Crystallography Open Database

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1513772 CIFC37 H30 Au2 F2 P2C 1 2/c 116.1721; 10.6985; 18.0543
90; 98.385; 90
3090.3Wolf, William J.; Winston, Matthew S.; Toste, F. Dean
Exceptionally fast carbon-carbon bond reductive elimination from gold(III).
Nature chemistry, 2014, 6, 159-164
1513773 CIFC22 H31 Cl N2 O3 SP 1 21/n 113.442; 8.1038; 20.1572
90; 104.261; 90
2128.08McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513774 CIFC16 H27 N O2P n a 2120.4107; 8.6349; 16.7557
90; 90; 90
2953.1McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513775 CIFC16 H25 N O2P 1 21/n 19.7778; 8.0904; 18.01
90; 94.851; 90
1419.6McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513776 CIFC14 H23 N O3P -17.867; 9.1892; 10.2943
110.964; 109.591; 90.081
648.44McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513777 CIFC19 H26 N2 O3P 21 21 217.238; 11.592; 20.28
90; 90; 90
1701.6McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513778 CIFC18 H20 Br N O3P 1 21/n 19.717; 7.555; 23.041
90; 99.168; 90
1669.9McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513779 CIFC20 H26 Br N O4P 1 21/c 115.7732; 8.3002; 15.3015
90; 111.867; 90
1859.15McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513780 CIFC22 H31 Br N2 O2P 1 21/c 112.5683; 17.2; 9.5705
90; 91.062; 90
2068.55McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513781 CIFC20 H25 N O2P -18.1628; 11.2261; 18.4027
90.626; 100.074; 93.553
1656.76McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513782 CIFC20 H27 N O2P -18.5052; 15.5856; 19.9392
101.084; 100.283; 90.24
2550.12McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513783 CIFC20 H27 N3 O5 SP -19.3311; 10.7524; 10.8992
116.238; 94.799; 96.792
962.57McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513784 CIFC14 H23 N O2P 1 21/n 18.6602; 11.241; 12.9622
90; 94.253; 90
1258.39McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey
Probing chemical space with alkaloid-inspired libraries.
Nature chemistry, 2014, 6, 133-140
1513785 CIFC21 H22 N2 O2P 1 2/n 18.3047; 7.7059; 25.706
90; 98.62; 90
1626.5Mizoguchi, Haruki; Oikawa, Hideaki; Oguri, Hiroki
Biogenetically inspired synthesis and skeletal diversification of indole alkaloids.
Nature chemistry, 2014, 6, 57-64
1513786 CIFC25 H24 N2 O2P 1 21/c 18.3426; 8.7981; 27.0612
90; 94.54; 90
1980.03Mizoguchi, Haruki; Oikawa, Hideaki; Oguri, Hiroki
Biogenetically inspired synthesis and skeletal diversification of indole alkaloids.
Nature chemistry, 2014, 6, 57-64
1513787 CIFC23 H23 N3 O6 SP 1 21 111.0525; 27.518; 11.4121
90; 94.477; 90
3460.3Ohmatsu, Kohsuke; Imagawa, Naomichi; Ooi, Takashi
Ligand-enabled multiple absolute stereocontrol in metal-catalysed cycloaddition for construction of contiguous all-carbon quaternary stereocentres.
Nature chemistry, 2014, 6, 47-51
1513788 CIFC28 H25 N3 O6 SP 21 21 217.704; 12.588; 26.614
90; 90; 90
2581Ohmatsu, Kohsuke; Imagawa, Naomichi; Ooi, Takashi
Ligand-enabled multiple absolute stereocontrol in metal-catalysed cycloaddition for construction of contiguous all-carbon quaternary stereocentres.
Nature chemistry, 2014, 6, 47-51
1513789 CIFC22 H23 N3 O8 SP 21 21 2110.901; 11.15; 18.652
90; 90; 90
2267.1Ohmatsu, Kohsuke; Imagawa, Naomichi; Ooi, Takashi
Ligand-enabled multiple absolute stereocontrol in metal-catalysed cycloaddition for construction of contiguous all-carbon quaternary stereocentres.
Nature chemistry, 2014, 6, 47-51
1513790 CIFC17 H16 F6 N3 P RuP c a 2111.1674; 10.4372; 16.4146
90; 90; 90
1913.23Li, Le; Herzon, Seth B.
Temporal separation of catalytic activities allows anti-Markovnikov reductive functionalization of terminal alkynes.
Nature chemistry, 2014, 6, 22-27
1513791 CIFC70 H66 Cl6 O4 Os P3 SP 1 21/c 123.9712; 10.7966; 25.4621
90; 95.78; 90
6556.3Zhu, Congqing; Luo, Ming; Zhu, Qin; Zhu, Jun; Schleyer, Paul V. R.; Wu, Judy I-Chia; Lu, Xin; Xia, Haiping
Planar Möbius aromatic pentalenes incorporating 16 and 18 valence electron osmiums.
Nature communications, 2014, 5, 3265
1513792 CIFC64.5 H57 Al2 Cl12 O3 Os P3P 1 21/n 118.4337; 19.2879; 20.2958
90; 97.813; 90
7149.1Zhu, Congqing; Luo, Ming; Zhu, Qin; Zhu, Jun; Schleyer, Paul V. R.; Wu, Judy I-Chia; Lu, Xin; Xia, Haiping
Planar Möbius aromatic pentalenes incorporating 16 and 18 valence electron osmiums.
Nature communications, 2014, 5, 3265
1513793 CIFC66 H58 Cl3 O5 Os P3P 1 21/c 112.6439; 21.0196; 21.9093
90; 96.0021; 90
5790.91Zhu, Congqing; Luo, Ming; Zhu, Qin; Zhu, Jun; Schleyer, Paul V. R.; Wu, Judy I-Chia; Lu, Xin; Xia, Haiping
Planar Möbius aromatic pentalenes incorporating 16 and 18 valence electron osmiums.
Nature communications, 2014, 5, 3265
1513794 CIFC21 H29 F5 Si3P b c a11.6307; 12.5277; 33.4761
90; 90; 90
4877.7Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira
A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.
Nature communications, 2014, 5, 3018
1513795 CIFC21 H31 F5 Si3P b c a11.6585; 12.5084; 33.328
90; 90; 90
4860.2Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira
A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.
Nature communications, 2014, 5, 3018
1513796 CIFC21 H29 F5 Si3P c a 2119.1914; 10.6017; 23.3513
90; 90; 90
4751.1Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira
A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.
Nature communications, 2014, 5, 3018
1513797 CIFC25 H33 F5 Si3P -19.6564; 11.3871; 12.9349
72.1; 81.25; 79.77
1324.69Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira
A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.
Nature communications, 2014, 5, 3018
1513798 CIFC11 H15 N5 O7P 1 21 15.6548; 27.587; 8.526
90; 95.291; 90
1324.4Zhao, Hang; Guo, Xiurong; He, Shiliang; Zeng, Xin; Zhou, Xinglong; Zhang, Chaoliang; Hu, Jing; Wu, Xiaohua; Xing, Zhihua; Chu, Liangyin; He, Yang; Chen, Qianming
Complex self-assembly of pyrimido[4,5-d]pyrimidine nucleoside supramolecular structures.
Nature communications, 2014, 5, 3108
1513799 CIFC11 H13 N5 O5P 14.9116; 8.8528; 13.96
105.332; 93.529; 91.847
583.54Zhao, Hang; Guo, Xiurong; He, Shiliang; Zeng, Xin; Zhou, Xinglong; Zhang, Chaoliang; Hu, Jing; Wu, Xiaohua; Xing, Zhihua; Chu, Liangyin; He, Yang; Chen, Qianming
Complex self-assembly of pyrimido[4,5-d]pyrimidine nucleoside supramolecular structures.
Nature communications, 2014, 5, 3108
1513800 CIFC20 H18 N2 O4P 1 21/n 117.9227; 5.0106; 20.9309
90; 114.168; 90
1714.9Li, Zhanxian; Liu, Xingjiang; Zhao, Wanying; Wang, Sheng; Zhou, Wan; Wei, Liuhe; Yu, Mingming
Naked-eye detection of c1-c4 alcohols based on ground-state intramolecular proton transfer.
Analytical chemistry, 2014, 86, 2521-2525
1513801 CIFC21 H22 Cl N5 O2P 21 21 219.6767; 13.3568; 14.8222
90; 90; 90
1915.8Xu, Renbo; Xia, Rui; Luo, Ming; Xu, Xiaoyong; Cheng, Jiagao; Shao, Xusheng; Li, Zhong
Design, Synthesis, Crystal Structures, and Insecticidal Activities of Eight-Membered Azabridge Neonicotinoid Analogues.
Journal of agricultural and food chemistry, 2014, 62, 381
1513802 CIFC36 H46 Cl N5 O6 SC 1 2 128.087; 11.9998; 10.9846
90; 90.761; 90
3701.9Gentles, Robert G.; Ding, Min; Bender, John A.; Bergstrom, Carl P.; Grant-Young, Katharine; Hewawasam, Piyasena; Hudyma, Thomas; Martin, Scott; Nickel, Andrew; Regueiro-Ren, Alicia; Tu, Yong; Yang, Zhong; Yeung, Kap-Sun; Zheng, Xiaofan; Chao, Sam; Sun, Jung-Hui; Beno, Brett R.; Camac, Daniel M.; Chang, Chong-Hwan; Gao, Mian; Morin, Paul E.; Sheriff, Steven; Tredup, Jeff; Wan, John; Witmer, Mark R.; Xie, Dianlin; Hanumegowda, Umesh; Knipe, Jay; Mosure, Kathy; Santone, Kenneth S.; Parker, Dawn D.; Zhuo, Xiaoliang; Lemm, Julie; Liu, Mengping; Pelosi, Lenore; Rigat, Karen; Voss, Stacey; Wang, Yi; Wang, Ying-Kai; Colonno, Richard J.; Gao, Min; Roberts, Susan B.; Gao, Qi; Ng, Alicia; Meanwell, Nicholas A.; Kadow, John F.
Discovery and Preclinical Characterization of the Cyclopropylindolobenzazepine BMS-791325, A Potent Allosteric Inhibitor of the Hepatitis C Virus NS5B Polymerase.
Journal of medicinal chemistry, 2014, 57, 1855-1879
1513803 CIFC64 H68 N4 O37.63 S4P 1 21 114.115; 18.546; 28.97
90; 102.032; 90
7417Zhang, Ying-Ming; Wang, Ze; Chen, Ling; Song, Hai-Bin; Liu, Yu
Thermodynamics and Structures of Complexation between Tetrasulfonated 1,5-Dinaphtho-38-crown-10 and Diquaternary Salts in Aqueous Solution.
The journal of physical chemistry. B, 2014, 118, 2433-2441
1513804 CIFC68 H84.5 N4 O30.25 S4P -18.3143; 14.653; 30.316
77.39; 89.28; 87.12
3599.7Zhang, Ying-Ming; Wang, Ze; Chen, Ling; Song, Hai-Bin; Liu, Yu
Thermodynamics and Structures of Complexation between Tetrasulfonated 1,5-Dinaphtho-38-crown-10 and Diquaternary Salts in Aqueous Solution.
The journal of physical chemistry. B, 2014, 118, 2433-2441
1513805 CIFC64 H90 N4 O34 S4P n a 2131.15; 16.287; 14.681
90; 90; 90
7448Zhang, Ying-Ming; Wang, Ze; Chen, Ling; Song, Hai-Bin; Liu, Yu
Thermodynamics and Structures of Complexation between Tetrasulfonated 1,5-Dinaphtho-38-crown-10 and Diquaternary Salts in Aqueous Solution.
The journal of physical chemistry. B, 2014, 118, 2433-2441
1513806 CIFC8 H24 O12 Si8R -3 :H12.4443; 12.4443; 13.0384
90; 90; 120
1748.62Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.
Structure and Dynamics of Octamethyl-POSS Nanoparticles
The Journal of Physical Chemistry C, 2014, 118, 5579
1513807 CIFC8 H24 O12 Si8R -3 :H12.3948; 12.3948; 12.8871
90; 90; 120
1714.61Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.
Structure and Dynamics of Octamethyl-POSS Nanoparticles
The Journal of Physical Chemistry C, 2014, 118, 5579
1513808 CIFC8 H24 O12 Si8R -3 :H12.4109; 12.4109; 12.99059
90; 90; 120
1732.87Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.
Structure and Dynamics of Octamethyl-POSS Nanoparticles
The Journal of Physical Chemistry C, 2014, 118, 5579
1513809 CIFC8 H24 O12 Si8R -3 :H12.3959; 12.3959; 12.9208
90; 90; 120
1719.4Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.
Structure and Dynamics of Octamethyl-POSS Nanoparticles
The Journal of Physical Chemistry C, 2014, 118, 5579
1513810 CIFC8 H24 O12 Si8R -3 :H12.5077; 12.5077; 13.0995
90; 90; 120
1774.76Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.
Structure and Dynamics of Octamethyl-POSS Nanoparticles
The Journal of Physical Chemistry C, 2014, 118, 5579
1513811 CIFC15 H20 F N O2 SP 1 21/c 117.462; 6.347; 13.727
90; 110.83; 90
1421.9Cui, Jian; Jia, Qun; Feng, Ruo-Zhu; Liu, Shan-Shan; He, Tian; Zhang, Chi
Boron trifluoride etherate functioning as a fluorine source in an iodosobenzene-mediated intramolecular aminofluorination of homoallylic amines.
Organic letters, 2014, 16, 1442-1445
1513812 CIFC18 H17 F4 N O2 SP b c a10.3289; 12.271; 27.811
90; 90; 90
3524.9Cui, Jian; Jia, Qun; Feng, Ruo-Zhu; Liu, Shan-Shan; He, Tian; Zhang, Chi
Boron trifluoride etherate functioning as a fluorine source in an iodosobenzene-mediated intramolecular aminofluorination of homoallylic amines.
Organic letters, 2014, 16, 1442-1445
1513813 CIFC15 H22 F N O2 SP 1 21/n 16.189; 12.134; 19.64
90; 94.544; 90
1470.3Cui, Jian; Jia, Qun; Feng, Ruo-Zhu; Liu, Shan-Shan; He, Tian; Zhang, Chi
Boron trifluoride etherate functioning as a fluorine source in an iodosobenzene-mediated intramolecular aminofluorination of homoallylic amines.
Organic letters, 2014, 16, 1442-1445
1513814 CIFC17 H18 F N O2 SP 1 c 16.1325; 7.0271; 34.947
90; 90.605; 90
1505.9Cui, Jian; Jia, Qun; Feng, Ruo-Zhu; Liu, Shan-Shan; He, Tian; Zhang, Chi
Boron trifluoride etherate functioning as a fluorine source in an iodosobenzene-mediated intramolecular aminofluorination of homoallylic amines.
Organic letters, 2014, 16, 1442-1445
1513815 CIFC15 H22 F N O2 SP 1 21/n 16.28; 19.188; 12.903
90; 96.84; 90
1543.8Cui, Jian; Jia, Qun; Feng, Ruo-Zhu; Liu, Shan-Shan; He, Tian; Zhang, Chi
Boron trifluoride etherate functioning as a fluorine source in an iodosobenzene-mediated intramolecular aminofluorination of homoallylic amines.
Organic letters, 2014, 16, 1442-1445
1513816 CIFC20 H20 Cl F3 N2 O5P 2 21 217.6488; 16.8386; 17.921
90; 90; 90
2308.1Chen, Qiao; Wang, Guoqiang; Jiang, Xianxing; Xu, Zhaoqing; Lin, Li; Wang, Rui
Highly enantioselective organocatalyzed vinylogous Michael-type reaction for the construction of trifluoromethylated all-carbon quaternary stereocenters.
Organic letters, 2014, 16, 1394-1397
1513817 CIFC21 H16 B F4 N3P -113.1171; 13.503; 22.5774
95.97; 100.719; 115.78
3459.9Alawode, Olajide E.; Naganaboina, Vijaya Kumar; Liyanage, Thakshila; Desper, John; Rayat, Sundeep
One-pot cascade approach to phenanthridine-fused quinazoliniminiums from heteroenyne-allenes.
Organic letters, 2014, 16, 1494-1497
1513818 CIFC20 H14 B F4 N3P 1 21/n 111.0318; 6.8167; 21.8563
90; 94.287; 90
1639.01Alawode, Olajide E.; Naganaboina, Vijaya Kumar; Liyanage, Thakshila; Desper, John; Rayat, Sundeep
One-pot cascade approach to phenanthridine-fused quinazoliniminiums from heteroenyne-allenes.
Organic letters, 2014, 16, 1494-1497
1513819 CIFC32 H50 N2 O3 SI 1 2 115.1901; 5.6134; 39.9231
90; 93.453; 90
3398Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Shah, Rushabh S.; Thompson, Amber L.; Thomson, James E.
(-)-(2S,3R,Z)-Nakinadine A: First Asymmetric Synthesis and Absolute Configuration Assignment.
Organic letters, 2014, 16, 1354-1357
1513820 CIFC15 H18 O4P 1 21 17.618; 8.981; 18.678
90; 93.644; 90
1275.3Zhang, Dewu; Ge, Hanlin; Zou, Jian-Hua; Tao, Xiaoyu; Chen, Ridao; Dai, Jungui
Periconianone A, a New 6/6/6 Carbocyclic Sesquiterpenoid from Endophytic Fungus Periconia sp. with Neural Anti-inflammatory Activity.
Organic letters, 2014, 16, 1410-1413
1513821 CIFC44.4 H34.4 Cl7.2 N4 O8 S2P 21 21 215.769; 27.12; 11.319
90; 90; 90
4841Ema, Tadashi; Okuda, Keiichi; Watanabe, Sagiri; Yamasaki, Takayuki; Minami, Tsuyoshi; Esipenko, Nina A.; Anzenbacher, Jr, Pavel
Selective anion sensing by chiral macrocyclic receptors with multiple hydrogen-bonding sites
Organic Letters, 2014, 16, 1302-1305

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