Crystallography Open Database

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1513210 CIFC72 H114 N0 O73P 21 21 219.4126; 14.233; 37.401
90; 90; 90
5010.6Ivanova, Bojidarka; Spiteller, Michael
Macromolecular ensembles of cyclodextrin crystallohydrates and clathrates ‒ experimental and theoretical gas ‒ and condense phase study
International Journal of Biological Macromolecules, 2014, 64, 383-391
1513211 CIFC43 H70 O39P 1 21 115.1625; 10.255; 20.9687
90; 110.479; 90
3054.4Ivanova, Bojidarka; Spiteller, Michael
Macromolecular ensembles of cyclodextrin crystallohydrates and clathrates ‒ experimental and theoretical gas ‒ and condense phase study
International Journal of Biological Macromolecules, 2014, 64, 383-391
1513212 CIFC40 H70 N0 O40P 1 21 115.1417; 10.184; 20.937
90; 110.926; 90
3015.6Ivanova, Bojidarka; Spiteller, Michael
Macromolecular ensembles of cyclodextrin crystallohydrates and clathrates ‒ experimental and theoretical gas ‒ and condense phase study
International Journal of Biological Macromolecules, 2014, 64, 383-391
1513213 CIFD3 K Mg N2P n m a9.3497; 3.6631; 9.8901
90; 90; 90
338.725Napolitano, Emilio; Dolci, Francesco; Campesi, Renato; Pistidda, Claudio; Hoelzel, Markus; Moretto, Pietro; Enzo, Stefano
Corrigendum to Crystal structure solution of KMg(ND)(ND2): An ordered mixed amide/imide compound.
Int.J.Hydro.Eneg, 2014, 39, 8181-8183
1513341 CIFC18 H43 Cl2 Ir P2P 1 21/c 18.0646; 8.9616; 16.2738
90; 92.672; 90
1174.86Garbacz, Piotr; Terskikh, Victor V.; Ferguson, Michael J.; Bernard, Guy M.; Kędziorek, Mariusz; Wasylishen, Roderick E.
Experimental Characterization of the Hydride (1)H Shielding Tensors for HIrX2(PR3)2 and HRhCl2(PR3)2: Extremely Shielded Hydride Protons with Unusually Large Magnetic Shielding Anisotropies.
The journal of physical chemistry. A, 2014, 118, 1203-1212
1513342 CIFC18 H43 Cl2 P2 RhP 1 21/c 18.0734; 8.9633; 16.266
90; 92.5754; 90
1175.89Garbacz, Piotr; Terskikh, Victor V.; Ferguson, Michael J.; Bernard, Guy M.; Kędziorek, Mariusz; Wasylishen, Roderick E.
Experimental Characterization of the Hydride (1)H Shielding Tensors for HIrX2(PR3)2 and HRhCl2(PR3)2: Extremely Shielded Hydride Protons with Unusually Large Magnetic Shielding Anisotropies.
The journal of physical chemistry. A, 2014, 118, 1203-1212
1513343 CIFC28 H21 F6 N SC 1 2 122.064; 10.5914; 22.751
90; 118.669; 90
4664.9Hirose, Takashi; Inoue, Yuki; Hasegawa, Jun-Ya; Higashiguchi, Kenji; Matsuda, Kenji
Investigation on CD Inversion at Visible Region Caused by a Tilt of the π-Conjugated Substituent: Theoretical and Experimental Approaches by Using an Asymmetric Framework of Diarylethene Annulated Isomer.
The journal of physical chemistry. A, 2014, 118, 1084-1093
1513344 CIFC37 H46 N2 O2P -19.4723; 13.8209; 14.2201
116.052; 97.4525; 101.172
1591.32Yamashita, Hiroaki; Abe, Jiro
Remarkable Solvatochromic Color Change via Proton Tautomerism of a Phenol-Linked Imidazole Derivative.
The journal of physical chemistry. A, 2014, 118, 1430-1438
1513345 CIFC39 H52 N2 O3 SP -19.5672; 13.359; 15.03
93.77; 105.796; 90.872
1843.3Yamashita, Hiroaki; Abe, Jiro
Remarkable Solvatochromic Color Change via Proton Tautomerism of a Phenol-Linked Imidazole Derivative.
The journal of physical chemistry. A, 2014, 118, 1430-1438
1513350 CIFC50 H53.08 Cl10 Fe1.46 Li2 N4 O4C 1 2/c 115.1373; 19.6216; 18.5258
90; 99.2166; 90
5431.46Allan, Laura E. N.; MacDonald, Jarret P.; Nichol, Gary S.; Shaver, Michael P.
Single Component Iron Catalysts for Atom Transfer and Organometallic Mediated Radical Polymerizations: Mechanistic Studies and Reaction Scope
Macromolecules, 2014, 47, 1249
1513351 CIFC61.2 H85.4 Cl10 Fe2 Li2 N4 O10.3P 1 21/c 113.7729; 23.7241; 21.6192
90; 101.647; 90
6918.6Allan, Laura E. N.; MacDonald, Jarret P.; Nichol, Gary S.; Shaver, Michael P.
Single Component Iron Catalysts for Atom Transfer and Organometallic Mediated Radical Polymerizations: Mechanistic Studies and Reaction Scope
Macromolecules, 2014, 47, 1249
1513352 CIFC10 H18 O4P 1 21/c 117.8563; 6.4916; 8.8522
90; 98.862; 90
1013.9Liu, Ye; Wang, Meng; Ren, Wei-Min; He, Ke-Ke; Xu, Yue-Chao; Liu, Jie; Lu, Xiao-Bing
Stereospecific CO2Copolymers from 3,5-Dioxaepoxides: Crystallization and Functionallization
Macromolecules, 2014, 47, 1269
1513353 CIFC12 H19 Br N2 O3 ZnP 6115.9539; 15.9539; 14.7843
90; 90; 120
3258.9Kuang, Xuan; Ma, Yu; Su, Hao; Zhang, Jine; Dong, Yu-Bin; Tang, Bo
High-performance liquid chromatographic enantioseparation of racemic drugs based on homochiral metal-organic framework.
Analytical chemistry, 2014, 86, 1277-1281
1513354 CIFC21 H21 Cl N8 O6P 1 21/c 112.1371; 16.7863; 10.8176
90; 96.76; 90
2188.6Xu, 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
1513355 CIFC22 H34 O5P 1 21 111.7016; 13.6677; 13.7418
90; 108.591; 90
2083.1Li, Rui-Juan; Lin, Zhao-Min; Kang, Ya-Qi; Guo, Yan-Xia; Lv, Xin; Zhou, Jin-Chuan; Wang, Song; Lou, Hong-Xiang
Cembrane-Type Diterpenoids from the Chinese Liverworts Chandonanthus hirtellus and C. birmensis.
Journal of natural products, 2014, 77, 339-345
1513356 CIFC22 H34 O5P 1 21 15.6773; 13.9911; 13.0148
90; 95.41; 90
1029.18Li, Rui-Juan; Lin, Zhao-Min; Kang, Ya-Qi; Guo, Yan-Xia; Lv, Xin; Zhou, Jin-Chuan; Wang, Song; Lou, Hong-Xiang
Cembrane-Type Diterpenoids from the Chinese Liverworts Chandonanthus hirtellus and C. birmensis.
Journal of natural products, 2014, 77, 339-345
1513357 CIFC17 H17 Cl N2 O5P 1 21 17.6925; 10.9091; 10.288
90; 90.238; 90
863.34Jansen, Rolf; Sood, Sakshi; Huch, Volker; Kunze, Brigitte; Stadler, Marc; Müller, Rolf
Pyrronazols, Metabolites from the Myxobacteria Nannocystis pusilla and N. exedens, Are Unusual Chlorinated Pyrone-Oxazole-Pyrroles.
Journal of natural products, 2014, 77, 320-326
1513358 CIFC32.5 H52.5 Cl7.5 O3P 21 21 2110.7324; 23.7833; 28.8248
90; 90; 90
7357.6Zhou, Jian; Li, Chuang-Jun; Yang, Jing-Zhi; Ma, Jie; Li, Yan; Bao, Xiu-Qi; Chen, Xiao-Guang; Zhang, Dan; Zhang, Dong-Ming
Lupane Triterpenoids from the Stems of Euonymus carnosus.
Journal of natural products, 2014, 77, 276-284
1513359 CIFC19 H22 N2 OP 21 21 2111.2107; 11.5443; 12.1199
90; 90; 90
1568.55Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok
Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.
Journal of natural products, 2014, 77, 327-338
1513360 CIFC38 H48 N4 O9P 110.1848; 10.362; 10.3848
71.742; 67.38; 60.647
871.11Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok
Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.
Journal of natural products, 2014, 77, 327-338
1513361 CIFC19 H22 Cl2 N2 O3P 21 21 217.1721; 26.1619; 27.9882
90; 90; 90
5251.6Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok
Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.
Journal of natural products, 2014, 77, 327-338
1513362 CIFC19 H22 N2 O2P 3111.4602; 11.4602; 10.0616
90; 90; 120
1144.41Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok
Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.
Journal of natural products, 2014, 77, 327-338
1513363 CIFC19 H20 N2 O2P 21 21 218.8855; 11.394; 14.8635
90; 90; 90
1504.8Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok
Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.
Journal of natural products, 2014, 77, 327-338
1513364 CIFC20 H26 N2 O4P 21 21 218.1771; 10.8938; 19.8901
90; 90; 90
1771.8Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok
Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.
Journal of natural products, 2014, 77, 327-338
1513365 CIFC19 H22 N2 O3P 21 21 219.6652; 16.1799; 21.1959
90; 90; 90
3314.7Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok
Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.
Journal of natural products, 2014, 77, 327-338
1513366 CIFC39 H46 Cl2 N4 O6P 1 21 18.0086; 14.9302; 15.3044
90; 94.648; 90
1823.93Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok
Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.
Journal of natural products, 2014, 77, 327-338
1513367 CIFC15 H24 O8P 21 21 216.8307; 14.3712; 15.256
90; 90; 90
1497.61Fruhmann, Philipp; Mikula, Hannes; Wiesenberger, Gerlinde; Varga, Elisabeth; Lumpi, Daniel; Stöger, Berthold; Häubl, Georg; Lemmens, Marc; Berthiller, Franz; Krska, Rudolf; Adam, Gerhard; Hametner, Christian; Fröhlich, Johannes
Isolation and structure elucidation of pentahydroxyscirpene, a trichothecene fusarium mycotoxin.
Journal of natural products, 2014, 77, 188-192
1513368 CIFC23 H31.5 N O4.5C 1 2 129.934; 7.8815; 8.732
90; 98.3; 90
2038.5Li, Yong; Wu, Chongming; Liu, Dong; Proksch, Peter; Guo, Peng; Lin, Wenhan
Chartarlactams A-P, Phenylspirodrimanes from the Sponge-Associated Fungus Stachybotrys chartarum with Antihyperlipidemic Activities.
Journal of natural products, 2014, 77, 138-147
1513369 CIFC23 H30 N O5.5C 1 2 129.5456; 7.8704; 8.8858
90; 96.335; 90
2053.65Li, Yong; Wu, Chongming; Liu, Dong; Proksch, Peter; Guo, Peng; Lin, Wenhan
Chartarlactams A-P, Phenylspirodrimanes from the Sponge-Associated Fungus Stachybotrys chartarum with Antihyperlipidemic Activities.
Journal of natural products, 2014, 77, 138-147
1513370 CIFC23 H32 N O5.5P 1 21 110.5137; 13.1195; 15.3947
90; 92.885; 90
2120.77Li, Yong; Wu, Chongming; Liu, Dong; Proksch, Peter; Guo, Peng; Lin, Wenhan
Chartarlactams A-P, Phenylspirodrimanes from the Sponge-Associated Fungus Stachybotrys chartarum with Antihyperlipidemic Activities.
Journal of natural products, 2014, 77, 138-147
1513371 CIFC11 H16 O5P 1 21 19.9972; 7.3788; 15.5846
90; 103.612; 90
1117.34Chen, Shenxi; Ren, Fengxia; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng
Dioxatricyclic and Oxabicyclic Polyketides from Trichocladium opacum.
Journal of natural products, 2014, 77, 9-14
1513372 CIFC11 H14 O5P 1 21 19.9909; 7.57278; 13.7572
90; 90.46; 90
1040.82Chen, Shenxi; Ren, Fengxia; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng
Dioxatricyclic and Oxabicyclic Polyketides from Trichocladium opacum.
Journal of natural products, 2014, 77, 9-14
1513373 CIFC11 H18 O6P 21 21 216.6087; 6.6339; 27.605
90; 90; 90
1210.24Chen, Shenxi; Ren, Fengxia; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng
Dioxatricyclic and Oxabicyclic Polyketides from Trichocladium opacum.
Journal of natural products, 2014, 77, 9-14
1513374 CIFC23 H24 O8P 110.4726; 11.2226; 11.4289
60.65; 89.832; 67.745
1055.4Andrioli, Willian J.; Conti, Raphael; Araújo, Magali J; Zanasi, Riccardo; Cavalcanti, Bruno C.; Manfrim, Viviane; Toledo, Juliano S.; Tedesco, Daniele; de Moraes, Manoel O.; Pessoa, Cláudia; Cruz, Angela K.; Bertucci, Carlo; Sabino, José; Nanayakkara, Dhammika N. P.; Pupo, Mônica T; Bastos, Jairo K.
Mycoleptones A-C and Polyketides from the Endophyte Mycoleptodiscus indicus.
Journal of natural products, 2014, 77, 70-78
1513375 CIFC20 H30 O3P 1 21 18.1278; 6.9825; 16.1268
90; 92.741; 90
914.19Chao, Chih-Hua; Cheng, Ju-Chien; Shen, De-Yang; Wu, Tian-Shung
Anti-Hepatitis C Virus Dinorditerpenes from the Roots of Flueggea virosa.
Journal of natural products, 2014, 77, 22-28
1513376 CIFC19 H21 Br N2 O3P -16.5873; 15.1475; 18.706
80.57; 87.305; 88.026
1838.57Nardele, Chinmay G.; Asha, S. K.
Photoresponsive smectic liquid crystalline multipods and hyperbranched azo polymers.
The journal of physical chemistry. B, 2014, 118, 1670-1684
1513377 CIFC28 H20 O4P 63/m14.766; 14.766; 17.858
90; 90; 120
3372Surov, Oleg V.; Voronova, Marina I.; Barannikov, Vladimir P.; Shaposhnikov, Gennady P.
Structural Features and Thermal Stability of 25,26,27,28-Tetrahydroxycalix[4]arene Molecular Complexes with Solvents
The Journal of Physical Chemistry C, 2014, 118, 338
1513378 CIFC32 H28 N2 O6 S4P 1 21/c 111.1947; 5.6858; 23.9486
90; 101.642; 90
1492.99Salammal, Shabi Thankaraj; Balandier, Jean-Yves; Arlin, Jean-Baptiste; Olivier, Yoann; Lemaur, Vincent; Wang, Linjun; Beljonne, David; Cornil, Jérôme; Kennedy, Alan Robert; Geerts, Yves Henri; Chattopadhyay, Basab
Polymorphism in Bulk and Thin Films: The Curious Case of Dithiophene-DPP(Boc)-Dithiophene
The Journal of Physical Chemistry C, 2014, 118, 657
1513379 CIFC43 H34 Cl N6 O29 Tb4C 1 2/c 134.5079; 19.159; 23.9838
90; 128.019; 90
12491.9Zhou, Jing-Min; Shi, Wei; Li, Hui-Min; Li, Han; Cheng, Peng
Experimental Studies and Mechanism Analysis of High-Sensitivity Luminescent Sensing of Pollutional Small Molecules and Ions in Ln4O4Cluster Based Microporous Metal‒Organic Frameworks
The Journal of Physical Chemistry C, 2014, 118, 416
1513380 CIFC43 H34 Cl Gd4 N6 O29C 1 2/c 134.5583; 19.0573; 23.688
90; 128.188; 90
12261.9Zhou, Jing-Min; Shi, Wei; Li, Hui-Min; Li, Han; Cheng, Peng
Experimental Studies and Mechanism Analysis of High-Sensitivity Luminescent Sensing of Pollutional Small Molecules and Ions in Ln4O4Cluster Based Microporous Metal‒Organic Frameworks
The Journal of Physical Chemistry C, 2014, 118, 416
1513381 CIFC18 H13 N OP -19.8789; 12.107; 23.0938
104.855; 98.818; 90.34
2635.3Husmann, Ralph; Wertz, Sebastian; Daniliuc, Constantin G.; Schäfer, Sascha W.; McArdle, Ciarán B.; Studer, Armido
UV‒Vis Monitoring of Radical Polymerizations by Spin Trapping with Chromophoric Nitrones
Macromolecules, 2014, 47, 993
1513382 CIFC29 H31 B N2P 1 21/c 110.065; 15.889; 15.467
90; 106.885; 90
2366.9Ko, Soo-Byung; Lu, Jia-Sheng; Wang, Suning
Chelation-assisted photoelimination of b,n-heterocycles.
Organic letters, 2014, 16, 616-619
1513383 CIFC40 H49 B N2 O2 PtR -3 :H36.782; 36.782; 14.26
90; 90; 120
16708Ko, Soo-Byung; Lu, Jia-Sheng; Wang, Suning
Chelation-assisted photoelimination of b,n-heterocycles.
Organic letters, 2014, 16, 616-619
1513384 CIFC18 H14 N2 OP 1 21/c 112.2122; 9.7378; 11.5756
90; 90.414; 90
1376.5Sun, Wen-Wu; Cao, Pei; Mei, Ren-Qiang; Li, Yue; Ma, Yuan-Liang; Wu, Bin
Palladium-Catalyzed Unactivated C(sp(3))-H Bond Activation and Intramolecular Amination of Carboxamides: A New Approach to β-Lactams.
Organic letters, 2014, 16, 480-483
1513385 CIFC19 H16 N2 O2P 1 21/c 113.6518; 9.812; 12.3174
90; 112.549; 90
1523.8Sun, Wen-Wu; Cao, Pei; Mei, Ren-Qiang; Li, Yue; Ma, Yuan-Liang; Wu, Bin
Palladium-Catalyzed Unactivated C(sp(3))-H Bond Activation and Intramolecular Amination of Carboxamides: A New Approach to β-Lactams.
Organic letters, 2014, 16, 480-483
1513386 CIFC18 H13 F N2 OP 1 21/c 17.8685; 16.8026; 10.9944
90; 106.843; 90
1391.2Sun, Wen-Wu; Cao, Pei; Mei, Ren-Qiang; Li, Yue; Ma, Yuan-Liang; Wu, Bin
Palladium-Catalyzed Unactivated C(sp(3))-H Bond Activation and Intramolecular Amination of Carboxamides: A New Approach to β-Lactams.
Organic letters, 2014, 16, 480-483
1513387 CIFC21 H34 O5P b c n23.5047; 13.3187; 13.1615
90; 90; 90
4120.2He, Shuzhong; Yang, Wei; Zhu, Lizhi; Du, Guangyan; Lee, Chi-Sing
Bioinspired Total Synthesis of (±)-Yezo'otogirin C.
Organic letters, 2014, 16, 496-499
1513388 CIFC22 H12 SP 1 21/c 122.853; 3.9578; 16.3958
90; 105.654; 90
1428Zhang, Shiqian; Qiao, Xiaolan; Chen, Ying; Wang, Yuanyuan; Edkins, Robert M.; Liu, Zhiqiang; Li, Hongxiang; Fang, Qi
Synthesis, Structure, and Opto-electronic Properties of Regioisomeric Pyrene-Thienoacenes.
Organic letters, 2014, 16, 342-345
1513389 CIFC23 H16 SP 1 21/c 112.7799; 12.0694; 10.7199
90; 95.423; 90
1646.1Zhang, Shiqian; Qiao, Xiaolan; Chen, Ying; Wang, Yuanyuan; Edkins, Robert M.; Liu, Zhiqiang; Li, Hongxiang; Fang, Qi
Synthesis, Structure, and Opto-electronic Properties of Regioisomeric Pyrene-Thienoacenes.
Organic letters, 2014, 16, 342-345
1513390 CIFC22 H12 SP 21 21 214.3991; 15.0875; 21.4552
90; 90; 90
1424.01Zhang, Shiqian; Qiao, Xiaolan; Chen, Ying; Wang, Yuanyuan; Edkins, Robert M.; Liu, Zhiqiang; Li, Hongxiang; Fang, Qi
Synthesis, Structure, and Opto-electronic Properties of Regioisomeric Pyrene-Thienoacenes.
Organic letters, 2014, 16, 342-345

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