Crystallography Open Database

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1518687 CIFC63 H70 N4 O16P -111.12; 14.029; 20.02
108.726; 98.537; 94.981
2894.8Tominaga, Masahide; Kunitomi, Nobuto; Katagiri, Kosuke; Itoh, Tsutomu
Adamantane-based oxacyclophanes containing pyrazines: synthesis, crystal structure, and self-assembly behavior.
Organic letters, 2015, 17, 786-789
1518712 CIFC21 H28 O3P 21 21 216.0078; 15.1366; 20.0221
90; 90; 90
1820.76Parr, Brendan T.; Davies, Huw M. L.
Stereoselective synthesis of highly substituted cyclohexanes by a rhodium-carbene initiated domino sequence.
Organic letters, 2015, 17, 794-797
1518713 CIFC23 H27 F3 O3P 21 21 216.2097; 14.9142; 23.193
90; 90; 90
2147.97Parr, Brendan T.; Davies, Huw M. L.
Stereoselective synthesis of highly substituted cyclohexanes by a rhodium-carbene initiated domino sequence.
Organic letters, 2015, 17, 794-797
1518718 CIFC18 H26 O4 SiP b c a16.759; 7.4334; 30.141
90; 90; 90
3754.9Xu, Xinfang; Wang, Xiangbo; Zavalij, Peter Y.; Doyle, Michael P.
Straightforward Access to the [3.2.2]Nonatriene Structural Framework via Intramolecular Cyclopropenation/Buchner Reaction/Cope Rearrangement Cascade.
Organic letters, 2015, 17, 790-793
1518719 CIFC18 H26 O4 SiP -16.1239; 16.8945; 17.8873
91.468; 95.3024; 90.184
1842.1Xu, Xinfang; Wang, Xiangbo; Zavalij, Peter Y.; Doyle, Michael P.
Straightforward Access to the [3.2.2]Nonatriene Structural Framework via Intramolecular Cyclopropenation/Buchner Reaction/Cope Rearrangement Cascade.
Organic letters, 2015, 17, 790-793
1518723 CIFC32 H28 O4 SiP -17.0418; 10.4998; 17.4226
93.591; 96.204; 103.663
1239.21Pogula, Vedamayee D.; Wang, Tao; Hoye, Thomas R.
Intramolecular [4 + 2] Trapping of a Hexadehydro-Diels-Alder (HDDA) Benzyne by Tethered Arenes.
Organic letters, 2015, 17, 856-859
1518724 CIFC31 H28 O4 SiP 1 21/n 114.0146; 10.5314; 16.6752
90; 100.775; 90
2417.8Pogula, Vedamayee D.; Wang, Tao; Hoye, Thomas R.
Intramolecular [4 + 2] Trapping of a Hexadehydro-Diels-Alder (HDDA) Benzyne by Tethered Arenes.
Organic letters, 2015, 17, 856-859
1518725 CIFC18 H12 F N O3P 1 21/c 13.798; 11.416; 31.2
90; 90.82; 90
1353Qian, Jinlong; Yi, Wenbin; Huang, Xin; Miao, Yongbo; Zhang, Junkai; Cai, Chun; Zhang, Wei
One-pot synthesis of 3,5-disubstituted and polysubstituted phenols from acyclic precursors.
Organic letters, 2015, 17, 1090-1093
1518726 CIFC22 H16 F4 O3P -17.668; 11.45; 11.497
97.96; 98.584; 103.944
952.6Qian, Jinlong; Yi, Wenbin; Huang, Xin; Miao, Yongbo; Zhang, Junkai; Cai, Chun; Zhang, Wei
One-pot synthesis of 3,5-disubstituted and polysubstituted phenols from acyclic precursors.
Organic letters, 2015, 17, 1090-1093
1518747 CIFC14 H9 Cl N4 O2P -111.31; 13.792; 13.982
93.902; 90.56; 112.233
2012.7Chen, Yunfeng; Nie, Gang; Zhang, Qi; Ma, Shan; Li, Huan; Hu, Qinquan
Copper-Catalyzed [3 + 2] Cycloaddition/Oxidation Reactions between Nitro-olefins and Organic Azides: Highly Regioselective Synthesis of NO2-Substituted 1,2,3-Triazoles.
Organic letters, 2015, 17, 1118-1121
1518748 CIFC15 H11 Br N4 O2P b c a10.784; 9.6655; 28.858
90; 90; 90
3007.9Chen, Yunfeng; Nie, Gang; Zhang, Qi; Ma, Shan; Li, Huan; Hu, Qinquan
Copper-Catalyzed [3 + 2] Cycloaddition/Oxidation Reactions between Nitro-olefins and Organic Azides: Highly Regioselective Synthesis of NO2-Substituted 1,2,3-Triazoles.
Organic letters, 2015, 17, 1118-1121
1518770 CIFC20 H16 Cl4 N2P b c a11.2813; 14.1148; 24.5832
90; 90; 90
3914.5Zhan, Ming; Zhang, Shaoguang; Huang, Zhe; Xi, Zhenfeng
Synthesis of α,α,α',α'-Tetrachloro-Δ(1)-bipyrrolines and 4,8-Dichloro-2,6-diazasemibuvallenes.
Organic letters, 2015, 17, 1026-1029
1518771 CIFC18 H26 Cl2 N2P -19.3474; 9.8657; 12.3923
66.695; 69.579; 62.115
908.59Zhan, Ming; Zhang, Shaoguang; Huang, Zhe; Xi, Zhenfeng
Synthesis of α,α,α',α'-Tetrachloro-Δ(1)-bipyrrolines and 4,8-Dichloro-2,6-diazasemibuvallenes.
Organic letters, 2015, 17, 1026-1029
1518772 CIFC28 H23 Br Cl3 N O2P 21 21 219.6557; 10.7366; 25.0366
90; 90; 90
2595.53Saha, Satyajit; Schneider, Christoph
Directing Group Assisted Nucleophilic Substitution of Propargylic Alcohols via o-Quinone Methide Intermediates: Brønsted Acid Catalyzed, Highly Enantio- and Diastereoselective Synthesis of 7-Alkynyl-12a-acetamido-Substituted Benzoxanthenes.
Organic letters, 2015, 17, 648-651
1518773 CIFC26 H21 N O2 SP 21 21 217.3516; 9.5635; 29.4896
90; 90; 90
2073.33Saha, Satyajit; Schneider, Christoph
Directing Group Assisted Nucleophilic Substitution of Propargylic Alcohols via o-Quinone Methide Intermediates: Brønsted Acid Catalyzed, Highly Enantio- and Diastereoselective Synthesis of 7-Alkynyl-12a-acetamido-Substituted Benzoxanthenes.
Organic letters, 2015, 17, 648-651
1518783 CIFC23 H16 N2P 1 21/c 114.9264; 8.5389; 13.3223
90; 96.518; 90
1687.02Zhang, Wei; Wei, Jun; Fu, Shaomin; Lin, Dongen; Jiang, Huanfeng; Zeng, Wei
Highly Stereoselective Ruthenium(II)-Catalyzed Direct C2-syn-Alkenylation of Indoles with Alkynes.
Organic letters, 2015, 17, 1349-1352
1518820 CIFC23 H17 N OP 19.9575; 10.7208; 16.4862
91.531; 105.749; 104.208
1633.82Yang, Xiao-Fei; Hu, Xu-Hong; Loh, Teck-Peng
Expedient Synthesis of Pyrroloquinolinones by Rh-Catalyzed Annulation of N-Carbamoyl Indolines with Alkynes through a Directed C-H Functionalization/C-N Cleavage Sequence.
Organic letters, 2015, 17, 1481-1484
1518842 CIFC15 H13 F O2 SP 21 21 215.9536; 7.269; 31.978
90; 90; 90
1383.9Mao, Shuai; Gao, Ya-Ru; Zhu, Xue-Qing; Guo, Dong-Dong; Wang, Yong-Qiang
Copper-catalyzed radical reaction of N-tosylhydrazones: stereoselective synthesis of (e)-vinyl sulfones.
Organic letters, 2015, 17, 1692-1695
1518936 CIFC18 H24 F N O4 SP 1 21/c 19.8882; 17.552; 11.4151
90; 103.067; 90
1929.9Druzhenko, Tetiana; Denisenko, Olexandr; Kheylik, Yuri; Zozulya, Sergey; Shishkina, Svitlana S.; Tolmachev, Andrei; Mykhailiuk, Pavel K.
Design, Synthesis, and Characterization of SO2-Containing Azabicyclo[3.n.1]alkanes: Promising Building Blocks for Drug Discovery.
Organic letters, 2015, 17, 1922-1925
1518937 CIFC13 H15 N O4 SP -16.7205; 8.781; 11.3856
103.22; 104.242; 92.033
630.98Druzhenko, Tetiana; Denisenko, Olexandr; Kheylik, Yuri; Zozulya, Sergey; Shishkina, Svitlana S.; Tolmachev, Andrei; Mykhailiuk, Pavel K.
Design, Synthesis, and Characterization of SO2-Containing Azabicyclo[3.n.1]alkanes: Promising Building Blocks for Drug Discovery.
Organic letters, 2015, 17, 1922-1925
1518938 CIFC19 H28 N2 O4 SP -110.0063; 10.3287; 10.8385
65.843; 70.701; 84.706
963.4Druzhenko, Tetiana; Denisenko, Olexandr; Kheylik, Yuri; Zozulya, Sergey; Shishkina, Svitlana S.; Tolmachev, Andrei; Mykhailiuk, Pavel K.
Design, Synthesis, and Characterization of SO2-Containing Azabicyclo[3.n.1]alkanes: Promising Building Blocks for Drug Discovery.
Organic letters, 2015, 17, 1922-1925
1518939 CIFC15 H18 N2 SP 1 21/c 110.8363; 14.406; 9.9733
90; 117.4; 90
1382.2Druzhenko, Tetiana; Denisenko, Olexandr; Kheylik, Yuri; Zozulya, Sergey; Shishkina, Svitlana S.; Tolmachev, Andrei; Mykhailiuk, Pavel K.
Design, Synthesis, and Characterization of SO2-Containing Azabicyclo[3.n.1]alkanes: Promising Building Blocks for Drug Discovery.
Organic letters, 2015, 17, 1922-1925
1518940 CIFC15 H21 N O3 SP 1 21/c 17.3226; 10.563; 18.9019
90; 92.929; 90
1460.13Druzhenko, Tetiana; Denisenko, Olexandr; Kheylik, Yuri; Zozulya, Sergey; Shishkina, Svitlana S.; Tolmachev, Andrei; Mykhailiuk, Pavel K.
Design, Synthesis, and Characterization of SO2-Containing Azabicyclo[3.n.1]alkanes: Promising Building Blocks for Drug Discovery.
Organic letters, 2015, 17, 1922-1925
1518941 CIFC14 H19 N O3 SP b c a8.4818; 10.9461; 30.035
90; 90; 90
2788.5Druzhenko, Tetiana; Denisenko, Olexandr; Kheylik, Yuri; Zozulya, Sergey; Shishkina, Svitlana S.; Tolmachev, Andrei; Mykhailiuk, Pavel K.
Design, Synthesis, and Characterization of SO2-Containing Azabicyclo[3.n.1]alkanes: Promising Building Blocks for Drug Discovery.
Organic letters, 2015, 17, 1922-1925
1518989 CIFC19 H12 Cl2 N2P 1 21/c 112.7382; 11.0562; 12.4976
90; 112.701; 90
1623.76Tiwari, Virendra Kumar; Kamal, Neha; Kapur, Manmohan
Ruthenium-catalyzed heteroatom-directed regioselective C-h arylation of indoles using a removable tether.
Organic letters, 2015, 17, 1766-1769
1518990 CIFC17 H17 O P SiP c a 2114.4427; 6.5207; 16.6673
90; 90; 90
1569.67Xu, Youzhi; Wang, Zhihua; Gan, Zhenjie; Xi, Qiuzhen; Duan, Zheng; Mathey, François
Versatile synthesis of phospholides from open-chain precursors. Application to annelated pyrrole- and silole-phosphole rings.
Organic letters, 2015, 17, 1732-1734
1518991 CIFC21 H17 F O2 SP 1 21/n 112.402; 5.782; 24.377
90; 100.253; 90
1720.1Mao, Shuai; Gao, Ya-Ru; Zhu, Xue-Qing; Guo, Dong-Dong; Wang, Yong-Qiang
Copper-catalyzed radical reaction of N-tosylhydrazones: stereoselective synthesis of (e)-vinyl sulfones.
Organic letters, 2015, 17, 1692-1695
1518992 CIFC16 H16 O2 SP 21 21 215.7471; 8.0541; 31.351
90; 90; 90
1451.2Mao, Shuai; Gao, Ya-Ru; Zhu, Xue-Qing; Guo, Dong-Dong; Wang, Yong-Qiang
Copper-catalyzed radical reaction of N-tosylhydrazones: stereoselective synthesis of (e)-vinyl sulfones.
Organic letters, 2015, 17, 1692-1695
1518993 CIFC21 H18 O2 SP 1 21/n 112.3084; 5.8277; 24.345
90; 100.373; 90
1717.7Mao, Shuai; Gao, Ya-Ru; Zhu, Xue-Qing; Guo, Dong-Dong; Wang, Yong-Qiang
Copper-catalyzed radical reaction of N-tosylhydrazones: stereoselective synthesis of (e)-vinyl sulfones.
Organic letters, 2015, 17, 1692-1695
1518994 CIFC14 H17 N O3 SC 1 2/c 125.7457; 5.8011; 19.0494
90; 98.23; 90
2815.79Cheng, Cungui; Liu, Shuiyou; Zhu, Gangguo
Palladium-catalyzed cycloisomerization and aerobic oxidative cycloisomerization of homoallenyl amides: a facile and divergent approach to 2-aminofurans.
Organic letters, 2015, 17, 1581-1584
1518995 CIFC15 H21 N O4 SP b c n16.428; 13.329; 14.387
90; 90; 90
3150Zhu, Haitao; Chen, Pinhong; Liu, Guosheng
Palladium-catalyzed intramolecular aminoacetoxylation of unactivated alkenes with hydrogen peroxide as oxidant.
Organic letters, 2015, 17, 1485-1488
1518996 CIFC20 H20 N2 O3P 21 21 219.8991; 10.1513; 17.5003
90; 90; 90
1758.6Yetra, Santhivardhana Reddy; Mondal, Santigopal; Suresh, Eringathodi; Biju, Akkattu T.
Enantioselective Synthesis of Functionalized Pyrazoles by NHC-Catalyzed Reaction of Pyrazolones with α,β-Unsaturated Aldehydes.
Organic letters, 2015, 17, 1417-1420
1518997 CIFC11 H14 O3P n a 2114.5121; 5.9558; 24.1332
90; 90; 90
2085.9Qin, Yan; Zhang, Long; Lv, Jian; Luo, Sanzhong; Cheng, Jin-Pei
Bioinspired Organocatalytic Aerobic C-H Oxidation of Amines with an ortho-Quinone Catalyst.
Organic letters, 2015, 17, 1469-1472
1518998 CIFC16 H14 O2P 21 21 218.477; 8.5847; 17.547
90; 90; 90
1276.94Jiang, Liyin; Jia, Tao; Wang, Min; Liao, Jian; Cao, Peng
Pd-catalyzed enantioselective hydroalkoxylation of alkoxyallenes with phenol for construction of acyclic o,o-acetals.
Organic letters, 2015, 17, 1070-1073
1518999 CIFC17 H13 F O3 SP 1 21/n 19.2698; 11.0134; 15.0573
90; 105.111; 90
1484.08Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju
Bi(OTf)3-Mediated Cycloisomerization of γ-Alkynyl Arylketones: Application to the Synthesis of Substituted Furans.
Organic letters, 2015, 17, 1264-1267
1519496 CIFC22 H20 Br NP 16.134; 7.123; 10.777
102.328; 106.299; 90.659
440.2Zhang, Zhenhua; Du, Haifeng
Cis-selective and highly enantioselective hydrogenation of 2,3,4-trisubstituted quinolines.
Organic letters, 2015, 17, 2816-2819
1519622 CIFC22 H18 Cl N O3 PdP 1 21/c 119.306; 4.5687; 22.128
90; 103.674; 90
1896.4Ren, Zhi; Schulz, Jonathan E.; Dong, Guangbin
Catalytic Ortho-Acetoxylation of Masked Benzyl Alcohols via an Exo-Directing Mode.
Organic letters, 2015, 17, 2696-2699
1519623 CIFC15 H10 I N O2C 1 c 124.877; 7.087; 7.92
90; 90.593; 90
1396.2Huang, Hai; Zhu, Xiaolin; He, Guangke; Liu, Qi; Fan, Junzhen; Zhu, Hongjun
Controlled Synthesis of 1,3,5-Oxadiazin-2-ones and Oxazolones through Regioselective Iodocyclization of Ynamides.
Organic letters, 2015, 17, 2510-2513
1519625 CIFC32 H30 B NP 1 21/c 110.2671; 10.1236; 23.3329
90; 98.876; 90
2396.18Yang, Deng-Tao; Radtke, Julian; Mellerup, Soren K.; Yuan, Kang; Wang, Xiang; Wagner, Matthias; Wang, Suning
One-Pot Synthesis of Brightly Fluorescent Mes2B-Functionalized Indolizine Derivatives via Cycloaddition Reactions.
Organic letters, 2015, 17, 2486-2489
1519626 CIFC32 H32 B NP 1 21/c 110.0993; 10.2609; 23.8794
90; 97.3582; 90
2454.19Yang, Deng-Tao; Radtke, Julian; Mellerup, Soren K.; Yuan, Kang; Wang, Xiang; Wagner, Matthias; Wang, Suning
One-Pot Synthesis of Brightly Fluorescent Mes2B-Functionalized Indolizine Derivatives via Cycloaddition Reactions.
Organic letters, 2015, 17, 2486-2489
1519627 CIFC38 H34 B NP -18.8087; 11.1753; 16.1219
72.148; 78.052; 74.662
1443.04Yang, Deng-Tao; Radtke, Julian; Mellerup, Soren K.; Yuan, Kang; Wang, Xiang; Wagner, Matthias; Wang, Suning
One-Pot Synthesis of Brightly Fluorescent Mes2B-Functionalized Indolizine Derivatives via Cycloaddition Reactions.
Organic letters, 2015, 17, 2486-2489
1519628 CIFC102 H70 B4 O20C 1 2/c 130.624; 56.38; 22.177
90; 93.399; 90
38223Danjo, Hiroshi; Kidena, Yuki; Kawahata, Masatoshi; Sato, Hiroyasu; Katagiri, Kosuke; Miyazawa, Toshifumi; Yamaguchi, Kentaro
Multilayered inclusion nanocycles of anionic spiroborates.
Organic letters, 2015, 17, 2466-2469
1519629 CIFC21 H26 N2 O2 SP 1 21/c 17.3915; 13.779; 19.135
90; 93.863; 90
1944.4Kumar, Yalla Kiran; Kumar, Gadi Ranjith; Reddy, Thota Jagadeshwar; Sridhar, Balasubramanian; Reddy, Maddi Sridhar
Synthesis of 3-Sulfonylamino Quinolines from 1-(2-Aminophenyl) Propargyl Alcohols through a Ag(I)-Catalyzed Hydroamination, (2 + 3) Cycloaddition, and an Unusual Strain-Driven Ring Expansion.
Organic letters, 2015, 17, 2226-2229
1519630 CIFC16 H14 N2 O2 SP 1 21/c 111.225; 13.361; 11.0143
90; 118.102; 90
1457.2Kumar, Yalla Kiran; Kumar, Gadi Ranjith; Reddy, Thota Jagadeshwar; Sridhar, Balasubramanian; Reddy, Maddi Sridhar
Synthesis of 3-Sulfonylamino Quinolines from 1-(2-Aminophenyl) Propargyl Alcohols through a Ag(I)-Catalyzed Hydroamination, (2 + 3) Cycloaddition, and an Unusual Strain-Driven Ring Expansion.
Organic letters, 2015, 17, 2226-2229
1519631 CIFC17 H16 N2 O2 SP 1 21/c 18.9148; 16.7339; 10.5655
90; 95.855; 90
1567.93Kumar, Yalla Kiran; Kumar, Gadi Ranjith; Reddy, Thota Jagadeshwar; Sridhar, Balasubramanian; Reddy, Maddi Sridhar
Synthesis of 3-Sulfonylamino Quinolines from 1-(2-Aminophenyl) Propargyl Alcohols through a Ag(I)-Catalyzed Hydroamination, (2 + 3) Cycloaddition, and an Unusual Strain-Driven Ring Expansion.
Organic letters, 2015, 17, 2226-2229
1519651 CIFC14 H15 F3 O4 SP 1 21/n 15.4571; 34.89; 7.6271
90; 96.378; 90
1443.2Liu, Yafei; Shao, Xinxin; Zhang, Panpan; Lu, Long; Shen, Qilong
Trifluoromethyl-substituted sulfonium ylide: rh-catalyzed carbenoid addition to trifluoromethylthioether.
Organic letters, 2015, 17, 2752-2755
1519652 CIFC47 H59 N O5P n 21 a18.4589; 58.006; 11.59672
90; 90; 90
12416.9Slavík, Petr; Eigner, Václav; Lhoták, Pavel
Intramolecularly Bridged Calix[4]arenes with Pronounced Complexation Ability toward Neutral Compounds.
Organic letters, 2015, 17, 2788-2791
1519653 CIFC41 H46 O5C 1 2/c 134.9361; 10.48642; 26.842
90; 135.583; 90
6882.4Slavík, Petr; Eigner, Václav; Lhoták, Pavel
Intramolecularly Bridged Calix[4]arenes with Pronounced Complexation Ability toward Neutral Compounds.
Organic letters, 2015, 17, 2788-2791
1519654 CIFC48.5 H58 O6.5P 1 21 120.7243; 10.45113; 21.5504
90; 113.543; 90
4279.1Slavík, Petr; Eigner, Václav; Lhoták, Pavel
Intramolecularly Bridged Calix[4]arenes with Pronounced Complexation Ability toward Neutral Compounds.
Organic letters, 2015, 17, 2788-2791
1519655 CIFC20 H16 Br N O4C 1 c 114.0307; 8.5721; 15.203
90; 109.89; 90
1719.4Lin, Chao; Zhen, Le; Cheng, Yong; Du, Hong-Jin; Zhao, Hui; Wen, Xiaoan; Kong, Ling-Yi; Xu, Qing-Long; Sun, Hongbin
Visible-light induced isoindoles formation to trigger intermolecular diels-alder reactions in the presence of air.
Organic letters, 2015, 17, 2684-2687

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