Crystallography Open Database

Result : There are 163 entries in the selection

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Searching journal of publication like 'ACS combinatorial science'

COD ID: 4501438
CIF file Formula: - C15 H15 N3 O S -
Comments: Zhuang, Qi-Ya; Wang, Xiang; Gao, Yuan; Shi, Feng; Jiang, Bo; Tu, Shu-Jiang Diversity-oriented synthesis of spiro-substituted 1,3-thiazine library via a one-pot, two-step, three-component reaction. ACS combinatorial science 13(1) (2011) 84-88
Space group: P -1
Cell volume: 1471.5
Cell parameters: 10.7281; 11.1802; 14.3213; 101.425; 102.836; 112.312;  

COD ID: 4501439
CIF file Formula: - C15 H15 N3 O S -
Comments: Zhuang, Qi-Ya; Wang, Xiang; Gao, Yuan; Shi, Feng; Jiang, Bo; Tu, Shu-Jiang Diversity-oriented synthesis of spiro-substituted 1,3-thiazine library via a one-pot, two-step, three-component reaction. ACS combinatorial science 13(1) (2011) 84-88
Space group: P -1
Cell volume: 706.01
Cell parameters: 6.4434; 11.249; 11.3527; 115.042; 104.481; 94.405;  

COD ID: 4501440
CIF file Formula: - C18 H15 Cl N2 -
Comments: Liu, Guannan; Zhou, Yu; Lin, Daizong; Wang, Jinfang; Zhang, Lei; Jiang, Hualiang; Liu, Hong Synthesis of Pyrrolo[1,2-a]quinoxalines via gold(I)-mediated cascade reactions. ACS combinatorial science 13(3) (2011) 209-213
Space group: C 1 2/c 1
Cell volume: 2978.9
Cell parameters: 17.5878; 10.5568; 16.1787; 90; 97.404; 90;  

COD ID: 4501441
CIF file Formula: - C18 H18 F N O3 -
Comments: Kantevari, Srinivas; Patpi, Santhosh Reddy; Addla, Dinesh; Putapatri, Siddamal Reddy; Sridhar, Balasubramanian; Yogeeswari, Perumal; Sriram, Dharmarajan Facile diversity-oriented synthesis and antitubercular evaluation of novel aryl and heteroaryl tethered pyridines and dihydro-6H-quinolin-5-ones derived via variants of the Bohlmann-Rahtz Reaction. ACS combinatorial science 13(4) (2011) 427-435
Space group: P 1 21/n 1
Cell volume: 1620.95
Cell parameters: 7.632; 18.751; 11.424; 90; 97.479; 90;  

COD ID: 4501442
CIF file Formula: - C15 H14 Cl N O S -
Comments: Kantevari, Srinivas; Patpi, Santhosh Reddy; Addla, Dinesh; Putapatri, Siddamal Reddy; Sridhar, Balasubramanian; Yogeeswari, Perumal; Sriram, Dharmarajan Facile diversity-oriented synthesis and antitubercular evaluation of novel aryl and heteroaryl tethered pyridines and dihydro-6H-quinolin-5-ones derived via variants of the Bohlmann-Rahtz Reaction. ACS combinatorial science 13(4) (2011) 427-435
Space group: P 1 21/n 1
Cell volume: 1417
Cell parameters: 6.1224; 13.5559; 17.1158; 90; 94.031; 90;  

COD ID: 4501443
CIF file Formula: - C18 H19 N O3 -
Comments: Kantevari, Srinivas; Patpi, Santhosh Reddy; Addla, Dinesh; Putapatri, Siddamal Reddy; Sridhar, Balasubramanian; Yogeeswari, Perumal; Sriram, Dharmarajan Facile diversity-oriented synthesis and antitubercular evaluation of novel aryl and heteroaryl tethered pyridines and dihydro-6H-quinolin-5-ones derived via variants of the Bohlmann-Rahtz Reaction. ACS combinatorial science 13(4) (2011) 427-435
Space group: P 1 21/c 1
Cell volume: 1515.7
Cell parameters: 8.3406; 6.4842; 28.312; 90; 98.158; 90;  

COD ID: 4501444
CIF file Formula: - C14 H16 F N O2 -
Comments: Kantevari, Srinivas; Patpi, Santhosh Reddy; Addla, Dinesh; Putapatri, Siddamal Reddy; Sridhar, Balasubramanian; Yogeeswari, Perumal; Sriram, Dharmarajan Facile diversity-oriented synthesis and antitubercular evaluation of novel aryl and heteroaryl tethered pyridines and dihydro-6H-quinolin-5-ones derived via variants of the Bohlmann-Rahtz Reaction. ACS combinatorial science 13(4) (2011) 427-435
Space group: P n a 21
Cell volume: 2632.5
Cell parameters: 24.984; 7.5435; 13.9681; 90; 90; 90;  

COD ID: 4501445
CIF file Formula: - C32 H24 F N O3 -
Comments: Aggarwal, Trapti; Imam, Maryam; Kaushik, Naveen K.; Chauhan, Virander S.; Verma, Akhilesh K. Pyrano[4,3-b]quinolines library generation via iodocyclization and palladium-catalyzed coupling reactions. ACS combinatorial science 13(5) (2011) 530-536
Space group: P 1 21/c 1
Cell volume: 2479.7
Cell parameters: 11.89; 17.956; 12.679; 90; 113.643; 90;  

COD ID: 4501446
CIF file Formula: - C22 H16 Cl N3 O -
Comments: Wang, Shu-Liang; Ding, Jie; Jiang, Bo; Gao, Yuan; Tu, Shu-Jiang Microwave-assisted solvent-dependent reaction: chemoselective synthesis of quinoxalin-2(1H)-ones, benzo[d]imidazoles and dipeptides. ACS combinatorial science 13(5) (2011) 572-577
Space group: I 41/a :2
Cell volume: 7753.7
Cell parameters: 22.9061; 22.9061; 14.7776; 90; 90; 90;  

COD ID: 4505627
CIF file Formula: - C19 H17 F N2 O5 -
Comments: Tan, Darlene Q.; Atherton, Amy L.; Smith, Austin J.; Soldi, Cristian; Hurley, Katherine A.; Fettinger, James C.; Shaw, Jared T. Synthesis of a γ-Lactam Library via Formal Cycloaddition of Imines and Substituted Succinic Anhydrides. ACS combinatorial science 14(3) (2012) 218-223
Space group: P 1 21/c 1
Cell volume: 1787
Cell parameters: 8.3881; 11.532; 18.652; 90; 97.916; 90;  

COD ID: 4505628
CIF file Formula: - C22 H26 F N3 O5 -
Comments: Tan, Darlene Q.; Atherton, Amy L.; Smith, Austin J.; Soldi, Cristian; Hurley, Katherine A.; Fettinger, James C.; Shaw, Jared T. Synthesis of a γ-Lactam Library via Formal Cycloaddition of Imines and Substituted Succinic Anhydrides. ACS combinatorial science 14(3) (2012) 218-223
Space group: P 1 21/c 1
Cell volume: 4402.9
Cell parameters: 13.4864; 20.1959; 16.1652; 90; 90.179; 90;  

COD ID: 4505629
CIF file Formula: - C29 H26.33 Cl3.67 N4 O9 -
Comments: Tan, Darlene Q.; Atherton, Amy L.; Smith, Austin J.; Soldi, Cristian; Hurley, Katherine A.; Fettinger, James C.; Shaw, Jared T. Synthesis of a γ-Lactam Library via Formal Cycloaddition of Imines and Substituted Succinic Anhydrides. ACS combinatorial science 14(3) (2012) 218-223
Space group: P -1
Cell volume: 1568.2
Cell parameters: 7.7789; 13.1511; 16.1282; 76.669; 84.6; 77.944;  

COD ID: 4505630
CIF file Formula: - C16 H12 N2 O S4 -
Comments: Verma, Rajiv Kumar; Verma, Girijesh Kumar; Shukla, Gaurav; Nagaraju, Anugula; Singh, Maya Shankar 4-Dimethylamino Pyridine-Promoted One-Pot Three-Component Regioselective Synthesis of Highly Functionalized 4H-Thiopyrans via Heteroannulation of β-Oxodithioesters. ACS combinatorial science 14(3) (2012) 224-230
Space group: P 1 21/c 1
Cell volume: 1737.52
Cell parameters: 8.6868; 12.061; 16.5857; 90; 90.843; 90;  

COD ID: 4506575
CIF file Formula: - C22 H17 N3 O2 -
Comments: Xu, Zhigang; Ayaz, Muhammad; Cappelli, Alexandra A.; Hulme, Christopher General One-pot, Two-Step Protocol Accessing a Range of Novel Polycyclic Heterocycles with High Skeletal Diversity. ACS combinatorial science 14(8) (2012) 460-464
Space group: P 1 21/c 1
Cell volume: 1751.12
Cell parameters: 10.9445; 17.8505; 9.2774; 90; 104.951; 90;  

COD ID: 4506576
CIF file Formula: - C21 H19 F3 N4 O2 -
Comments: Xu, Zhigang; Ayaz, Muhammad; Cappelli, Alexandra A.; Hulme, Christopher General One-pot, Two-Step Protocol Accessing a Range of Novel Polycyclic Heterocycles with High Skeletal Diversity. ACS combinatorial science 14(8) (2012) 460-464
Space group: P 1 21/c 1
Cell volume: 1869.47
Cell parameters: 13.1973; 14.8812; 10.1948; 90; 110.978; 90;  

COD ID: 4506577
CIF file Formula: - C19 H24 O3 -
Comments: Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols. ACS combinatorial science 14(8) (2012) 478-483
Space group: P 21 21 21
Cell volume: 1591.9
Cell parameters: 6.1622; 8.8128; 29.313; 90; 90; 90;  

COD ID: 4506578
CIF file Formula: - C15 H20 O3 -
Comments: Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols. ACS combinatorial science 14(8) (2012) 478-483
Space group: P b c a
Cell volume: 8088
Cell parameters: 22.398; 15.1572; 23.824; 90; 90; 90;  

COD ID: 4506579
CIF file Formula: - C23 H18 Cl2 O3 -
Comments: Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols. ACS combinatorial science 14(8) (2012) 478-483
Space group: P 1
Cell volume: 1565
Cell parameters: 6.801; 8.232; 28.08; 95.03; 90.61; 91.551;  

COD ID: 4506580
CIF file Formula: - C23 H28 O6 -
Comments: Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols. ACS combinatorial science 14(8) (2012) 478-483
Space group: P 1 21/c 1
Cell volume: 2057.8
Cell parameters: 8.9227; 14.534; 15.883; 90; 92.475; 90;  

COD ID: 4506581
CIF file Formula: - C17 H24 O3 -
Comments: Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols. ACS combinatorial science 14(8) (2012) 478-483
Space group: P 1 21/n 1
Cell volume: 1578.5
Cell parameters: 8.362; 16.147; 11.767; 90; 96.513; 90;  

COD ID: 4507134
CIF file Formula: - C14 H16 Br N O3 -
Comments: Gerard, Baudouin; O'Shea, Morgan Welzel; Donckele, Etienne; Kesavan, Sarathy; Akella, Lakshmi B.; Xu, Hao; Jacobsen, Eric N.; Marcaurelle, Lisa A. Application of a catalytic asymmetric Povarov reaction using chiral ureas to the synthesis of a tetrahydroquinoline library. ACS combinatorial science 14(11) (2012) 621-630
Space group: P 21 21 21
Cell volume: 1353.9
Cell parameters: 5.6996; 12.8774; 18.4471; 90; 90; 90;  

COD ID: 4507419
CIF file Formula: - C21 H24 N2 O5 -
Comments: Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G. Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines. ACS Combinatorial Science 15(1) (2013) 73
Space group: P 21 21 21
Cell volume: 1936.2
Cell parameters: 9.2552; 10.3088; 20.2933; 90; 90; 90;  

COD ID: 4507420
CIF file Formula: - C22 H19 N2 O5 -
Comments: Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G. Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines. ACS Combinatorial Science 15(1) (2013) 73
Space group: P 21 21 21
Cell volume: 1808.01
Cell parameters: 7.4316; 22.6244; 10.7533; 90; 90; 90;  

COD ID: 4507421
CIF file Formula: - C20 H23 N2 O4 S -
Comments: Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G. Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines. ACS Combinatorial Science 15(1) (2013) 73
Space group: P 21 21 21
Cell volume: 1865.81
Cell parameters: 7.9958; 10.2771; 22.7057; 90; 90; 90;  

COD ID: 4507422
CIF file Formula: - C16 H14 N2 O5 -
Comments: Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G. Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines. ACS Combinatorial Science 15(1) (2013) 73
Space group: P 1
Cell volume: 695.26
Cell parameters: 5.373; 9.8442; 13.799; 72.286; 89.897; 89.973;  

COD ID: 4507423
CIF file Formula: - C22 H18 N2 O5 -
Comments: Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G. Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines. ACS Combinatorial Science 15(1) (2013) 73
Space group: P 21 21 21
Cell volume: 1890.63
Cell parameters: 7.2733; 11.3442; 22.914; 90; 90; 90;  

COD ID: 4507424
CIF file Formula: - C19 H17 N2 O5 -
Comments: Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G. Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines. ACS Combinatorial Science 15(1) (2013) 73
Space group: P 21 21 21
Cell volume: 1714.11
Cell parameters: 8.9205; 12.2652; 15.6666; 90; 90; 90;  

COD ID: 4507425
CIF file Formula: - C20 H20 N2 O5 -
Comments: Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G. Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines. ACS Combinatorial Science 15(1) (2013) 73
Space group: P 21 21 21
Cell volume: 1729.18
Cell parameters: 8.4613; 11.7986; 17.321; 90; 90; 90;  

COD ID: 4507426
CIF file Formula: - C14 H19 N O5 -
Comments: Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G. Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines. ACS Combinatorial Science 15(1) (2013) 73
Space group: P 1
Cell volume: 371.632
Cell parameters: 7.1189; 7.5252; 8.242; 104.816; 115.534; 96.832;  

COD ID: 4507427
CIF file Formula: - C19 H18 N2 O4 S -
Comments: Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G. Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines. ACS Combinatorial Science 15(1) (2013) 73
Space group: P 21 21 21
Cell volume: 1707.47
Cell parameters: 8.8621; 9.5987; 20.0726; 90; 90; 90;  

COD ID: 4507428
CIF file Formula: - C20 H13 Cl N2 O3 S -
Comments: Zhao, Yongmei; Dai, Qiaoling; Chen, Zhi; Zhang, Qihui; Bai, Yongcheng; Ma, Chen One Pot Regioselective Synthesis of a Small Library of Dibenzo[b,f][1,4]thiazepin-11(10H)-ones via Smiles Rearrangement. ACS combinatorial science 15(2) (2013) 130-134
Space group: P -1
Cell volume: 892.6
Cell parameters: 7.942; 9.763; 12.245; 93.077; 95.394; 108.561;  

COD ID: 4507429
CIF file Formula: - C32 H30 N2 O2 -
Comments: Fu, Li-Ping; Shi, Qing-Qing; Shi, Yu; Jiang, Bo; Tu, Shu-Jiang Three-Component Domino Reactions for Regioselective Formation of Bis-indole Derivatives. ACS combinatorial science 15(2) (2013) 135-140
Space group: C 1 2/c 1
Cell volume: 5191.5
Cell parameters: 28.65; 10.0714; 19.8284; 90; 114.854; 90;  

COD ID: 4507430
CIF file Formula: - C37 H31 F N2 O -
Comments: Fu, Li-Ping; Shi, Qing-Qing; Shi, Yu; Jiang, Bo; Tu, Shu-Jiang Three-Component Domino Reactions for Regioselective Formation of Bis-indole Derivatives. ACS combinatorial science 15(2) (2013) 135-140
Space group: P 1 21/c 1
Cell volume: 2931.3
Cell parameters: 13.3429; 22.031; 10.8285; 90; 112.944; 90;  

COD ID: 4507766
CIF file Formula: - C20 H17 F3 N2 O3 -
Comments: Lv, Longyun; Zheng, Sichao; Cai, Xiaotie; Chen, Zhipeng; Zhu, Qiuhua; Liu, Shuwen Development of four-component synthesis of tetra- and pentasubstituted polyfunctional dihydropyrroles: free permutation and combination of aromatic and aliphatic amines. ACS combinatorial science 15(4) (2013) 183-192
Space group: P 1 21/c 1
Cell volume: 1890.5
Cell parameters: 7.663; 8.714; 28.376; 90; 93.862; 90;  

COD ID: 4507878
CIF file Formula: - C27 H27 N O4 -
Comments: Mehta, Saurabh; Waldo, Jesse P.; Neuenswander, Benjamin; Lushington, Gerald H.; Larock, Richard C. Solution-Phase Parallel Synthesis of a Multisubstituted Cyclic Imidate Library ACS Combinatorial Science 15(5) (2013) 247
Space group: P 1 21/c 1
Cell volume: 2271.6
Cell parameters: 9.037; 19.075; 13.32; 90; 98.377; 90;  

COD ID: 4507879
CIF file Formula: - C28 H33 N5 O5 -
Comments: Li, Chao; Mu, Xing-Ye; Li, Yu-Ling; Liu, Yun; Wang, Xiang-Shan Combinatorial Synthesis of Fused Tetracyclic Heterocycles Containing [1,6]Naphthyridine Derivatives under Catalyst Free Conditions ACS Combinatorial Science 15(5) (2013) 267
Space group: P -1
Cell volume: 1374.7
Cell parameters: 11.5599; 11.5774; 11.8719; 87.024; 84.869; 60.309;  

COD ID: 4507880
CIF file Formula: - C28 H31 N5 O6 -
Comments: Li, Chao; Mu, Xing-Ye; Li, Yu-Ling; Liu, Yun; Wang, Xiang-Shan Combinatorial Synthesis of Fused Tetracyclic Heterocycles Containing [1,6]Naphthyridine Derivatives under Catalyst Free Conditions ACS Combinatorial Science 15(5) (2013) 267
Space group: P -1
Cell volume: 1369.33
Cell parameters: 10.7946; 11.2049; 12.5004; 94.181; 97.556; 112.765;  

COD ID: 4508107
CIF file Formula: - C19 H16 N4 -
Comments: Val, Cristina; Crespo, Abel; Yaziji, Vicente; Coelho, Alberto; Azuaje, Jhonny; El Maatougui, Abdelaziz; Carbajales, Carlos; Sotelo, Eddy Three-Component Assembly of Structurally Diverse 2-Aminopyrimidine-5-carbonitriles ACS Combinatorial Science 15(7) (2013) 370
Space group: P -1
Cell volume: 1564.3
Cell parameters: 8.7517; 13.6019; 14.2104; 103.154; 107.059; 92.307;  

COD ID: 4508108
CIF file Formula: - C27.5 H33 N3 O3 -
Comments: Granger, Brett A.; Wang, Zhiqian; Kaneda, Kyosuke; Fang, Zhenglai; Martin, Stephen F. Multicomponent Assembly Processes for the Synthesis of DiverseYohimbineandCorynantheAlkaloid Analogues ACS Combinatorial Science 15(7) (2013) 379
Space group: P n a 21
Cell volume: 4670.5
Cell parameters: 13.2429; 15.8911; 22.1933; 90; 90; 90;  

COD ID: 4508354
CIF file Formula: - C20 H14 Cl N2 -
Comments: Yang, Kai; Xiang, Jinbao; Bao, Guochen; Dang, Qun; Bai, Xu Synthesis of Highly Substituted 4H-Pyrido[1,2-a]pyrimidines via a One-Pot Three-Component Condensation Reaction. ACS combinatorial science 15(9) (2013) 519-524
Space group: P 1 21/n 1
Cell volume: 1555.1
Cell parameters: 6.3864; 14.638; 16.774; 90; 97.37; 90;  

COD ID: 4508359
CIF file Formula: - C11 H12 N2 O3 S3 -
Comments: Shestopalov, Anatoliy M.; Larionova, Natalia A.; Fedorov, Alexander E.; Rodinovskaya, Lyudmila A.; Mortikov, Valery Yu.; Zubarev, Andrey A.; Bushmarinov, Ivan S. Synthesis of Isomeric Isothiazolo[4′,3′:4,5]- and Isothiazolo[4′,5′:4,5]thieno[3,2-b]pyrano[2,3-d]pyridines by Combination of Domino Reactions ACS Combinatorial Science 15(10) (2013) 541
Space group: P 21 21 21
Cell volume: 1387
Cell parameters: 4.65; 13.822; 21.585; 90; 90; 90;  

COD ID: 4508360
CIF file Formula: - C11 H12 N2 O3 S3 -
Comments: Shestopalov, Anatoliy M.; Larionova, Natalia A.; Fedorov, Alexander E.; Rodinovskaya, Lyudmila A.; Mortikov, Valery Yu.; Zubarev, Andrey A.; Bushmarinov, Ivan S. Synthesis of Isomeric Isothiazolo[4′,3′:4,5]- and Isothiazolo[4′,5′:4,5]thieno[3,2-b]pyrano[2,3-d]pyridines by Combination of Domino Reactions ACS Combinatorial Science 15(10) (2013) 541
Space group: P 1 21/c 1
Cell volume: 1475.7
Cell parameters: 23.16; 4.6826; 13.811; 90; 99.849; 90;  

COD ID: 4508361
CIF file Formula: - C25 H30 N4 O2 -
Comments: Hsiao, Ya-Shan; Narhe, Bharat D.; Chang, Ying-Sheng; Sun, Chung-Ming One-Pot, Two-Step Synthesis of Imidazo[1,2-a]benzimidazoles via A Multicomponent [4 + 1] Cycloaddition Reaction ACS Combinatorial Science 15(10) (2013) 551
Space group: P 1 21 1
Cell volume: 1152.1
Cell parameters: 8.6381; 10.9354; 12.3989; 90; 100.365; 90;  

COD ID: 4509850
CIF file Formula: - C14 H11 F O4 -
Comments: Yu, Guanping; Kuo, David; Shoham, Menachem; Viswanathan, Rajesh Combinatorial Synthesis and in Vitro Evaluation of a Biaryl Hydroxyketone Library as Antivirulence Agents against MRSA. ACS combinatorial science 16(2) (2014) 85-91
Space group: P 1 21/c 1
Cell volume: 1209.1
Cell parameters: 4.964; 23.85; 10.416; 90; 101.338; 90;  

COD ID: 4509851
CIF file Formula: - C15 H14 O4 -
Comments: Yu, Guanping; Kuo, David; Shoham, Menachem; Viswanathan, Rajesh Combinatorial Synthesis and in Vitro Evaluation of a Biaryl Hydroxyketone Library as Antivirulence Agents against MRSA. ACS combinatorial science 16(2) (2014) 85-91
Space group: P c a 21
Cell volume: 1284
Cell parameters: 26.329; 6.6241; 7.3619; 90; 90; 90;  

COD ID: 4510038
CIF file Formula: - C31 H20 Cl2 N2 O3 S -
Comments: Yang, Jin-Ming; Hu, Yu; Li, Qiang; Yu, Fan; Cao, Jian; Fang, Dong; Huang, Zhi-Bin; Shi, Da-Qing Efficient and regioselective synthesis of novel functionalized dispiropyrrolidines and their cytotoxic activities. ACS combinatorial science 16(3) (2014) 139-145
Space group: P 1 21/n 1
Cell volume: 2700.3
Cell parameters: 10.912; 15.206; 16.341; 90; 95.182; 90;  

COD ID: 4510039
CIF file Formula: - C30 H21 N3 O5 -
Comments: Yang, Jin-Ming; Hu, Yu; Li, Qiang; Yu, Fan; Cao, Jian; Fang, Dong; Huang, Zhi-Bin; Shi, Da-Qing Efficient and regioselective synthesis of novel functionalized dispiropyrrolidines and their cytotoxic activities. ACS combinatorial science 16(3) (2014) 139-145
Space group: P -1
Cell volume: 1226.1
Cell parameters: 7.8331; 10.443; 16.69; 101.953; 94.064; 111.538;  

COD ID: 4510218
CIF file Formula: - C40 H35 Br N6 O7 -
Comments: Shaabani, Shabnam; Shaabani, Ahmad; Ng, Seik Weng One-Pot Synthesis of Coumarin-3-carboxamides Containing a Triazole Ring via an Isocyanide-Based Six-Component Reaction. ACS combinatorial science 16(4) (2014) 176-183
Space group: P -1
Cell volume: 1917.9
Cell parameters: 12.4676; 13.1793; 13.4844; 63.668; 76.613; 78.042;  

COD ID: 4510219
CIF file Formula: - C42 H41 Br N6 O8 S -
Comments: Shaabani, Shabnam; Shaabani, Ahmad; Ng, Seik Weng One-Pot Synthesis of Coumarin-3-carboxamides Containing a Triazole Ring via an Isocyanide-Based Six-Component Reaction. ACS combinatorial science 16(4) (2014) 176-183
Space group: P 1 21/c 1
Cell volume: 4256.9
Cell parameters: 14.2931; 21.7265; 14.7749; 90; 111.905; 90;  

COD ID: 4510220
CIF file Formula: - C41 H38 Br N5 O5 -
Comments: Shaabani, Shabnam; Shaabani, Ahmad; Ng, Seik Weng One-Pot Synthesis of Coumarin-3-carboxamides Containing a Triazole Ring via an Isocyanide-Based Six-Component Reaction. ACS combinatorial science 16(4) (2014) 176-183
Space group: P 1 21/c 1
Cell volume: 3666.1
Cell parameters: 14.81; 9.6105; 26.577; 90; 104.266; 90;  

COD ID: 4510221
CIF file Formula: - C22 H29 N3 O3 -
Comments: Ma, Guan-Hua; Tu, Xing-Jun; Ning, Yi; Jiang, Bo; Tu, Shu-Jiang Efficient Domino Strategy for the Synthesis of Polyfunctionalized Benzofuran-4(5H)-ones and Cinnoline-4-carboxamides. ACS combinatorial science 16(6) (2014) 281-286
Space group: P 1 21/c 1
Cell volume: 2184.1
Cell parameters: 11.477; 20.657; 10.078; 90; 113.922; 90;  

COD ID: 4510270
CIF file Formula: - C34 H28 N2 O5 -
Comments: Fu, Lei; Lin, Wei; Hu, Ming-Hua; Liu, Xue-Cheng; Huang, Zhi-Bin; Shi, Da-Qing Efficient Synthesis of Functionalized Benzo[b][1,8]naphthyridine Derivatives via Three-Component Reaction Catalyzed by l-Proline. ACS combinatorial science 16(5) (2014) 238
Space group: P 1 21/c 1
Cell volume: 2724.3
Cell parameters: 8.3089; 16.1429; 20.651; 90; 100.411; 90;  

COD ID: 4510602
CIF file Formula: - C21 H17 N O3 S -
Comments: Zhang, Yongqiang; Wang, Shengzheng; Wu, Shanchao; Zhu, Shiping; Dong, Guoqiang; Miao, Zhenyuan; Yao, Jianzhong; Zhang, Wannian; Sheng, Chunquan; Wang, Wei Facile construction of structurally diverse thiazolidinedione-derived compounds via divergent stereoselective cascade organocatalysis and their biological exploratory studies. ACS combinatorial science 15(6) (2013) 298-308
Space group: P 43
Cell volume: 1902.3
Cell parameters: 9.8991; 9.8991; 19.413; 90; 90; 90;  

COD ID: 4510603
CIF file Formula: - C12 H12 N O2.5 S2 -
Comments: Zhang, Yongqiang; Wang, Shengzheng; Wu, Shanchao; Zhu, Shiping; Dong, Guoqiang; Miao, Zhenyuan; Yao, Jianzhong; Zhang, Wannian; Sheng, Chunquan; Wang, Wei Facile construction of structurally diverse thiazolidinedione-derived compounds via divergent stereoselective cascade organocatalysis and their biological exploratory studies. ACS combinatorial science 15(6) (2013) 298-308
Space group: P 1 21 1
Cell volume: 1267.41
Cell parameters: 11.1316; 7.8164; 14.689; 90; 97.406; 90;  

COD ID: 4511893
CIF file Formula: - C19 H19 N3 O3 -
Comments: Peshkov, Vsevolod A.; Peshkov, Anatoly A.; Pereshivko, Olga P.; Van Hecke, Kristof; Zamigaylo, Lali L.; Van der Eycken, Erik V.; Gorobets, Nikolay Yu Three-Component Reaction of a 2-Aminoazine, a 2-Oxoaldehyde, and a Cyclic 1,3-Dicarbonyl Compound for the Synthesis of Imidazo[1,2-a]azine Derivatives. ACS combinatorial science 16(10) (2014) 535-542
Space group: P -1
Cell volume: 830.46
Cell parameters: 8.7561; 9.8293; 10.7014; 102.747; 100.48; 106.662;  

COD ID: 4511894
CIF file Formula: - C14 H16 N4 O4 -
Comments: Peshkov, Vsevolod A.; Peshkov, Anatoly A.; Pereshivko, Olga P.; Van Hecke, Kristof; Zamigaylo, Lali L.; Van der Eycken, Erik V.; Gorobets, Nikolay Yu Three-Component Reaction of a 2-Aminoazine, a 2-Oxoaldehyde, and a Cyclic 1,3-Dicarbonyl Compound for the Synthesis of Imidazo[1,2-a]azine Derivatives. ACS combinatorial science 16(10) (2014) 535-542
Space group: P -1
Cell volume: 712.35
Cell parameters: 7.7985; 8.6433; 11.7773; 88.318; 87.011; 63.972;  

COD ID: 4512194
CIF file Formula: - C22 H14 Cl2 N4 -
Comments: Das, Paramita; Chaudhuri, Tandrima; Mukhopadhyay, Chhanda Pseudo-five-component domino strategy for the combinatorial library synthesis of [1,6] naphthyridines-an on-water approach. ACS combinatorial science 16(11) (2014) 606-613
Space group: P -1
Cell volume: 992
Cell parameters: 6.8826; 9.9286; 14.9213; 87.899; 79.461; 81.747;  

COD ID: 4512195
CIF file Formula: - C18 H12 N4 S2 -
Comments: Das, Paramita; Chaudhuri, Tandrima; Mukhopadhyay, Chhanda Pseudo-five-component domino strategy for the combinatorial library synthesis of [1,6] naphthyridines-an on-water approach. ACS combinatorial science 16(11) (2014) 606-613
Space group: P 1 21/c 1
Cell volume: 1602.22
Cell parameters: 9.9246; 19.2913; 9.2604; 90; 115.353; 90;  

COD ID: 4512196
CIF file Formula: - C30 H26 N4 O2 S -
Comments: Das, Paramita; Chaudhuri, Tandrima; Mukhopadhyay, Chhanda Pseudo-five-component domino strategy for the combinatorial library synthesis of [1,6] naphthyridines-an on-water approach. ACS combinatorial science 16(11) (2014) 606-613
Space group: C 1 2/c 1
Cell volume: 5478
Cell parameters: 24.3833; 10.9507; 21.0261; 90; 102.648; 90;  

COD ID: 4512197
CIF file Formula: - C28 H20 Cl2 N4 O -
Comments: Das, Paramita; Chaudhuri, Tandrima; Mukhopadhyay, Chhanda Pseudo-five-component domino strategy for the combinatorial library synthesis of [1,6] naphthyridines-an on-water approach. ACS combinatorial science 16(11) (2014) 606-613
Space group: P 1 21/c 1
Cell volume: 2412.2
Cell parameters: 11.1947; 6.8437; 31.9454; 90; 99.735; 90;  

COD ID: 4512423
CIF file Formula: - C18 H15 N O2 -
Comments: Fu, Lei; Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Hu, Jun-Die; Zhang, Juan-Juan; Zhao, Yan-Wei; Huang, Zhi-Bin; Shi, Da-Qing Efficient synthesis and evaluation of antitumor activities of novel functionalized 1,8-naphthyridine derivatives. ACS combinatorial science 17(1) (2015) 24-31
Space group: P 1 21/c 1
Cell volume: 1436.6
Cell parameters: 15.516; 7.516; 12.331; 90; 92.523; 90;  

COD ID: 4512424
CIF file Formula: - C29 H33 N O4 -
Comments: Fu, Lei; Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Hu, Jun-Die; Zhang, Juan-Juan; Zhao, Yan-Wei; Huang, Zhi-Bin; Shi, Da-Qing Efficient synthesis and evaluation of antitumor activities of novel functionalized 1,8-naphthyridine derivatives. ACS combinatorial science 17(1) (2015) 24-31
Space group: P 1 21/n 1
Cell volume: 2576.4
Cell parameters: 12.9044; 12.0994; 17.6179; 90; 110.508; 90;  

COD ID: 4512591
CIF file Formula: - C22 H25 N4 O2 -
Comments: Selvaraju, Manikandan; Sun, Chung-Ming Unprecedented one-pot chemocontrolled entry to thioxoimidazolidinones and aminoimidazolones: synthesis of kinase inhibitor leucettamine B. ACS combinatorial science 17(3) (2015) 182-189
Space group: P c c n
Cell volume: 3917.1
Cell parameters: 16.1623; 17.5366; 13.8202; 90; 90; 90;  

COD ID: 4512592
CIF file Formula: - C18 H27 N3 O S -
Comments: Selvaraju, Manikandan; Sun, Chung-Ming Unprecedented one-pot chemocontrolled entry to thioxoimidazolidinones and aminoimidazolones: synthesis of kinase inhibitor leucettamine B. ACS combinatorial science 17(3) (2015) 182-189
Space group: P 1 21/c 1
Cell volume: 3644.5
Cell parameters: 13.1619; 11.2406; 25.1656; 90; 101.799; 90;  

COD ID: 4512676
CIF file Formula: - C17 H20 Br N3 O3 S -
Comments: Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones. ACS combinatorial science 17(3) (2015) 202-207
Space group: P -1
Cell volume: 894.31
Cell parameters: 6.9859; 8.9912; 15.1002; 73.049; 81.912; 82.561;  

COD ID: 4512677
CIF file Formula: - C20 H18 N2 O4 S -
Comments: Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones. ACS combinatorial science 17(3) (2015) 202-207
Space group: P -1
Cell volume: 1742.56
Cell parameters: 9.3579; 13.4701; 14.2923; 88.8035; 81.1389; 78.233;  

COD ID: 4512678
CIF file Formula: - C18 H21 N3 O4 -
Comments: Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones. ACS combinatorial science 17(3) (2015) 202-207
Space group: P 1 21/c 1
Cell volume: 1646.93
Cell parameters: 10.3503; 21.2485; 7.497; 90; 92.7326; 90;  

COD ID: 4512679
CIF file Formula: - C14 H16 N2 O4 S -
Comments: Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones. ACS combinatorial science 17(3) (2015) 202-207
Space group: P 1 21/n 1
Cell volume: 1409.62
Cell parameters: 10.8848; 9.6003; 14.2172; 90; 108.411; 90;  

COD ID: 4512680
CIF file Formula: - C21 H28 N4 O6 -
Comments: Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones. ACS combinatorial science 17(3) (2015) 202-207
Space group: P -1
Cell volume: 2155.2
Cell parameters: 7.2339; 15.6981; 20.0319; 73.025; 83.3904; 83.999;  

COD ID: 4512681
CIF file Formula: - C14 H16 N2 O4 S -
Comments: Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones. ACS combinatorial science 17(3) (2015) 202-207
Space group: F d d 2
Cell volume: 5640.3
Cell parameters: 18.2043; 38.6789; 8.0104; 90; 90; 90;  

COD ID: 4513557
CIF file Formula: - C40 H36 N2 O4 -
Comments: Mondal, Animesh; Mukhopadhyay, Chhanda FeCl3-Catalyzed Combinatorial Synthesis of Functionalized Spiro[Indolo-3,10'-indeno [1,2-b]quinolin]-trione Derivatives. ACS combinatorial science 17(7) (2015) 404-408
Space group: P 1 21/n 1
Cell volume: 3141.7
Cell parameters: 10.515; 13.418; 22.349; 90; 94.899; 90;  

COD ID: 4513558
CIF file Formula: - C23 H36 O5 Si -
Comments: Chamakuri, Srinivas; Jogula, Srinvas; Arya, Prabhat Regio- and Stereocontrolled Dieckmann Approach to Treprostinil-Inspired, Polycyclic Scaffold For Building Macrocyclic Diversity. ACS combinatorial science 17(8) (2015) 437-441
Space group: C 1 2/c 1
Cell volume: 4730.9
Cell parameters: 35.945; 7.1685; 24.167; 90; 130.561; 90;  

COD ID: 4513559
CIF file Formula: - C21 H13 Br N2 -
Comments: Park, Sujin; Kwon, Dah In; Lee, Jeeyeon; Kim, Ikyon When Indolizine Meets Quinoline: Diversity-Oriented Synthesis of New Polyheterocycles and Their Optical Properties. ACS combinatorial science 17(8) (2015) 459-469
Space group: P 21 21 21
Cell volume: 1534.2
Cell parameters: 4.1385; 17.8868; 20.726; 90; 90; 90;  

COD ID: 4513621
CIF file Formula: - C26 H21 N3 O4 -
Comments: Lee, Chia-Hsin; Wu, Wen-Chun; Dangate, Prasad S.; Shen, Li-Ching; Chung, Wen-Sheng; Sun, Chung-Ming Skeletally Diverse Synthesis of Innovative [2,1-c]-1,4-Oxazepine and [1,4]-Quinoxaline Systems. ACS combinatorial science 17(10) (2015) 623-630
Space group: P -1
Cell volume: 2124.8
Cell parameters: 10.983; 11.817; 18.748; 75.62; 87.482; 64.662;  

COD ID: 4513622
CIF file Formula: - C37 H39 N5 O8 -
Comments: Lee, Chia-Hsin; Wu, Wen-Chun; Dangate, Prasad S.; Shen, Li-Ching; Chung, Wen-Sheng; Sun, Chung-Ming Skeletally Diverse Synthesis of Innovative [2,1-c]-1,4-Oxazepine and [1,4]-Quinoxaline Systems. ACS combinatorial science 17(10) (2015) 623-630
Space group: P -1
Cell volume: 1666.9
Cell parameters: 8.1145; 14.457; 15.454; 69.4; 79.555; 83.787;  

COD ID: 4513719
CIF file Formula: - C19 H20 O2 S -
Comments: Dar, Ajaz A.; Enjamuri, Nagasuresh; Shadab, Md; Ali, Nahid; Khan, Abu T. Synthesis of Unsymmetrical Sulfides and Their Oxidation to Sulfones to Discover Potent Antileishmanial Agents. ACS combinatorial science 17(11) (2015) 671-681
Space group: P 1 21/c 1
Cell volume: 1656.1
Cell parameters: 16.054; 5.3498; 20.105; 90; 106.442; 90;  

COD ID: 4513720
CIF file Formula: - C19 H20 O4 S -
Comments: Dar, Ajaz A.; Enjamuri, Nagasuresh; Shadab, Md; Ali, Nahid; Khan, Abu T. Synthesis of Unsymmetrical Sulfides and Their Oxidation to Sulfones to Discover Potent Antileishmanial Agents. ACS combinatorial science 17(11) (2015) 671-681
Space group: P 1 21/c 1
Cell volume: 1758
Cell parameters: 5.446; 16.8784; 19.1283; 90; 91.083; 90;  

COD ID: 4513721
CIF file Formula: - C23 H20 O4 S -
Comments: Dar, Ajaz A.; Enjamuri, Nagasuresh; Shadab, Md; Ali, Nahid; Khan, Abu T. Synthesis of Unsymmetrical Sulfides and Their Oxidation to Sulfones to Discover Potent Antileishmanial Agents. ACS combinatorial science 17(11) (2015) 671-681
Space group: P 1 21/a 1
Cell volume: 1944.4
Cell parameters: 5.614; 32.096; 11.011; 90; 101.47; 90;  

COD ID: 4513722
CIF file Formula: - C23 H20 O2 S -
Comments: Dar, Ajaz A.; Enjamuri, Nagasuresh; Shadab, Md; Ali, Nahid; Khan, Abu T. Synthesis of Unsymmetrical Sulfides and Their Oxidation to Sulfones to Discover Potent Antileishmanial Agents. ACS combinatorial science 17(11) (2015) 671-681
Space group: P -1
Cell volume: 949
Cell parameters: 5.5396; 10.8167; 17.091; 72.01; 81.369; 78.119;  

COD ID: 4513733
CIF file Formula: - C29 H21 N3 O2 -
Comments: Liao, Wen-Li; Li, Shi-Qiang; Wang, Jun; Zhang, Zhi-Yu; Yang, Zhi-Wei; Xu, Di; Xu, Chuan; Lan, Hai-Tao; Chen, Zhong-Zhu; Xu, Zhi-Gang An Efficient and Facile Method for the Synthesis of Benzimidazoisoquinoline Derivatives via a Multicomponent Reaction. ACS combinatorial science 18(1) (2016) 65-69
Space group: P -1
Cell volume: 1112
Cell parameters: 10.1264; 11.3087; 11.5564; 67.874; 65.23; 83.135;  

COD ID: 4513859
CIF file Formula: - C23 H26 O3 -
Comments: Chen, Li-Hsun; Chung, Tsai-Wen; Narhe, Bharat D.; Sun, Chung-Ming A Novel Mechanistic Study on Ultrasound-Assisted, One-Pot Synthesis of Functionalized Benzimidazo[2,1-b]quinazolin-1(1H)-ones. ACS combinatorial science 18(3) (2016) 162-169
Space group: P 1 21/c 1
Cell volume: 1883.1
Cell parameters: 5.9268; 19.691; 16.257; 90; 97.006; 90;  

COD ID: 4513860
CIF file Formula: - C28 H31 N3 O3 -
Comments: Chen, Li-Hsun; Chung, Tsai-Wen; Narhe, Bharat D.; Sun, Chung-Ming A Novel Mechanistic Study on Ultrasound-Assisted, One-Pot Synthesis of Functionalized Benzimidazo[2,1-b]quinazolin-1(1H)-ones. ACS combinatorial science 18(3) (2016) 162-169
Space group: P -1
Cell volume: 1251.64
Cell parameters: 9.8984; 10.7623; 13.0612; 72.798; 81.612; 70.559;  

COD ID: 4513861
CIF file Formula: - C23 H28 O4 -
Comments: Chen, Li-Hsun; Chung, Tsai-Wen; Narhe, Bharat D.; Sun, Chung-Ming A Novel Mechanistic Study on Ultrasound-Assisted, One-Pot Synthesis of Functionalized Benzimidazo[2,1-b]quinazolin-1(1H)-ones. ACS combinatorial science 18(3) (2016) 162-169
Space group: I 41/a :2
Cell volume: 15698.5
Cell parameters: 20.7124; 20.7124; 36.593; 90; 90; 90;  

COD ID: 4513896
CIF file Formula: - C20 H18 N4 O -
Comments: Sumesh, Remani Vasudevan; Muthu, Muthumani; Almansour, Abdulrahman I.; Suresh Kumar, Raju; Arumugam, Natarajan; Athimoolam, S.; Jeya Yasmi Prabha, E. Arockia; Kumar, Raju Ranjith Multicomponent Dipolar Cycloaddition Strategy: Combinatorial Synthesis of Novel Spiro-Tethered Pyrazolo[3,4-b]quinoline Hybrid Heterocycles. ACS combinatorial science 18(5) (2016) 262-270
Space group: P -1
Cell volume: 866.6
Cell parameters: 8.829; 9.7497; 11.1413; 80.054; 72.419; 72.098;  

COD ID: 4513897
CIF file Formula: - C34 H27 Cl2 N5 O2 -
Comments: Sumesh, Remani Vasudevan; Muthu, Muthumani; Almansour, Abdulrahman I.; Suresh Kumar, Raju; Arumugam, Natarajan; Athimoolam, S.; Jeya Yasmi Prabha, E. Arockia; Kumar, Raju Ranjith Multicomponent Dipolar Cycloaddition Strategy: Combinatorial Synthesis of Novel Spiro-Tethered Pyrazolo[3,4-b]quinoline Hybrid Heterocycles. ACS combinatorial science 18(5) (2016) 262-270
Space group: P -1
Cell volume: 3581.5
Cell parameters: 14.3841; 14.7846; 16.9692; 91.767; 96.391; 92.148;  

COD ID: 4513898
CIF file Formula: - C17 H15 N3 O -
Comments: Sumesh, Remani Vasudevan; Muthu, Muthumani; Almansour, Abdulrahman I.; Suresh Kumar, Raju; Arumugam, Natarajan; Athimoolam, S.; Jeya Yasmi Prabha, E. Arockia; Kumar, Raju Ranjith Multicomponent Dipolar Cycloaddition Strategy: Combinatorial Synthesis of Novel Spiro-Tethered Pyrazolo[3,4-b]quinoline Hybrid Heterocycles. ACS combinatorial science 18(5) (2016) 262-270
Space group: P 1 21/n 1
Cell volume: 5663.2
Cell parameters: 13.6926; 18.4002; 22.7816; 90; 99.366; 90;  

COD ID: 4513909
CIF file Formula: - C17 H24 N2 O S3 -
Comments: Schlüter, Torben; Ziyaei Halimehjani, Azim; Wachtendorf, Daniel; Schmidtmann, Marc; Martens, Jürgen Four-Component Reaction for the Synthesis of Dithiocarbamates Starting from Cyclic Imines. ACS combinatorial science 18(8) (2016) 456-460
Space group: P 1 21/c 1
Cell volume: 1898.15
Cell parameters: 17.6665; 8.8044; 12.3437; 90; 98.647; 90;  

COD ID: 4513913
CIF file Formula: - C11 H13 N3 O2 S2 -
Comments: Myers, Stephanie M.; Bawn, Ruth H.; Bisset, Louise C.; Blackburn, Timothy J.; Cottyn, Betty; Molyneux, Lauren; Wong, Ai-Ching; Cano, Celine; Clegg, William; Harrington, Ross W.; Leung, Hing; Rigoreau, Laurent; Vidot, Sandrine; Golding, Bernard T.; Griffin, Roger J.; Hammonds, Tim; Newell, David R.; Hardcastle, Ian R. High-Throughput Screening and Hit Validation of Extracellular-Related Kinase 5 (ERK5) Inhibitors. ACS combinatorial science (2016)
Space group: P 1 21/n 1
Cell volume: 1259.5
Cell parameters: 7.826; 9.969; 16.338; 90; 98.843; 90;  

COD ID: 4513914
CIF file Formula: - C11 H13 N3 O2 S2 -
Comments: Myers, Stephanie M.; Bawn, Ruth H.; Bisset, Louise C.; Blackburn, Timothy J.; Cottyn, Betty; Molyneux, Lauren; Wong, Ai-Ching; Cano, Celine; Clegg, William; Harrington, Ross W.; Leung, Hing; Rigoreau, Laurent; Vidot, Sandrine; Golding, Bernard T.; Griffin, Roger J.; Hammonds, Tim; Newell, David R.; Hardcastle, Ian R. High-Throughput Screening and Hit Validation of Extracellular-Related Kinase 5 (ERK5) Inhibitors. ACS combinatorial science (2016)
Space group: P -1
Cell volume: 609.02
Cell parameters: 6.3088; 9.4321; 11.166; 92.623; 106.331; 105.543;  

COD ID: 4513915
CIF file Formula: - C10 H13 N3 O2 S2 -
Comments: Myers, Stephanie M.; Bawn, Ruth H.; Bisset, Louise C.; Blackburn, Timothy J.; Cottyn, Betty; Molyneux, Lauren; Wong, Ai-Ching; Cano, Celine; Clegg, William; Harrington, Ross W.; Leung, Hing; Rigoreau, Laurent; Vidot, Sandrine; Golding, Bernard T.; Griffin, Roger J.; Hammonds, Tim; Newell, David R.; Hardcastle, Ian R. High-Throughput Screening and Hit Validation of Extracellular-Related Kinase 5 (ERK5) Inhibitors. ACS combinatorial science (2016)
Space group: P c a 21
Cell volume: 2473.26
Cell parameters: 14.3612; 9.07325; 18.9809; 90; 90; 90;  

COD ID: 4513916
CIF file Formula: - C26 H32 N2 O -
Comments: Zheng, Sichao; Zhong, Shufang; Chen, Zhipeng; Chen, Wenhua; Zhu, Qiuhua Efficient Synthesis of a Series of Novel Octahydroquinazoline-5-ones via a Simple on-Water Urea-Catalyzed Chemoselective Five-Component Reaction. ACS combinatorial science 18(8) (2016) 475-481
Space group: P b c a
Cell volume: 4610.2
Cell parameters: 8.7284; 19.229; 27.468; 90; 90; 90;  

COD ID: 4513937
CIF file Formula: - C25 H18 O3 -
Comments: Dong, Haoxun; Xu, Lubin; Li, Shuai-Shuai; Wang, Liang; Shao, Chang-Lun; Xiao, Jian Facile Synthesis of Azaarene-Substituted Hydroxycoumarins Possessing High Biological Activities via Three-Component C(sp(3))-H Functionalization. ACS combinatorial science 18(9) (2016) 604-610
Space group: P 1 21/c 1
Cell volume: 1878.8
Cell parameters: 13.378; 9.446; 15.071; 90; 99.42; 90;  

COD ID: 4513957
CIF file Formula: - C24 H31 Cl2 N5 O2 -
Comments: Londregan, Allyn T.; Piotrowski, David W.; Wei, Liuqing Synthesis of Pyridazine-Based α-Helix Mimetics. ACS combinatorial science 18(10) (2016) 651-654
Space group: P 1 21/c 1
Cell volume: 2781.1
Cell parameters: 11.3607; 30.338; 8.2619; 90; 102.399; 90;  

COD ID: 4513959
CIF file Formula: - C24 H28 N4 O2 S -
Comments: Chen, Chan-Yu; Barve, Indrajeet J.; Sun, Chung-Ming One-Pot Three-Component Synthesis of 2-Imino-1,3-Thiazolines on Soluble Ionic Liquid Support. ACS combinatorial science 18(10) (2016) 638-643
Space group: P 1 21/c 1
Cell volume: 2244.64
Cell parameters: 14.8222; 13.9414; 11.4583; 90; 108.559; 90;  

COD ID: 4514032
CIF file Formula: - C26 H32 N12 O2 -
Comments: Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations. ACS combinatorial science 19(3) (2017) 193-198
Space group: I 1 2/a 1
Cell volume: 2711.54
Cell parameters: 14.3819; 8.1017; 23.2784; 90; 91.397; 90;  

COD ID: 4514033
CIF file Formula: - C9 H14 N6 O -
Comments: Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations. ACS combinatorial science 19(3) (2017) 193-198
Space group: P 1 21/c 1
Cell volume: 1035.22
Cell parameters: 10.7348; 9.1446; 11.7753; 90; 116.418; 90;  

COD ID: 4514034
CIF file Formula: - C16 H30 N6 O4 -
Comments: Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations. ACS combinatorial science 19(3) (2017) 193-198
Space group: P 1 21/c 1
Cell volume: 2032.95
Cell parameters: 22.7944; 7.5374; 12.1001; 90; 102.072; 90;  

COD ID: 4514035
CIF file Formula: - C15 H26 N6 O4 -
Comments: Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations. ACS combinatorial science 19(3) (2017) 193-198
Space group: C 1 2/c 1
Cell volume: 3599
Cell parameters: 15.8975; 12.9679; 19.3594; 90; 115.611; 90;  

COD ID: 4514036
CIF file Formula: - C15 H18 N6 O -
Comments: Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations. ACS combinatorial science 19(3) (2017) 193-198
Space group: P 1 21/c 1
Cell volume: 1453.39
Cell parameters: 11.5427; 8.6359; 14.6147; 90; 93.932; 90;  

COD ID: 4514144
CIF file Formula: - C15 H17 N5 O -
Comments: Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction. ACS combinatorial science 19(5) (2017) 343-350
Space group: P 1 21/a 1
Cell volume: 1359.4
Cell parameters: 6.9311; 19.6495; 10.2901; 90; 104.068; 90;  

COD ID: 4514145
CIF file Formula: - C13 H20 N6 O3 -
Comments: Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction. ACS combinatorial science 19(5) (2017) 343-350
Space group: P -1
Cell volume: 2990.01
Cell parameters: 14.5469; 15.1175; 15.4719; 85.09; 61.986; 89.869;  

COD ID: 4514146
CIF file Formula: - C17 H20 N6 O -
Comments: Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction. ACS combinatorial science 19(5) (2017) 343-350
Space group: P 1 21/c 1
Cell volume: 1571.9
Cell parameters: 9.3572; 14.6849; 12.2349; 90; 110.771; 90;  

COD ID: 4514147
CIF file Formula: - C18 H22 N6 O3 -
Comments: Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction. ACS combinatorial science 19(5) (2017) 343-350
Space group: P 1 21/c 1
Cell volume: 1796.52
Cell parameters: 9.5857; 14.8105; 13.4801; 90; 110.159; 90;  

COD ID: 4514148
CIF file Formula: - C9 H15 N5 O -
Comments: Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction. ACS combinatorial science 19(5) (2017) 343-350
Space group: P 1 21/a 1
Cell volume: 2174.6
Cell parameters: 12.0138; 11.5538; 16.1111; 90; 103.49; 90;  

COD ID: 4514149
CIF file Formula: - C10 H17 N5 O -
Comments: Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction. ACS combinatorial science 19(5) (2017) 343-350
Space group: P -1
Cell volume: 2363.18
Cell parameters: 11.5385; 13.156; 17.7901; 77.4; 89.452; 64.277;  

COD ID: 4514150
CIF file Formula: - C38 H35.94 N10 O6 -
Comments: Rao, H. Surya Prakash; Adigopula, Lakshmi Narayana; Ramadas, Krishna One-Pot Synthesis of Densely Substituted Pyrazolo[3,4-b]-4,7-dihydropyridines. ACS combinatorial science 19(5) (2017) 279-285
Space group: P -1
Cell volume: 2202.5
Cell parameters: 11.3633; 12.479; 16.6341; 86.351; 72.539; 78.203;  

COD ID: 4514156
CIF file Formula: - C36 H36 N2 O2 -
Comments: Tomažin, Urša; Grošelj, Uroš; Počkaj, Marta; Požgan, Franc; Štefane, Bogdan; Svete, Jurij Combinatorial Synthesis of Acacen-Type Ligands and Their Coordination Compounds. ACS combinatorial science 19(6) (2017) 386-396
Space group: P -1
Cell volume: 1509.1
Cell parameters: 8.7645; 11.9515; 15.6337; 111.859; 95.746; 91.269;  

COD ID: 4514157
CIF file Formula: - C28 H34 Cu N2 O2 -
Comments: Tomažin, Urša; Grošelj, Uroš; Počkaj, Marta; Požgan, Franc; Štefane, Bogdan; Svete, Jurij Combinatorial Synthesis of Acacen-Type Ligands and Their Coordination Compounds. ACS combinatorial science 19(6) (2017) 386-396
Space group: P 1 21 1
Cell volume: 2520.02
Cell parameters: 12.4654; 14.3184; 14.1523; 90; 93.932; 90;  

COD ID: 4514186
CIF file Formula: - C16 H13 N5 O3 -
Comments: Rajarathinam, Balakrishnan; Kumaravel, Kandhasamy; Vasuki, Gnanasambandam "In Water": Organocatalyzed Diastereoselective Multicomponent Reactions toward 2-Azapyrrolizidine Alkaloid Scaffolds. ACS combinatorial science 19(7) (2017) 455-463
Space group: P b c a
Cell volume: 3030.2
Cell parameters: 10.6055; 14.1632; 20.1734; 90; 90; 90;  

COD ID: 4514191
CIF file Formula: - C22 H27 N3 O2 -
Comments: Hsu, Wei-Shun; Tsai, Min-Huan; Barve, Indrajeet J.; Yellol, Gorakh S.; Sun, Chung-Ming Synthesis of Aminofuran-Linked Benzimidazoles and Cyanopyrrole-Fused Benzimidazoles by Condition-Based Skeletal Divergence. ACS combinatorial science 19(7) (2017) 492-499
Space group: P 1 21/c 1
Cell volume: 1959
Cell parameters: 9.67; 7.9813; 25.577; 90; 97.063; 90;  

COD ID: 4514227
CIF file Formula: - C31 H31 N3 O4 -
Comments: Ghoshal, Anirban; Yugandhar, Doddapaneni; Nanubolu, Jagadeesh Babu; Srivastava, Ajay Kumar An Efficient One-Pot Synthesis of Densely Functionalized Fused-Quinolines via Sequential Ugi4CC and Acid-Mediated Povarov-Type Reaction. ACS combinatorial science 19(9) (2017) 600-608
Space group: P -1
Cell volume: 1327.4
Cell parameters: 10.579; 11.195; 11.534; 86.716; 76.764; 88.392;  

COD ID: 4514287
CIF file Formula: - C18 H17 Cl N2 O5 -
Comments: Mali, Prakash R.; Shirsat, Prashishkumar K.; Khomane, Navnath; Nayak, Lakshama; Nanubolu, Jagadeesh Babu; Meshram, H. M. 1,3-Dipolar Cycloaddition Reactions for the Synthesis of Novel Oxindole Derivatives and Their Cytotoxic Properties. ACS combinatorial science 19(10) (2017) 633-639
Space group: P -1
Cell volume: 885.8
Cell parameters: 9.06; 10.055; 10.287; 81.458; 72.948; 86.293;  

COD ID: 4514288
CIF file Formula: - C29 H31 Cl N2 O6 -
Comments: Mali, Prakash R.; Shirsat, Prashishkumar K.; Khomane, Navnath; Nayak, Lakshama; Nanubolu, Jagadeesh Babu; Meshram, H. M. 1,3-Dipolar Cycloaddition Reactions for the Synthesis of Novel Oxindole Derivatives and Their Cytotoxic Properties. ACS combinatorial science 19(10) (2017) 633-639
Space group: P 1 21/n 1
Cell volume: 5689
Cell parameters: 15.58; 10.475; 35.3; 90; 99.07; 90;  

COD ID: 4514314
CIF file Formula: - C22 H22 Cl N O5 -
Comments: Lin, Wei; Zheng, Yong-Xiang; Xun, Zhan; Huang, Zhi-Bin; Shi, Da-Qing Microwave-Assisted Regioselective Synthesis of 3-Functionalized Indole Derivatives via Three-Component Domino Reaction. ACS combinatorial science 19(11) (2017) 708-713
Space group: P -1
Cell volume: 966.76
Cell parameters: 8.682; 11.0069; 11.5211; 110.581; 105.689; 96.208;  

COD ID: 4514375
CIF file Formula: - C16 H20 N6 O S -
Comments: Rainoldi, Giulia; Begnini, Fabio; de Munnik, Mariska; Lo Presti, Leonardo; Vande Velde, Christophe M. L.; Orru, Romano; Lesma, Giordano; Ruijter, Eelco; Silvani, Alessandra Sequential Multicomponent Strategy for the Diastereoselective Synthesis of Densely Functionalized Spirooxindole-Fused Thiazolidines. ACS combinatorial science 20(2) (2018) 98-105
Space group: P 1 21/n 1
Cell volume: 1666.22
Cell parameters: 9.4004; 10.3302; 17.3152; 90; 97.717; 90;  

COD ID: 4514376
CIF file Formula: - C23 H33 N3 O4 S -
Comments: Rainoldi, Giulia; Begnini, Fabio; de Munnik, Mariska; Lo Presti, Leonardo; Vande Velde, Christophe M. L.; Orru, Romano; Lesma, Giordano; Ruijter, Eelco; Silvani, Alessandra Sequential Multicomponent Strategy for the Diastereoselective Synthesis of Densely Functionalized Spirooxindole-Fused Thiazolidines. ACS combinatorial science 20(2) (2018) 98-105
Space group: P 1 21/c 1
Cell volume: 2439.02
Cell parameters: 19.435; 13.112; 9.575; 90; 91.632; 90;  

COD ID: 4514399
CIF file Formula: - C23 H19 N5 O5 -
Comments: Madhavachary, Rudrakshula; Zarganes-Tzitzikas, Tryfon; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander Synthesis of Highly Substituted Imidazole Uracil Containing Molecules via Ugi-4CR and Passerini-3CR. ACS combinatorial science 20(4) (2018) 192-196
Space group: P -1
Cell volume: 2034.44
Cell parameters: 12.1203; 12.6914; 14.9284; 92.955; 104.279; 112.139;  

COD ID: 4514905
CIF file Formula: - C21 H14 O2 S -
Comments: Singh, Dileep Kumar; Jang, Kyungkuk; Kim, Jinhwang; Lee, Jeeyeon; Kim, Ikyon Intramolecular Electrophilic Cyclization Approach to 6-Substituted Naphtho[2,1- b]benzofurans: Novel Dual-State Emissive Fluorophores with Blue Emission. ACS combinatorial science 21(5) (2019) 408-416
Space group: I 1 a 1
Cell volume: 1567.16
Cell parameters: 5.7293; 15.1954; 18.1245; 90; 96.688; 90;  

COD ID: 4514906
CIF file Formula: - C13 H9 F N2 -
Comments: Mishra, Nidhi; Singh, Anoop S.; Agrahari, Anand K.; Singh, Sumit K.; Singh, Mala; Tiwari, Vinod K. Synthesis of Benz-Fused Azoles via C-Heteroatom Coupling Reactions Catalyzed by Cu(I) in the Presence of Glycosyltriazole Ligands. ACS combinatorial science 21(5) (2019) 389-399
Space group: P b c a
Cell volume: 2122.6
Cell parameters: 29.608; 7.135; 10.0478; 90; 90; 90;  

COD ID: 4514907
CIF file Formula: - C24 H27 N3 O5 -
Comments: Mishra, Nidhi; Singh, Anoop S.; Agrahari, Anand K.; Singh, Sumit K.; Singh, Mala; Tiwari, Vinod K. Synthesis of Benz-Fused Azoles via C-Heteroatom Coupling Reactions Catalyzed by Cu(I) in the Presence of Glycosyltriazole Ligands. ACS combinatorial science 21(5) (2019) 389-399
Space group: P 21 21 21
Cell volume: 2214.69
Cell parameters: 5.4865; 19.6475; 20.5452; 90; 90; 90;  

COD ID: 4514908
CIF file Formula: - C13 H9 N3 O2 S -
Comments: Mishra, Nidhi; Singh, Anoop S.; Agrahari, Anand K.; Singh, Sumit K.; Singh, Mala; Tiwari, Vinod K. Synthesis of Benz-Fused Azoles via C-Heteroatom Coupling Reactions Catalyzed by Cu(I) in the Presence of Glycosyltriazole Ligands. ACS combinatorial science 21(5) (2019) 389-399
Space group: P 1 21/c 1
Cell volume: 2432
Cell parameters: 19.735; 5.187; 25.427; 90; 110.875; 90;  

COD ID: 4514909
CIF file Formula: - C16 H14 N2 O S -
Comments: Barve, Indrajeet J.; Chang, Wong-Jin; Lin, Yen-Tzu; Thikekar, Tushar Ulhas; Sun, Chung-Ming Base Controlled Three-Component Regioselective Synthesis of 2-Imino Thiazolines and 2-Thioxoimidazolin-4-ones. ACS combinatorial science 21(4) (2019) 269-275
Space group: C 1 2/c 1
Cell volume: 2833
Cell parameters: 28.396; 4.995; 20.877; 90; 106.921; 90;  

COD ID: 4514910
CIF file Formula: - C31 H26 N2 O2 S -
Comments: Barve, Indrajeet J.; Chang, Wong-Jin; Lin, Yen-Tzu; Thikekar, Tushar Ulhas; Sun, Chung-Ming Base Controlled Three-Component Regioselective Synthesis of 2-Imino Thiazolines and 2-Thioxoimidazolin-4-ones. ACS combinatorial science 21(4) (2019) 269-275
Space group: P 41
Cell volume: 2491.61
Cell parameters: 10.0749; 10.0749; 24.547; 90; 90; 90;  

COD ID: 4514911
CIF file Formula: - C21 H22 N2 O2 S -
Comments: Barve, Indrajeet J.; Chang, Wong-Jin; Lin, Yen-Tzu; Thikekar, Tushar Ulhas; Sun, Chung-Ming Base Controlled Three-Component Regioselective Synthesis of 2-Imino Thiazolines and 2-Thioxoimidazolin-4-ones. ACS combinatorial science 21(4) (2019) 269-275
Space group: P b c a
Cell volume: 3748.6
Cell parameters: 12.6875; 11.3244; 26.09; 90; 90; 90;  

COD ID: 4514912
CIF file Formula: - C25 H27 N3 O6 -
Comments: Liu, Shih-I; Haung, Jia-Yun; Barve, Indrajeet J.; Huang, Sheng-Cih; Sun, Chung-Ming Enantioselective Synthesis of Hydantoin and Diketopiperazine-Fused Tetrahydroisoquinolines via Pictet-Spengler Reaction. ACS combinatorial science 21(4) (2019) 336-344
Space group: P 21 21 21
Cell volume: 2224.5
Cell parameters: 5.4995; 18.143; 22.295; 90; 90; 90;  

COD ID: 4514913
CIF file Formula: - C23 H23 N2 O4 S -
Comments: Liu, Shih-I; Haung, Jia-Yun; Barve, Indrajeet J.; Huang, Sheng-Cih; Sun, Chung-Ming Enantioselective Synthesis of Hydantoin and Diketopiperazine-Fused Tetrahydroisoquinolines via Pictet-Spengler Reaction. ACS combinatorial science 21(4) (2019) 336-344
Space group: P -1
Cell volume: 4355.7
Cell parameters: 14.811; 16.4734; 19.615; 100.872; 90.005; 111.647;  

COD ID: 4514914
CIF file Formula: - C19 H20 N2 O6 -
Comments: Liu, Shih-I; Haung, Jia-Yun; Barve, Indrajeet J.; Huang, Sheng-Cih; Sun, Chung-Ming Enantioselective Synthesis of Hydantoin and Diketopiperazine-Fused Tetrahydroisoquinolines via Pictet-Spengler Reaction. ACS combinatorial science 21(4) (2019) 336-344
Space group: P 1 21 1
Cell volume: 844.35
Cell parameters: 8.2378; 8.6386; 12.0226; 90; 99.287; 90;  

COD ID: 4514915
CIF file Formula: - C19 H20 N2 O6 -
Comments: Liu, Shih-I; Haung, Jia-Yun; Barve, Indrajeet J.; Huang, Sheng-Cih; Sun, Chung-Ming Enantioselective Synthesis of Hydantoin and Diketopiperazine-Fused Tetrahydroisoquinolines via Pictet-Spengler Reaction. ACS combinatorial science 21(4) (2019) 336-344
Space group: P 21 21 21
Cell volume: 1758.03
Cell parameters: 8.2567; 10.4077; 20.4581; 90; 90; 90;  

COD ID: 4514916
CIF file Formula: - C26 H24 N2 O3 Se -
Comments: Vyhivskyi, Oleksandr; Dlin, Egor A.; Finko, Alexander V.; Stepanova, Saiyyna P.; Ivanenkov, Yan A.; Skvortsov, Dmitry A.; Mironov, Andrei V.; Zyk, Nikolay V.; Majouga, Alexander G.; Beloglazkina, Elena K. Copper-Promoted C-Se Cross-Coupling of 2-Selenohydantoins with Arylboronic Acids in an Open Flask. ACS combinatorial science 21(6) (2019) 456-464
Space group: P -1
Cell volume: 1139.46
Cell parameters: 7.6852; 10.0944; 15.8894; 102.737; 102.286; 100.664;  

COD ID: 4514917
CIF file Formula: - C15 H16 N2 O2 Se -
Comments: Vyhivskyi, Oleksandr; Dlin, Egor A.; Finko, Alexander V.; Stepanova, Saiyyna P.; Ivanenkov, Yan A.; Skvortsov, Dmitry A.; Mironov, Andrei V.; Zyk, Nikolay V.; Majouga, Alexander G.; Beloglazkina, Elena K. Copper-Promoted C-Se Cross-Coupling of 2-Selenohydantoins with Arylboronic Acids in an Open Flask. ACS combinatorial science 21(6) (2019) 456-464
Space group: P -1
Cell volume: 732.73
Cell parameters: 5.7091; 11.1223; 12.4991; 105.121; 101.686; 98.661;  

COD ID: 4514918
CIF file Formula: - C20 H23 N5 O -
Comments: Junaid, Ahmad; Lim, Felicia Phei Lin; Tiekink, Edward R. T.; Dolzhenko, Anton V. New One-Pot Synthesis of 1,3,5-Triazines: Three-Component Condensation, Dimroth Rearrangement, and Dehydrogenative Aromatization. ACS combinatorial science 21(7) (2019) 548-555
Space group: P 1 21/c 1
Cell volume: 1821.57
Cell parameters: 14.3159; 10.6004; 12.1334; 90; 98.394; 90;  

COD ID: 4514919
CIF file Formula: - C21 H16 F3 N4 -
Comments: He, Qiu-Xing; Liang, Yao-Feng; Xu, Chang; Yao, Xiao-Kun; Cao, Hua; Yao, Hua-Gang Highly Regioselective, Acid-Catalyzed, Three-Component Cascade Reaction for the Synthesis of 2-aminopyridine-Decorated Imidazo[1,2- a]pyridine. ACS combinatorial science 21(3) (2019) 149-153
Space group: P -1
Cell volume: 1859.55
Cell parameters: 8.9672; 13.9684; 14.9369; 90.013; 90.036; 96.329;  

COD ID: 4515830
CIF file Formula: - C23 H16 N4 O -
Comments: Panda, Subhankar; Pradhan, Nirmalya; Manna, Debasis Ring-Opening of Indoles: An Unconventional Route for the Transformation of Indoles to 1 H-Pyrazoles Using Lewis Acid. ACS combinatorial science 20(10) (2018) 573-578
Space group: P 1 21/n 1
Cell volume: 1949.4
Cell parameters: 12.5286; 9.981; 16.3134; 90; 107.132; 90;  

COD ID: 4515831
CIF file Formula: - C21 H16 N2 O3 -
Comments: Lei, Jie; Xu, Zhi-Gang; Tang, Dian-Yong; Li, Yong; Xu, Jia; Li, Hong-Yu; Zhu, Jin; Chen, Zhong-Zhu Acid-Promoted One-Pot Synthesis of Substituted Furan and 6-Methylpyrazin-2(1 H)-one Derivatives via Allene Intermediate Formed in Situ. ACS combinatorial science 20(5) (2018) 292-297
Space group: P 21 21 21
Cell volume: 1661.12
Cell parameters: 8.6461; 9.1906; 20.9044; 90; 90; 90;  

COD ID: 4515832
CIF file Formula: - C13 H11 N3 O -
Comments: Schmitt, Daniel C.; Niljianskul, Nootaree; Sach, Neal W.; Trujillo, John I. A Parallel Approach to 7-(Hetero)arylpyrazolo[1,5- a]pyrimidin-5-ones. ACS combinatorial science 20(5) (2018) 256-260
Space group: I b a 2
Cell volume: 2116.9
Cell parameters: 14.7666; 20.376; 7.0357; 90; 90; 90;  

COD ID: 4515833
CIF file Formula: - C12 H8 Br N3 O -
Comments: Schmitt, Daniel C.; Niljianskul, Nootaree; Sach, Neal W.; Trujillo, John I. A Parallel Approach to 7-(Hetero)arylpyrazolo[1,5- a]pyrimidin-5-ones. ACS combinatorial science 20(5) (2018) 256-260
Space group: P -1
Cell volume: 540.76
Cell parameters: 3.9214; 11.8486; 13.0394; 63.424; 86.421; 87.903;  

COD ID: 4515834
CIF file Formula: - C20 H14 F3 N3 O -
Comments: Schmitt, Daniel C.; Niljianskul, Nootaree; Sach, Neal W.; Trujillo, John I. A Parallel Approach to 7-(Hetero)arylpyrazolo[1,5- a]pyrimidin-5-ones. ACS combinatorial science 20(5) (2018) 256-260
Space group: P 1 21/c 1
Cell volume: 1673.4
Cell parameters: 10.0456; 7.8337; 21.6495; 90; 100.829; 90;  

COD ID: 4515835
CIF file Formula: - C13 H11 N3 O -
Comments: Schmitt, Daniel C.; Niljianskul, Nootaree; Sach, Neal W.; Trujillo, John I. A Parallel Approach to 7-(Hetero)arylpyrazolo[1,5- a]pyrimidin-5-ones. ACS combinatorial science 20(5) (2018) 256-260
Space group: P -1
Cell volume: 1066.57
Cell parameters: 9.3064; 9.4101; 12.8642; 90.662; 105.308; 100.426;  

COD ID: 4515836
CIF file Formula: - C54 H68 N10 O8 S2 -
Comments: Madhavachary, Rudrakshula; Zarganes-Tzitzikas, Tryfon; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander Synthesis of Highly Substituted Imidazole Uracil Containing Molecules via Ugi-4CR and Passerini-3CR. ACS combinatorial science 20(4) (2018) 192-196
Space group: P -1
Cell volume: 2673.8
Cell parameters: 13.3492; 13.7951; 15.3909; 92.125; 104.408; 101.959;  

COD ID: 4515837
CIF file Formula: - C31 H27 Cl2 N3 O3 S -
Comments: Parhizkar, Golnaz; Khosropour, Ahmad Reza; Mohammadpoor-Baltork, Iraj; Parhizkar, Elahehnaz; Amiri Rudbari, Hadi CsF-Catalyzed Transannulation Reaction of Oxazolones: Diastereoselective Synthesis of Diversified trans- N-(6-Oxo-1,4,5,6-tetrahydropyrimidin-5-yl)benzamides with Arylidene Azlactones and Amidines. ACS combinatorial science 20(6) (2018) 358-365
Space group: P n a 21
Cell volume: 2988.5
Cell parameters: 29.879; 10.897; 9.1788; 90; 90; 90;  

COD ID: 4515838
CIF file Formula: - C15 H14 N2 O -
Comments: Rao, R. Nishanth; Mm, Balamurali; Maiti, Barnali; Thakuria, Ranjit; Chanda, Kaushik Efficient Access to Imidazo[1,2- a]pyridines/pyrazines/pyrimidines via Catalyst-Free Annulation Reaction under Microwave Irradiation in Green Solvent. ACS combinatorial science 20(3) (2018) 164-171
Space group: P 1 21/c 1
Cell volume: 1224.6
Cell parameters: 15.722; 5.7944; 13.6813; 90; 100.711; 90;  

COD ID: 4515839
CIF file Formula: - C21 H20 N2 O2 -
Comments: Wu, Tz-Yi; Dhole, Sandip; Selvaraju, Manikandan; Sun, Chung-Ming Regioselective Synthesis of Pyranone-Fused Indazoles via Reductive Cyclization and Alkyne Insertion. ACS combinatorial science 20(3) (2018) 156-163
Space group: P b c a
Cell volume: 3391.1
Cell parameters: 16.355; 7.4111; 27.977; 90; 90; 90;  

COD ID: 4515840
CIF file Formula: - C30 H22 N2 O3 -
Comments: Wu, Tz-Yi; Dhole, Sandip; Selvaraju, Manikandan; Sun, Chung-Ming Regioselective Synthesis of Pyranone-Fused Indazoles via Reductive Cyclization and Alkyne Insertion. ACS combinatorial science 20(3) (2018) 156-163
Space group: P -1
Cell volume: 2323.4
Cell parameters: 11.032; 14.107; 15.819; 75.643; 83.233; 77.531;  

COD ID: 4515841
CIF file Formula: - C14 H12 N2 O2 S -
Comments: Wu, Tz-Yi; Dhole, Sandip; Selvaraju, Manikandan; Sun, Chung-Ming Regioselective Synthesis of Pyranone-Fused Indazoles via Reductive Cyclization and Alkyne Insertion. ACS combinatorial science 20(3) (2018) 156-163
Space group: P 1 21/n 1
Cell volume: 1237.58
Cell parameters: 5.8579; 7.7589; 27.231; 90; 90.708; 90;  

COD ID: 4515842
CIF file Formula: - C33 H39 N O4 -
Comments: Nongthombam, Geetmani Singh; Borah, Kasmika; Muinao, Thingreila; Silla, Yumnam; Pal, Mintu; Deka Boruah, Hari Prasanna; Boruah, Romesh Chandra Synthesis of D-Ring Annulated Pyridosteroids from β-Formyl Enamides and Their Biological Evaluations. ACS combinatorial science 21(1) (2019) 11-27
Space group: P 1 21 1
Cell volume: 1413.66
Cell parameters: 14.7787; 5.9377; 16.8849; 90; 107.428; 90;  

COD ID: 4516795
CIF file Formula: - C34 H34 N2 O4 -
Comments: Asadi, Beheshteh; Landarani-Isfahani, Amir; Mohammadpoor-Baltork, Iraj; Tangestaninejad, Shahram; Moghadam, Majid; Mirkhani, Valiollah; Amiri Rudbari, Hadi Diastereoselective Synthesis of Symmetrical and Unsymmetrical Tetrahydropyridines Catalyzed by Bi(III) Immobilized on Triazine Dendrimer Stabilized Magnetic Nanoparticles. ACS combinatorial science 19(6) (2017) 356-364
Space group: P 1 21/c 1
Cell volume: 5692
Cell parameters: 14.612; 31.468; 12.38; 90; 90.29; 90;  

COD ID: 4516796
CIF file Formula: - C29 H22 Cl2 N2 O2 S2 -
Comments: Anusha Rani, Mani; Vivek Kumar, Sundaravel; Malathi, Karuppiah; Muthu, Muthumani; Almansour, Abdulrahman I.; Suresh Kumar, Raju; Ranjith Kumar, Raju A One-Pot Multicomponent 1,3-Dipolar Cycloaddition Strategy: Combinatorial Synthesis of Dihydrothiophenone-Engrafted Dispiro Hybrid Heterocycles. ACS combinatorial science 19(5) (2017) 308-314
Space group: P 1 21/c 1
Cell volume: 2692.5
Cell parameters: 10.4094; 11.0413; 23.4593; 90; 93.015; 90;  

COD ID: 4516797
CIF file Formula: - C21 H19 N3 O3 -
Comments: Yao, Po-Hsin Eric; Kumar, Sunil; Liu, Yu-Li; Fang, Chiu-Ping; Liu, Chia-Chen; Sun, Chung-Ming Diversity-Oriented Synthesis of Coumarin-Linked Benzimidazoles via a One-Pot, Three-Step, Intramolecular Knoevenagel Cyclization. ACS combinatorial science 19(4) (2017) 271-275
Space group: P b c a
Cell volume: 3482.4
Cell parameters: 15.978; 11.3704; 19.168; 90; 90; 90;  

COD ID: 4517187
CIF file Formula: - C27 H24 N4 O S -
Comments: Lu, Hsueh-Yuan; Barve, Indrajeet J.; Selvaraju, Manikandan; Sun, Chung-Ming One-Pot Synthesis of Unsymmetrical Bis-Heterocycles: Benzimidazole-, Benzoxazole-, and Benzothiazole-Linked Thiazolidines. ACS combinatorial science (2019)
Space group: P 1 21/c 1
Cell volume: 2223.77
Cell parameters: 15.9136; 8.7495; 17.2835; 90; 112.471; 90;  

COD ID: 4517341
CIF file Formula: - C19 H12 Cl Cu N3 O5 -
Comments: Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes. ACS combinatorial science (2020)
Space group: P -1
Cell volume: 883.07
Cell parameters: 7.7692; 10.2212; 11.985; 88.69; 79.375; 70.875;  

COD ID: 4517342
CIF file Formula: - C17 H11 Br Cl Cu N3 O5 -
Comments: Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes. ACS combinatorial science (2020)
Space group: P 1 21/n 1
Cell volume: 1775.14
Cell parameters: 9.501; 12.0141; 16.0425; 90; 104.212; 90;  

COD ID: 4517343
CIF file Formula: - C17 H11 Cl2 Cu N3 O5 -
Comments: Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes. ACS combinatorial science (2020)
Space group: P 1 21/n 1
Cell volume: 1782.81
Cell parameters: 9.0204; 12.282; 16.5426; 90; 103.404; 90;  

COD ID: 4517344
CIF file Formula: - C17 H11 Br2 Cu N3 O5 -
Comments: Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes. ACS combinatorial science (2020)
Space group: P 1 21/n 1
Cell volume: 1789.04
Cell parameters: 9.4571; 12.0889; 16.1386; 90; 104.155; 90;  

COD ID: 4517345
CIF file Formula: - C34 H24 Cl2 Cu2 N6 O10 -
Comments: Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes. ACS combinatorial science (2020)
Space group: P 1 21/c 1
Cell volume: 1712.92
Cell parameters: 11.1024; 9.8747; 16.2535; 90; 105.997; 90;  

COD ID: 4517346
CIF file Formula: - C17 H13 Cu N3 O5 -
Comments: Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes. ACS combinatorial science (2020)
Space group: P -1
Cell volume: 779.56
Cell parameters: 8.3749; 9.8223; 10.502; 97.603; 112.314; 96.478;  

COD ID: 4517347
CIF file Formula: - C17 H12 Br Cu N3 O5 -
Comments: Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes. ACS combinatorial science (2020)
Space group: P 1 21/c 1
Cell volume: 1754.33
Cell parameters: 11.2956; 9.8232; 16.4469; 90; 105.989; 90;  

COD ID: 4517348
CIF file Formula: - C19 H13 Cu N3 O5 -
Comments: Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes. ACS combinatorial science (2020)
Space group: P -1
Cell volume: 827.58
Cell parameters: 8.8193; 8.9176; 11.4613; 94.706; 111.477; 95.805;  

COD ID: 4517741
CIF file Formula: - C22 H17 N5 O2 -
Comments: Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander Scaffolding-induced property modulation of chemical space. ACS combinatorial science (2020)
Space group: P 1 21/c 1
Cell volume: 1795.31
Cell parameters: 10.2675; 14.2614; 12.6118; 90; 103.552; 90;  

COD ID: 4517742
CIF file Formula: - C24 H21 N5 O2 -
Comments: Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander Scaffolding-induced property modulation of chemical space. ACS combinatorial science (2020)
Space group: P -1
Cell volume: 3027.57
Cell parameters: 6.375; 20.0436; 24.657; 100.604; 97.291; 98.132;  

COD ID: 4517743
CIF file Formula: - C58 H46 N10 O6 -
Comments: Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander Scaffolding-induced property modulation of chemical space. ACS combinatorial science (2020)
Space group: P 1 c 1
Cell volume: 2436.48
Cell parameters: 23.61; 8.2626; 12.5919; 90; 97.306; 90;  

COD ID: 4517744
CIF file Formula: - C23 H19 N5 O2 -
Comments: Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander Scaffolding-induced property modulation of chemical space. ACS combinatorial science (2020)
Space group: P b c a
Cell volume: 3994.1
Cell parameters: 8.3345; 12.5564; 38.1656; 90; 90; 90;  

COD ID: 4517745
CIF file Formula: - C18 H17 N5 O2 -
Comments: Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander Scaffolding-induced property modulation of chemical space. ACS combinatorial science (2020)
Space group: I 1 2/c 1
Cell volume: 3194.59
Cell parameters: 9.6089; 10.2089; 32.7406; 90; 95.922; 90;  

COD ID: 4517746
CIF file Formula: - C25 H23 N5 O3 -
Comments: Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander Scaffolding-induced property modulation of chemical space. ACS combinatorial science (2020)
Space group: P 1 21/c 1
Cell volume: 2226.63
Cell parameters: 11.3753; 17.4576; 11.6713; 90; 106.119; 90;  


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All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.