 9(6) (2007) 1144 Space group: C 1 2/c 1 Cell volume: 4957 Cell parameters: 36.34; 11.78; 11.87; 90; 102.714; 90; |
| COD ID: 1505012 | |
| CIF file | Formula: - C21 H20 Cl N3 O2 - Comments: Tu, Shujiang; Li, Chunmei; Li, Guigen; Cao, Longji; Shao, Qingqing; Zhou, Dianxiang; Jiang, Bo; Zhou, Jianfeng; Xia, Min Microwave-Assisted Combinatorial Synthesis of Polysubstituent Imidazo[1,2-a]quinoline, Pyrimido[1,2-a]quinoline and Quinolino[1,2-a]quinazoline Derivatives Journal of Combinatorial Chemistry 9(6) (2007) 1144 Space group: P 1 21/c 1 Cell volume: 1891.6 Cell parameters: 10.378; 10.131; 18.143; 90; 97.406; 90; |
| COD ID: 1505013 | |
| CIF file | Formula: - C18 H14 F N3 O2 - Comments: Tu, Shujiang; Li, Chunmei; Li, Guigen; Cao, Longji; Shao, Qingqing; Zhou, Dianxiang; Jiang, Bo; Zhou, Jianfeng; Xia, Min Microwave-Assisted Combinatorial Synthesis of Polysubstituent Imidazo[1,2-a]quinoline, Pyrimido[1,2-a]quinoline and Quinolino[1,2-a]quinazoline Derivatives Journal of Combinatorial Chemistry 9(6) (2007) 1144 Space group: P 1 21/c 1 Cell volume: 1521 Cell parameters: 10.781; 14.937; 9.839; 90; 106.27; 90; |
| COD ID: 1505676 | |
| CIF file | Formula: - C10 H8 N2 O4 - Comments: Harju, Kirsi; Kylänlahti, Irene; Paananen, Timo; Polamo, Mika; Nielsen, John; Yli-Kauhaluoma, Jari Solid-Phase Synthesis of Pyrazolopyridines from Polymer-Bound Alkyne and Azomethine Imines Journal of Combinatorial Chemistry 8(3) (2006) 344 Space group: P 1 21/c 1 Cell volume: 988.6 Cell parameters: 4.945; 10.887; 18.475; 90; 96.32; 90; |
| COD ID: 1505677 | |
| CIF file | Formula: - C14 H12 N2 - Comments: Harju, Kirsi; Kylänlahti, Irene; Paananen, Timo; Polamo, Mika; Nielsen, John; Yli-Kauhaluoma, Jari Solid-Phase Synthesis of Pyrazolopyridines from Polymer-Bound Alkyne and Azomethine Imines Journal of Combinatorial Chemistry 8(3) (2006) 344 Space group: P 21 21 21 Cell volume: 1071.7 Cell parameters: 5.888; 10.699; 17.013; 90; 90; 90; |
| COD ID: 1505678 | |
| CIF file | Formula: - C21 H16 F N3 O2 - Comments: Nie, Aihua; Huang, Ziwei Microwave-Assisted Reaction of 2‘-Hydroxychalcones with Hydrazides to Synthesize Flavanone Hydrazone and 4,5-Dihydropyrazole Derivatives Journal of Combinatorial Chemistry 8(5) (2006) 655 Space group: P 1 21/c 1 Cell volume: 1656.9 Cell parameters: 11.654; 5.471; 26.609; 90; 102.416; 90; |
| COD ID: 1505679 | |
| CIF file | Formula: - C21 H16 F N3 O2 - Comments: Nie, Aihua; Huang, Ziwei Microwave-Assisted Reaction of 2‘-Hydroxychalcones with Hydrazides to Synthesize Flavanone Hydrazone and 4,5-Dihydropyrazole Derivatives Journal of Combinatorial Chemistry 8(5) (2006) 655 Space group: P 1 n 1 Cell volume: 845.72 Cell parameters: 9.705; 5.644; 15.603; 90; 98.293; 90; |
| COD ID: 1506336 | |
| CIF file | Formula: - C25 H26 N2 O - Comments: Li, Weiwei; Lam, Yulin A Facile Solid-Phase Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using Sodium Benzenesulfinate as a Traceless Linker Journal of Combinatorial Chemistry 7(5) (2005) 644 Space group: P -1 Cell volume: 1032.9 Cell parameters: 9.9752; 10.434; 11.2679; 90.172; 109.741; 109.322; |
| COD ID: 1506337 | |
| CIF file | Formula: - C16 H15 N3 O - Comments: Li, Weiwei; Lam, Yulin A Facile Solid-Phase Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using Sodium Benzenesulfinate as a Traceless Linker Journal of Combinatorial Chemistry 7(5) (2005) 644 Space group: P -1 Cell volume: 1331.55 Cell parameters: 8.7569; 12.5075; 12.7422; 74.569; 86.623; 81.9; |
| COD ID: 1506338 | |
| CIF file | Formula: - C20 H20 N2 O - Comments: Li, Weiwei; Lam, Yulin A Facile Solid-Phase Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using Sodium Benzenesulfinate as a Traceless Linker Journal of Combinatorial Chemistry 7(5) (2005) 644 Space group: P -1 Cell volume: 803.03 Cell parameters: 8.8589; 9.5619; 11.5289; 111.301; 90.111; 115.935; |
| COD ID: 1506339 | |
| CIF file | Formula: - C19 H16 N2 O2 S - Comments: Le Bas, Marie-Delphine H.; McKinley, Neola F.; Hogan, Anne-Marie L.; O'Shea, Donal F. Imidazo[5,1-b]thiazol-3-ones/thiazin-4-ones: Synthesis and Reactivity Investigation for Library Generation Journal of Combinatorial Chemistry 7(4) (2005) 503 Space group: P -1 Cell volume: 821.2 Cell parameters: 7.706; 10.338; 12.191; 109.742; 95.779; 111.614; |
| COD ID: 1506340 | |
| CIF file | Formula: - C19 H26 N4 O2 - Comments: Fu, Han; Lam, Yulin Traceless Solid-Phase Synthesis of N1,N7-Disubstituted Purines Journal of Combinatorial Chemistry 7(5) (2005) 734 Space group: P 1 21/c 1 Cell volume: 1902.9 Cell parameters: 17.164; 8.4372; 13.333; 90; 99.752; 90; |
| COD ID: 1506341 | |
| CIF file | Formula: - C17 H27 Br N4 O3 - Comments: Fu, Han; Lam, Yulin Traceless Solid-Phase Synthesis of N1,N7-Disubstituted Purines Journal of Combinatorial Chemistry 7(5) (2005) 734 Space group: P -1 Cell volume: 2036 Cell parameters: 11.841; 13.069; 13.905; 74.71; 78.79; 86.66; |
| COD ID: 1506799 | |
| CIF file | Formula: - C16 H14 N2 S - Comments: Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels Journal of Combinatorial Chemistry 6(6) (2004) 928 Space group: P -1 Cell volume: 2078.9 Cell parameters: 11.3899; 12.0714; 17.4959; 87.675; 72.756; 65.371; |
| COD ID: 1506800 | |
| CIF file | Formula: - C13 H16 N2 O S - Comments: Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels Journal of Combinatorial Chemistry 6(6) (2004) 928 Space group: P 1 21/n 1 Cell volume: 1243.8 Cell parameters: 12.7346; 6.0351; 16.4; 90; 99.31; 90; |
| COD ID: 1506801 | |
| CIF file | Formula: - C23 H18 N2 O - Comments: Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels Journal of Combinatorial Chemistry 6(6) (2004) 928 Space group: P 21 21 21 Cell volume: 1748.48 Cell parameters: 5.2746; 16.1821; 20.485; 90; 90; 90; |
| COD ID: 1506802 | |
| CIF file | Formula: - C14 H12 N4 O4 S - Comments: Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels Journal of Combinatorial Chemistry 6(6) (2004) 928 Space group: P b c a Cell volume: 3099 Cell parameters: 8.11; 17.9243; 21.3183; 90; 90; 90; |
| COD ID: 1556079 | |
| CIF file | Formula: - C14 H12 Br Cl N2 O4 - Comments: Robins, Lori I.; Fettinger, James C.; Tinti, Dino S.; Kurth, Mark J. Selective nucleophilic chemistry in the synthesis of 5-carbamoyl-3-sulfanylmethylisoxazole-4-carboxylic acids. Journal of combinatorial chemistry 9(1) (2007) 139-142 Space group: P 1 21 1 Cell volume: 753.4 Cell parameters: 11.5652; 4.8925; 13.332; 90; 92.835; 90; |
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