Crystallography Open Database

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7153654 CIFC14 H14 Br2 Cl4P 1 21/c 114.7642; 7.4391; 14.5856
90; 91.061; 90
1601.7Olbrich, Martin; Mayer, Peter; Trauner, Dirk
A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.
Organic & biomolecular chemistry, 2014, 12, 108-112
7153655 CIFC14 H14 Br2 Cl4P 1 21/c 18.5158; 12.1809; 14.7928
90; 98.852; 90
1516.18Olbrich, Martin; Mayer, Peter; Trauner, Dirk
A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.
Organic & biomolecular chemistry, 2014, 12, 108-112
7153656 CIFC14 H18 Br2P 1 21/c 113.033; 7.7467; 12.4282
90; 101.998; 90
1227.37Olbrich, Martin; Mayer, Peter; Trauner, Dirk
A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.
Organic & biomolecular chemistry, 2014, 12, 108-112
7153657 CIFC14 H18 Br2P 1 21/c 114.3718; 6.4978; 12.7356
90; 94.731; 90
1185.26Olbrich, Martin; Mayer, Peter; Trauner, Dirk
A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.
Organic & biomolecular chemistry, 2014, 12, 108-112
7153658 CIFC41 H34 Co2 F2 N6 O12P -110.2431; 14.0654; 14.0892
93.793; 90.314; 93.311
2021.96Olbrich, Martin; Mayer, Peter; Trauner, Dirk
A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.
Organic & biomolecular chemistry, 2014, 12, 108-112
7153659 CIFC14 H14 Cl4P -17.0652; 8.2217; 13.0265
92.9; 90.127; 114.75
686.07Olbrich, Martin; Mayer, Peter; Trauner, Dirk
A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.
Organic & biomolecular chemistry, 2014, 12, 108-112
7153660 CIFC20 H20 Cl4P -17.0286; 8.7167; 15.6853
83.186; 87.4669; 66.254
873.4Olbrich, Martin; Mayer, Peter; Trauner, Dirk
A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.
Organic & biomolecular chemistry, 2014, 12, 108-112
7153661 CIFC8 H9 Br N2 O4P -17.3702; 7.6424; 9.3429
95.852; 105.352; 93.753
502.48Jiang, Jianbing; Vairaprakash, Pothiappan; Reddy, Kanumuri Ramesh; Sahin, Tuba; Pavan, M. Phani; Lubian, Elisa; Lindsey, Jonathan S.
Hydrophilic tetracarboxy bacteriochlorins for photonics applications.
Organic & biomolecular chemistry, 2014, 12, 86-103
7153662 CIFC13 H13 Br N2 O4 SP 21 21 219.5461; 9.6709; 15.4442
90; 90; 90
1425.8Jiang, Jianbing; Vairaprakash, Pothiappan; Reddy, Kanumuri Ramesh; Sahin, Tuba; Pavan, M. Phani; Lubian, Elisa; Lindsey, Jonathan S.
Hydrophilic tetracarboxy bacteriochlorins for photonics applications.
Organic & biomolecular chemistry, 2014, 12, 86-103
7153663 CIFC22 H26 F6 Fe N4 O6 S2P -19.5255; 10.2017; 15.6299
96.696; 95.281; 117.086
1324.84Yazerski, Vital A.; Spannring, Peter; Gatineau, David; Woerde, Charlotte H. M.; Wieclawska, Sara M.; Lutz, Martin; Kleijn, Henk; Klein Gebbink, Robertus J. M.
Making Fe(BPBP)-catalyzed C-H and C[double bond, length as m-dash]C oxidations more affordable.
Organic & biomolecular chemistry, 2014, 12, 2062-2070
7153664 CIFC44 H118 N12 O43 S6P -113.0481; 13.2273; 23.4746
102.934; 93.491; 100.629
3858.8Rhaman, Md Mhahabubur; Ahmed, Lucky; Wang, Jing; Powell, Douglas R.; Leszczynski, Jerzy; Hossain, Md Alamgir
Encapsulation and selectivity of sulfate with a furan-based hexaazamacrocyclic receptor in water.
Organic & biomolecular chemistry, 2014, 12, 2045-2048
7153665 CIFC6 H7 Cl2 I O3 SP 21 21 215.9357; 8.96; 20.683
90; 90; 90
1100Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J.
Reactions of enantiopure cyclic diols with sulfuryl chloride.
Organic & biomolecular chemistry, 2014, 12, 2128-2136
7153666 CIFC10 H10 Cl2P 1 21 17.4192; 7.6708; 8.1477
90; 101.304; 90
454.7Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J.
Reactions of enantiopure cyclic diols with sulfuryl chloride.
Organic & biomolecular chemistry, 2014, 12, 2128-2136
7153667 CIFC6 H7 Cl O4 SP 21 21 216.6774; 10.9657; 11.0176
90; 90; 90
806.73Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J.
Reactions of enantiopure cyclic diols with sulfuryl chloride.
Organic & biomolecular chemistry, 2014, 12, 2128-2136
7153668 CIFC15 H15 N3P 1 21/c 125.257; 7.226; 14.807
90; 106.999; 90
2584Zhang, Xinying; Song, Yunping; Gao, Lin; Guo, Xiaojie; Fan, Xuesen
Highly facile and regio-selective synthesis of pyrazolo[1,5-a]pyrimidines via reactions of 1,2-allenic ketones with aminopyrazoles.
Organic & biomolecular chemistry, 2014, 12, 2099-2107
7153669 CIFC15 H15 N3P 1 21/n 15.784; 16.411; 13.211
90; 92.703; 90
1252.6Zhang, Xinying; Song, Yunping; Gao, Lin; Guo, Xiaojie; Fan, Xuesen
Highly facile and regio-selective synthesis of pyrazolo[1,5-a]pyrimidines via reactions of 1,2-allenic ketones with aminopyrazoles.
Organic & biomolecular chemistry, 2014, 12, 2099-2107
7153670 CIFC13 H14 Br2 OP -112.698; 15.704; 15.785
108.667; 96.252; 111.779
2675Yang, Dingqiao; Liang, Ni
Platinum-catalyzed anti-stereocontrolled ring-opening of oxabicyclic alkenes with Grignard reagents.
Organic & biomolecular chemistry, 2014, 12, 2080-2086
7153671 CIFC16 H17 F3 N4 O S2P 21 21 2110.499; 11.042; 16.3
90; 90; 90
1890Mei, Haibo; Xiong, Yiwen; Xie, Chen; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi
Concise and scalable asymmetric synthesis of 5-(1-amino-2,2,2-trifluoroethyl)thiazolo[3,2-b][1,2,4]triazoles.
Organic & biomolecular chemistry, 2014, 12, 2108-2113
7153672 CIFC22 H20 N2P 1 21/c 15.8798; 10.8995; 26.8261
90; 95.626; 90
1710.92Wang, Xu; Pan, Ying-Ming; Huang, Xiao-Chao; Mao, Zhong-Yuan; Wang, Heng-Shan
A novel methodology for synthesis of dihydropyrazole derivatives as potential anticancer agents.
Organic & biomolecular chemistry, 2014, 12, 2028-2032
7153673 CIFC20 H24 N4 O6 SiP -16.2718; 18.621; 19.391
82.717; 84.77; 86.359
2233.9Roy, Arundhati; Datar, Avdhoot; Kand, Dnyaneshwar; Saha, Tanmoy; Talukdar, Pinaki
A fluorescent off-on NBD-probe for F(-) sensing: theoretical validation and experimental studies.
Organic & biomolecular chemistry, 2014, 12, 2143-2149
7153674 CIFC50 H94.28 Cl4 N20 O25.14P 1 21 113.7177; 27.048; 18.9817
90; 92.5526; 90
7035.9Zhang, Ben; Zavalij, Peter Y.; Isaacs, Lyle
Acyclic CB[n]-type molecular containers: effect of solubilizing group on their function as solubilizing excipients.
Organic & biomolecular chemistry, 2014, 12, 2413-2422
7153675 CIFC100 H155 N32 O49.5P 1 21/n 129.339; 13.8631; 29.715
90; 99.2288; 90
11930Zhang, Ben; Zavalij, Peter Y.; Isaacs, Lyle
Acyclic CB[n]-type molecular containers: effect of solubilizing group on their function as solubilizing excipients.
Organic & biomolecular chemistry, 2014, 12, 2413-2422
7153676 CIFC18 H9 F6 N3P 1 21/c 114.868; 9.506; 11.977
90; 111.598; 90
1573.9Huang, Shengdian; Qing, Jie; Wang, Shuo; Wang, Huan; Zhang, Linqi; Tang, Yefeng
Design and synthesis of imidazo[1,2-α][1,8]naphthyridine derivatives as anti-HCV agents via direct C-H arylation.
Organic & biomolecular chemistry, 2014, 12, 2344-2348
7153677 CIFC29 H33 N3 OP b c a13.8234; 14.4667; 24.486
90; 90; 90
4896.7Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Antonov, Alexander S.; Filarowski, Alexander
Out-Basicity of 1,8-bis(dimethylamino)naphthalene: the experimental and theoretical challenge.
Organic & biomolecular chemistry, 2014, 12, 2360-2369
7153678 CIFC29 H34 Cl N3 O5P 1 21/c 121.585; 7.8022; 15.6198
90; 95.68; 90
2617.6Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Antonov, Alexander S.; Filarowski, Alexander
Out-Basicity of 1,8-bis(dimethylamino)naphthalene: the experimental and theoretical challenge.
Organic & biomolecular chemistry, 2014, 12, 2360-2369
7153679 CIFC16 H19 B F4 N2P 1 21/c 112.8809; 8.8823; 13.1761
90; 97.955; 90
1493Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Antonov, Alexander S.; Filarowski, Alexander
Out-Basicity of 1,8-bis(dimethylamino)naphthalene: the experimental and theoretical challenge.
Organic & biomolecular chemistry, 2014, 12, 2360-2369
7153680 CIFC17 H16 Cl N O4P -17.7069; 10.4968; 11.1874
93.206; 102.273; 104.014
852.5Xin, Xiaoqing; Zhang, Qian; Liang, Yongjiu; Zhang, Rui; Dong, Dewen
Tandem halogenation/Michael-initiated ring-closing reaction of α,β-unsaturated nitriles and activated methylene compounds: one-pot diastereoselective synthesis of functionalized cyclopropanes.
Organic & biomolecular chemistry, 2014, 12, 2427-2435
7153681 CIFC24 H15 N3 O2P 1 21/c 112.7311; 15.7373; 9.2462
90; 104.025; 90
1797.3Hung, Tran Quang; Thang, Ngo Ngoc; Hoang, Do Huy; Dang, Tuan Thanh; Villinger, Alexander; Langer, Peter
Efficient synthesis of biscarbazoles by palladium-catalyzed twofold C-N coupling and C-H activation reactions.
Organic & biomolecular chemistry, 2014, 12, 2596-2605
7153682 CIFC25 H18 N2 OP 1 21/c 112.6024; 7.6803; 19.048
90; 102.443; 90
1800.35Hung, Tran Quang; Thang, Ngo Ngoc; Hoang, Do Huy; Dang, Tuan Thanh; Villinger, Alexander; Langer, Peter
Efficient synthesis of biscarbazoles by palladium-catalyzed twofold C-N coupling and C-H activation reactions.
Organic & biomolecular chemistry, 2014, 12, 2596-2605
7153683 CIFC27 H23 F N2P 1 21/c 110.764; 12.052; 17.532
90; 107.151; 90
2173.2Li, Jian; Wang, Hongni; Sun, Jiangtao; Yang, Yang; Liu, Li
Mild gold-catalyzed three-component dehydrogenative coupling of terminal alkynes to amines and indole-2-carboxaldehyde.
Organic & biomolecular chemistry, 2014, 12, 2523-2527
7153684 CIFC23 H31 N O3 SiP 1 21/c 112.368; 13.474; 13.097
90; 102.866; 90
2128Dulla, Balakrishna; Tangellamudi, Neelima D.; Balasubramanian, Sridhar; Yellanki, Swapna; Medishetti, Raghavender; Kumar Banote, Rakesh; Hari Chaudhari, Girish; Kulkarni, Pushkar; Iqbal, Javed; Reiser, Oliver; Pal, Manojit
Isovanillin derived N-(un)substituted hydroxylamines possessing an ortho-allylic group: valuable precursors to bioactive N-heterocycles.
Organic & biomolecular chemistry, 2014, 12, 2552-2558
7153685 CIFC17 H12 F N O2P 1 21/c 111.395; 7.21; 17.653
90; 110.39; 90
1359.5Ding, Dong; Liu, Gang; Xu, Guangyang; Li, Jian; Wang, Guoping; Sun, Jiangtao
Palladium catalyzed N-H bond insertion and intramolecular cyclization cascade: the divergent synthesis of heterocyclics.
Organic & biomolecular chemistry, 2014, 12, 2533-2537
7153686 CIFC17 H18 N2 OP 1 21/c 113.7868; 9.5016; 10.9971
90; 104.522; 90
1394.56Wu, Xiao-Feng; Oschatz, Stefan; Block, Axel; Spannenberg, Anke; Langer, Peter
Base mediated synthesis of 2-aryl-2,3-dihydroquinazolin-4(1H)-ones from 2-aminobenzonitriles and aromatic aldehydes in water.
Organic & biomolecular chemistry, 2014, 12, 1865-1870
7153687 CIFC15 H13 Cl2 N3 O3 SP -17.9294; 12.763; 16.761
96.664; 99.981; 97.378
1640.1Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A.
Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists.
Organic & biomolecular chemistry, 2014, 12, 1779-1792
7153688 CIFC18 H14 Cl3 N3 O4 SP 1 21/n 19.0361; 20.725; 21.381
90; 96.612; 90
3977.5Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A.
Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists.
Organic & biomolecular chemistry, 2014, 12, 1779-1792
7153689 CIFC15 H11 Cl2 N3 O2 SP 1 21/n 17.5758; 8.7573; 23.065
90; 91.905; 90
1529.4Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A.
Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists.
Organic & biomolecular chemistry, 2014, 12, 1779-1792
7153690 CIFC13 H9 Cl2 N5 O2 SP -17.439; 8.477; 13.0579
88.763; 84.177; 64.88
741.5Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A.
Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists.
Organic & biomolecular chemistry, 2014, 12, 1779-1792
7153691 CIFC15 H26 O3 SP 15.29; 6.432; 12.429
86.64; 88.36; 65.8
385.068Carroccia, Laura; Degennaro, Leonardo; Romanazzi, Giuseppe; Cuocci, Corrado; Pisano, Luisa; Luisi, Renzo
Straightforward access to 4-membered sulfurated heterocycles: introducing a strategy for the single and double functionalization of thietane 1-oxide.
Organic & biomolecular chemistry, 2014, 12, 2180-2184
7153692 CIFC16 H16 O2 SP 1 21/a 111.471; 7.889; 15.246
90; 93.54; 90
1377.05Carroccia, Laura; Degennaro, Leonardo; Romanazzi, Giuseppe; Cuocci, Corrado; Pisano, Luisa; Luisi, Renzo
Straightforward access to 4-membered sulfurated heterocycles: introducing a strategy for the single and double functionalization of thietane 1-oxide.
Organic & biomolecular chemistry, 2014, 12, 2180-2184
7153693 CIFC21 H14 Br N OP -17.3715; 9.3781; 12.8371
96.36; 99.202; 111.905
798.57Yadav, Pratik; Singh, Surjeet; Sahu, Satya Narayan; Hussain, Firasat; Pratap, Ramendra
Microwave assisted base dependent regioselective synthesis of partially reduced chromenes, isochromenes and phenanthrenes.
Organic & biomolecular chemistry, 2014, 12, 2228-2234
7153694 CIFC19 H16 N2 SP 1 21 111.0704; 22.732; 13.049
90; 104.428; 90
3180.2Liu, Ge; Kong, Lichun; Shen, Ji; Zhu, Gangguo
A regio- and stereoselective entry to (Z)-β-halo alkenyl sulfides and their applications to access stereodefined trisubstituted alkenes.
Organic & biomolecular chemistry, 2014, 12, 2310-2321
7153695 CIFC18 H20 Cl3 N O3P 21 21 216.4986; 7.2522; 40.288
90; 90; 90
1898.7Jia, Wen-Qiang; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song
Organocatalytic [4 + 2] cyclocondensation of α,β-unsaturated acyl chlorides with imines: highly enantioselective synthesis of dihydropyridinone and piperidine derivatives.
Organic & biomolecular chemistry, 2014, 12, 2167-2171
7153696 CIFC22 H23 N O6 SP 21 21 215.8326; 8.921; 40.497
90; 90; 90
2107.2Jia, Wen-Qiang; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song
Organocatalytic [4 + 2] cyclocondensation of α,β-unsaturated acyl chlorides with imines: highly enantioselective synthesis of dihydropyridinone and piperidine derivatives.
Organic & biomolecular chemistry, 2014, 12, 2167-2171
7153697 CIFC12 H12 Cl3 N OP 21 21 219.4908; 11.747; 23.965
90; 90; 90
2671.8Jia, Wen-Qiang; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song
Organocatalytic [4 + 2] cyclocondensation of α,β-unsaturated acyl chlorides with imines: highly enantioselective synthesis of dihydropyridinone and piperidine derivatives.
Organic & biomolecular chemistry, 2014, 12, 2167-2171
7153698 CIFC15 H20 O4P 1 21 17.1858; 21.2747; 8.7923
90; 97.085; 90
1333.87Górecki, Marcin; Suszczyńska, Agata; Woźnica, Magdalena; Baj, Aneta; Wolniak, Michał; Cyrański, Michał K; Witkowski, Stanisław; Frelek, Jadwiga
Chromane helicity rule - scope and challenges based on an ECD study of various trolox derivatives.
Organic & biomolecular chemistry, 2014, 12, 2235-2254
7153699 CIFC79 H93.5 F12 N4.5 O16 P2P -117.928; 21.795; 26.597
68.93; 79.43; 73.05
9240Gu, Ya-Kun; Zeng, Fei; Meng, Zheng; Chen, Chuan-Feng
Triptycene-derived macrotricyclic polyether containing an anthracene unit as a powerful host for 1,2-bis(pyridium)ethane, diquat and 2,7-diazapyrenium salt.
Organic & biomolecular chemistry, 2014, 12, 2850-2853
7153700 CIFC74 H83 F12 N2 O16 P2C 1 2/c 133.928; 26.606; 41.298
90; 112.64; 90
34407Gu, Ya-Kun; Zeng, Fei; Meng, Zheng; Chen, Chuan-Feng
Triptycene-derived macrotricyclic polyether containing an anthracene unit as a powerful host for 1,2-bis(pyridium)ethane, diquat and 2,7-diazapyrenium salt.
Organic & biomolecular chemistry, 2014, 12, 2850-2853
7153701 CIFC86 H102 F12 N4 O17 P2P -112.547; 16.146; 21.955
109.304; 91.346; 91.789
4192.9Gu, Ya-Kun; Zeng, Fei; Meng, Zheng; Chen, Chuan-Feng
Triptycene-derived macrotricyclic polyether containing an anthracene unit as a powerful host for 1,2-bis(pyridium)ethane, diquat and 2,7-diazapyrenium salt.
Organic & biomolecular chemistry, 2014, 12, 2850-2853
7153702 CIFC9 H11 Cl O3P 1 21/n 15.2268; 8.9268; 19.809
90; 92.227; 90
923.56Yin, Zhiwei; Zhang, Jinzhu; Wu, Jing; Green, Riana; Li, Sihan; Zheng, Shengping
Synthesis of o-chlorophenols via an unexpected nucleophilic chlorination of quinone monoketals mediated by N,N'-dimethylhydrazine dihydrochloride.
Organic & biomolecular chemistry, 2014, 12, 2854-2858
7153703 CIFC8 H9 Cl O3P 1 21/c 120.214; 10.0193; 8.196
90; 95.8337; 90
1651.3Yin, Zhiwei; Zhang, Jinzhu; Wu, Jing; Green, Riana; Li, Sihan; Zheng, Shengping
Synthesis of o-chlorophenols via an unexpected nucleophilic chlorination of quinone monoketals mediated by N,N'-dimethylhydrazine dihydrochloride.
Organic & biomolecular chemistry, 2014, 12, 2854-2858

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