Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1513822 | CIF | C46 H37 N7 O10 | P 1 21 1 | 10.0375; 41.669; 10.5117 90; 110.473; 90 | 4118.8 | Ema, 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 |
| 1513823 | CIF | C29 H34 O11 | P 21 21 21 | 11.6577; 12.319; 18.3198 90; 90; 90 | 2630.93 | Shi, Yi-Ming; Yang, Jie; Xu, Li; Li, Xiao-Nian; Shang, Shan-Zhai; Cao, Peng; Xiao, Wei-Lie; Sun, Han-Dong Structural Characterization and Antioxidative Activity of Lancifonins: Unique Nortriterpenoids from Schisandra lancifolia. Organic letters, 2014, 16, 1370-1373 |
| 1513824 | CIF | C42 H25 Cl O9 | P -1 | 10.9599; 12.1631; 14.371 102.481; 108.708; 101.479 | 1695.4 | Shu, Wen-Ming; Ma, Jun-Rui; Yang, Yan; Wu, An-Xin An Efficient Synthesis of Novel Fused Cycloheptatrienes through Mn(II)-Mediated Formal Intermolecular [2 + 2 + 2 + 1] Cycloaddition. Organic letters, 2014, 16, 1286-1289 |
| 1513825 | CIF | C28 H42 O6 | P 21 21 21 | 8.47047; 14.19176; 21.8094 90; 90; 90 | 2621.73 | Xue, Jinghua; Wu, Ping; Xu, Liangxiong; Wei, Xiaoyi Penicillitone, a Potent in Vitro Anti-inflammatory and Cytotoxic Rearranged Sterol with an Unusual Tetracycle Core Produced by Penicillium purpurogenum. Organic letters, 2014, 16, 1518-1521 |
| 1513826 | CIF | C10 H23 Br F2 O3 Si Zn | P 1 21/n 1 | 7.1144; 26.573; 9.7522 90; 101.267; 90 | 1808.1 | Kosobokov, Mikhail D.; Levin, Vitalij V.; Zemtsov, Artem A.; Struchkova, Marina I.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Dilman, Alexander D. Geminal Silicon/Zinc Reagent as an Equivalent of Difluoromethylene Bis-carbanion. Organic letters, 2014, 16, 1438-1441 |
| 1513827 | CIF | C44 H54 N4 S2 | P -1 | 4.62; 14.0234; 15.5359 99.0404; 95.4568; 99.291 | 973.48 | Mori, Takamichi; Yanai, Naoyuki; Osaka, Itaru; Takimiya, Kazuo Quinoidal Naphtho[1,2-b:5,6-b']dithiophenes for Solution-Processed n-Channel Organic Field-Effect Transistors. Organic letters, 2014, 16, 1334-1337 |
| 1513828 | CIF | C28 H30 O7 | P 1 21/c 1 | 12.674; 18.0944; 21.0316 90; 92.142; 90 | 4819.77 | Bueno Pérez, Lynette; Pan, Li; Muñoz Acuña, Ulyana; Li, Jie; Chai, Hee-Byung; Gallucci, Judith C.; Ninh, Tran Ngoc; Carcache de Blanco, Esperanza J.; Soejarto, Djaja D.; Kinghorn, A. Douglas Caeruleanone A, a Rotenoid with a New Arrangement of the D-Ring from the Fruits of Millettia caerulea. Organic letters, 2014, 16, 1462-1465 |
| 1513829 | CIF | C23 H40 I N O5 Si2 | P 1 | 9.2285; 12.5843; 12.7057 99.428; 109.693; 94.741 | 1355.32 | Coste, Alexis; Bayle, Alexandre; Marrot, Jérome; Evano, Gwilherm A Convergent Synthesis of the Fully Elaborated Macrocyclic Core of TMC-95A. Organic letters, 2014, 16, 1306-1309 |
| 1513830 | CIF | C28 H49 I N2 O6 Si2 | P 21 21 21 | 9.373; 12.818; 27.701 90; 90; 90 | 3328 | Coste, Alexis; Bayle, Alexandre; Marrot, Jérome; Evano, Gwilherm A Convergent Synthesis of the Fully Elaborated Macrocyclic Core of TMC-95A. Organic letters, 2014, 16, 1306-1309 |
| 1513831 | CIF | C23 H38 I N O5 Si2 | P 1 21 1 | 15.6616; 36.288; 19.8167 90; 93.443; 90 | 11242.1 | Coste, Alexis; Bayle, Alexandre; Marrot, Jérome; Evano, Gwilherm A Convergent Synthesis of the Fully Elaborated Macrocyclic Core of TMC-95A. Organic letters, 2014, 16, 1306-1309 |
| 1513832 | CIF | C46.5 H62 N8 O8 | P -1 | 12.036; 16.67; 24.484 89.4; 85.2; 83.07 | 4859.5 | Tron, Arnaud; Thornton, Peter J.; Rocher, Mathias; Jacquot de Rouville, Henri-Pierre; Desvergne, Jean-Pierre; Kauffmann, Brice; Buffeteau, Thierry; Cavagnat, Dominique; Tucker, James H. R.; McClenaghan, Nathan D. Formation of a hydrogen-bonded barbiturate [2]-rotaxane. Organic letters, 2014, 16, 1358-1361 |
| 1513833 | CIF | C23 H19 Br I N O | P 21 21 21 | 8.90819; 9.29032; 48.8609 90; 90; 90 | 4043.72 | Tabata, Hidetsugu; Kayama, Susumu; Takahashi, Yuka; Tani, Norihiko; Wakamatsu, Shintaro; Tasaka, Tomohiko; Oshitari, Tetsuta; Natsugari, Hideaki; Takahashi, Hideyo A complete gear system in N-benzoyl-carbazole derivatives. Organic letters, 2014, 16, 1514-1517 |
| 1513834 | CIF | C23 H19 Br I N O | P 21 21 21 | 9.87619; 13.817; 15.2234 90; 90; 90 | 2077.37 | Tabata, Hidetsugu; Kayama, Susumu; Takahashi, Yuka; Tani, Norihiko; Wakamatsu, Shintaro; Tasaka, Tomohiko; Oshitari, Tetsuta; Natsugari, Hideaki; Takahashi, Hideyo A complete gear system in N-benzoyl-carbazole derivatives. Organic letters, 2014, 16, 1514-1517 |
| 1513835 | CIF | C46 H55 Cl3 N3 O P S2 | C 1 2 1 | 35.727; 13.896; 19.912 90; 116.668; 90 | 8834 | He, Xiaoming; Lin, Jian-Bin; Kan, Wang Hay; Trudel, Simon; Baumgartner, Thomas Synthesis and properties of cholesteric click-phospholes. Organic letters, 2014, 16, 1366-1369 |
| 1513836 | CIF | C22 H37 N20 O41 W10 | P 1 21/c 1 | 14.477; 10.8678; 21.627 90; 122.78; 90 | 2860.8 | Kulikov, Vladislav; Meyer, Gerd Polyoxotungstates in Molecular Boxes of Purine Bases Crystals, 2014, 4, 64 |
| 1513837 | CIF | C14 H22 N8 O25 W6 | C 1 2/c 1 | 16.81; 13.0514; 15.675 90; 109.73; 90 | 3237.1 | Kulikov, Vladislav; Meyer, Gerd Polyoxotungstates in Molecular Boxes of Purine Bases Crystals, 2014, 4, 64 |
| 1513838 | CIF | C21 H45 N12 O46.5 W10 | P -1 | 13.4905; 15.1707; 17.0692 79.594; 89.386; 70.001 | 3223.8 | Kulikov, Vladislav; Meyer, Gerd Polyoxotungstates in Molecular Boxes of Purine Bases Crystals, 2014, 4, 64 |
| 1513839 | CIF | C27 H37 N2 P | C 1 2/c 1 | 20.0613; 6.9855; 38.187 90; 102.741; 90 | 5219.7 | Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals Chemical Science, 2014, 5, 1545 |
| 1513840 | CIF | C58 H80 Cl N4 O P3 | P 1 21/c 1 | 17.0305; 21.4738; 16.7809 90; 115.996; 90 | 5516 | Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals Chemical Science, 2014, 5, 1545 |
| 1513841 | CIF | C72 H116 Cl N4 O3 P7 Si2 | P 1 21/n 1 | 22.3995; 12.1255; 29.5997 90; 90.82; 90 | 8038.6 | Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals Chemical Science, 2014, 5, 1545 |
| 1513842 | CIF | C54 H72 N4 P3 | P -1 | 11.9151; 13.5428; 15.8914 85.68; 89.601; 79.255 | 2512.11 | Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals Chemical Science, 2014, 5, 1545 |
| 1513843 | CIF | C66 H96 As Cl N4 O3 P2 | C 1 2/c 1 | 24.928; 14.103; 17.8654 90; 92.468; 90 | 6274.9 | Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals Chemical Science, 2014, 5, 1545 |
| 1513844 | CIF | C54 H72 As N4 P2 | C 1 c 1 | 10.2682; 42.469; 24.23 90; 92.756; 90 | 10554 | Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals Chemical Science, 2014, 5, 1545 |
| 1513845 | CIF | C60 H78 N4 O4 P6 | P 1 21/n 1 | 23.6782; 18.3268; 29.7342 90; 103.981; 90 | 12520.8 | Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals Chemical Science, 2014, 5, 1545 |
| 1513846 | CIF | C39 H40 Cl4 F6 N3 O6 P2 Pt S2 | C 1 2/c 1 | 20.729; 16.7382; 13.9693 90; 93.679; 90 | 4836.9 | Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark Cation‒cation bonding in nitrenium metal complexes Chemical Science, 2014, 5, 1305 |
| 1513847 | CIF | C60 H61 F12 K N3 O13 P3 Pt S4 | P -1 | 13.778; 14.772; 17.476 84.622; 82.6; 83.819 | 3495.21 | Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark Cation–cation bonding in nitrenium metal complexes Chemical Science, 2014, 5, 1305 |
| 1513848 | CIF | C48 H64 F12 N3 O3.5 P4 Rh | P 1 21/c 1 | 13.854; 22.376; 19.553 90; 109.609; 90 | 5709.8 | Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark Cation‒cation bonding in nitrenium metal complexes Chemical Science, 2014, 5, 1305 |
| 1513849 | CIF | C38 H40 Cl5 F6 N3 O6 P2 Pt S2 | C 1 2/c 1 | 26.8737; 12.5922; 16.0468 90; 120.726; 90 | 4667.93 | Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark Cation‒cation bonding in nitrenium metal complexes Chemical Science, 2014, 5, 1305 |
| 1513850 | CIF | C120 H126 F24 N6 O4 P10 Rh2 | P 1 21/c 1 | 15.7239; 17.5295; 23.5911 90; 106.188; 90 | 6244.7 | Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark Cation‒cation bonding in nitrenium metal complexes Chemical Science, 2014, 5, 1305 |
| 1513851 | CIF | C56 H44 Ca2 F12 N12 O16 S4 | P -1 | 11.2305; 12.1307; 13.8812 97.683; 111.479; 105.007 | 1643.89 | Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie A light-induced reversible phase separation and its coupling to a dynamic library of imines Chemical Science, 2014, 5, 1475 |
| 1513852 | CIF | C26 H30 Ca Cl2 N8 O | P 1 21/c 1 | 13.9231; 13.4981; 15.7366 90; 104.682; 90 | 2860.9 | Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie A light-induced reversible phase separation and its coupling to a dynamic library of imines Chemical Science, 2014, 5, 1475 |
| 1513853 | CIF | C13 H10 Ca F6 N4 O6 S2 | P -1 | 8.8738; 10.2258; 11.11 92.066; 98.016; 100.127 | 980.84 | Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie A light-induced reversible phase separation and its coupling to a dynamic library of imines Chemical Science, 2014, 5, 1475 |
| 1513854 | CIF | C33 H29 Ca Cl2 N12 O8 | C 1 2/c 1 | 11.208; 19.89; 18.423 90; 96.346; 90 | 4081.8 | Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie A light-induced reversible phase separation and its coupling to a dynamic library of imines Chemical Science, 2014, 5, 1475 |
| 1513855 | CIF | C58 H57 Ca2 N15 O8 | P -1 | 12.8935; 14.4392; 18.0468 92.81; 107.021; 114.714 | 2861 | Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie A light-induced reversible phase separation and its coupling to a dynamic library of imines Chemical Science, 2014, 5, 1475 |
| 1513856 | CIF | C11 H20 Au Cl N4 O | P -1 | 7.5169; 9.9819; 10.683 113.158; 90.038; 98.162 | 728.12 | Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]− Chemical Science, 2014, 5, 1348 |
| 1513857 | CIF | C12 H16 Au2 N6 | C 1 2/m 1 | 15.634; 6.3008; 8.0648 90; 108.223; 90 | 754.59 | Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]− Chemical Science, 2014, 5, 1348 |
| 1513858 | CIF | C20 H20 Ag Au N6 | P 1 21/c 1 | 9.3279; 17.2846; 6.7132 90; 105.46; 90 | 1043.2 | Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]− Chemical Science, 2014, 5, 1348 |
| 1513859 | CIF | C9 H10 Au0.5 Cl0.5 N2 O | P -1 | 4.1212; 10.9295; 14.0406 67.288; 81.57; 89.986 | 575.98 | Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]− Chemical Science, 2014, 5, 1348 |
| 1513860 | CIF | C18 H23 O2 P | P 1 21 1 | 8.802; 10.1477; 10.3699 90; 114.98; 90 | 839.6 | Kortmann, Felix A.; Chang, Mu-Chieh; Otten, Edwin; Couzijn, Erik P. A.; Lutz, Martin; Minnaard, Adriaan J. Consecutive dynamic resolutions of phosphine oxides Chemical Science, 2014, 5, 1322 |
| 1513861 | CIF | C17 H21 O2 P | C 1 2 1 | 21.4308; 6.089; 13.0171 90; 116.36; 90 | 1522.01 | Kortmann, Felix A.; Chang, Mu-Chieh; Otten, Edwin; Couzijn, Erik P. A.; Lutz, Martin; Minnaard, Adriaan J. Consecutive dynamic resolutions of phosphine oxides Chemical Science, 2014, 5, 1322 |
| 1513862 | CIF | C14 H11 N O | P 1 21/c 1 | 25.1525; 11.425; 7.5575 90; 94.475; 90 | 2165.16 | Duan, Pingping; Yang, Yunfang; Ben, Rong; Yan, Yiyong; Dai, Lu; Hong, Mei; Wu, Yun-Dong; Wang, Dongqi; Zhang, Xinhao; Zhao, Jing Palladium-catalyzed benzo[d]isoxazole synthesis by C–H activation/[4 + 1] annulation Chemical Science, 2014, 5, 1574 |
| 1513863 | CIF | C33 H24.67 O13 Zn2.67 | P 2 3 | 23.9647; 23.9647; 23.9647 90; 90; 90 | 13763.1 | Shen, Ping; He, Wen-Wen; Du, Dong-Ying; Jiang, Hai-Long; Li, Shun-Li; Lang, Zhong-Ling; Su, Zhong-Min; Fu, Qiang; Lan, Ya-Qian Solid-state structural transformation doubly triggered by reaction temperature and time in 3D metal-organic frameworks: great enhancement of stability and gas adsorption Chemical Science, 2014, 5, 1368 |
| 1513864 | CIF | C49.5 H36 N0 O19 Zn4 | R -3 c :H | 26.669; 26.669; 86.622 90; 90; 120 | 53355 | Shen, Ping; He, Wen-Wen; Du, Dong-Ying; Jiang, Hai-Long; Li, Shun-Li; Lang, Zhong-Ling; Su, Zhong-Min; Fu, Qiang; Lan, Ya-Qian Solid-state structural transformation doubly triggered by reaction temperature and time in 3D metal-organic frameworks: great enhancement of stability and gas adsorption Chemical Science, 2014, 5, 1368 |
| 1513865 | CIF | C45 H51 Cr N3 P3 | P 21 21 21 | 13.0611; 16.5349; 22.6345 90; 90; 90 | 4888.2 | Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M. A series of C3-symmetric heterobimetallic Cr–M (M = Fe, Co and Cu) complexes Chemical Science, 2014, 5, 1617 |
| 1513866 | CIF | C45 H51 Cr Fe I N3 P3 | P a -3 | 20.6666; 20.6666; 20.6666 90; 90; 90 | 8826.9 | Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M. A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes Chemical Science, 2014, 5, 1617 |
| 1513867 | CIF | C45 H51 Co Cr I N3 P3 | P a -3 | 20.6768; 20.6768; 20.6768 90; 90; 90 | 8839.95 | Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M. A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes Chemical Science, 2014, 5, 1617 |
| 1513868 | CIF | C48 H60 Cr Fe N3 P4 | P -3 c 1 | 16.2739; 16.2739; 23.1328 90; 90; 120 | 5305.69 | Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M. A series of C3-symmetric heterobimetallic Cr–M (M = Fe, Co and Cu) complexes Chemical Science, 2014, 5, 1617 |
| 1513869 | CIF | C48 H60 Co Cr N3 P4 | P -3 c 1 | 16.2999; 16.2999; 22.8438 90; 90; 120 | 5256.2 | Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M. A series of C3-symmetric heterobimetallic Cr–M (M = Fe, Co and Cu) complexes Chemical Science, 2014, 5, 1617 |
| 1513870 | CIF | C48 H57 Cr Cu I N3 O0.75 P3 | P -1 | 10.7036; 22.2854; 22.5333 61.763; 81.327; 87.515 | 4678.8 | Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M. A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes Chemical Science, 2014, 5, 1617 |
| 1513871 | CIF | C17 H18 O2 S | P 21 21 21 | 5.673; 8.3677; 31.795 90; 90; 90 | 1509.3 | Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin Highly enantioselective S–H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids Chemical Science, 2014, 5, 1442 |
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