Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1515259 | CIF | C53.53 H67.58 N11 O12.86 | P -1 | 10.9563; 13.8555; 19.2 70.922; 84.699; 78.582 | 2698.8 | Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers Chemical Science, 2012, 3, 2726 |
| 1515260 | CIF | C104 H118 N22 O20 | I 1 2/a 1 | 23.1428; 17.9913; 27.126 90; 97.895; 90 | 11187.4 | Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers Chemical Science, 2012, 3, 2726 |
| 1515261 | CIF | C53.53 H67.58 N11 O12.86 | P -1 | 10.9563; 13.8555; 19.2 70.922; 84.699; 78.582 | 2698.8 | Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers Chemical Science, 2012, 3, 2726 |
| 1515262 | CIF | C53.53 H67.58 N11 O12.86 | P -1 | 10.9563; 13.8555; 19.2 70.922; 84.699; 78.582 | 2698.8 | Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers Chemical Science, 2012, 3, 2726 |
| 1515263 | CIF | C110 H110 Cl9 N7 S24 | C 1 2/c 1 | 31.769; 20.0818; 24.852 90; 129.585; 90 | 12219.2 | Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L. Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6) Chemical Science, 2012, 3, 2685 |
| 1515264 | CIF | C110 H127 Cl3 N6 S20 | P n m a | 28.3045; 24.6469; 17.5652 90; 90; 90 | 12253.8 | Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L. Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6) Chemical Science, 2012, 3, 2685 |
| 1515265 | CIF | C79 H85 Cl8 N5 S16 | P n n m | 29.858; 14.168; 21.609 90; 90; 90 | 9141 | Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L. Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6) Chemical Science, 2012, 3, 2685 |
| 1515266 | CIF | C18 H36 Cd N2 | P 1 21/n 1 | 11.8651; 11.5596; 15.509 90; 112.201; 90 | 1969.45 | Armstrong, David R.; Kennedy, Alan R.; Mulvey, Robert E.; Parkinson, John A.; Robertson, Stuart D. Opening the black box of mixed-metal TMP metallating reagents: direct cadmation or lithium–cadmium transmetallation? Chemical Science, 2012, 3, 2700 |
| 1515267 | CIF | C32 H28 N6 Si | P b c n | 20.8494; 10; 13.5537 90; 90; 90 | 2825.9 | Liu, Jianzhao; Su, Huimin; Meng, Luming; Zhao, Yihua; Deng, Chunmei; Ng, Jason C. Y.; Lu, Ping; Faisal, Mahtab; Lam, Jacky W. Y.; Huang, Xuhui; Wu, Hongkai; Wong, Kam Sing; Tang, Ben Zhong What makes efficient circularly polarised luminescence in the condensed phase: aggregation-induced circular dichroism and light emission Chemical Science, 2012, 3, 2737 |
| 1515268 | CIF | C18 H21 N O6 | P 1 | 11.3125; 12.0218; 13.7304 102.179; 107.108; 93.227 | 1730.44 | Kimmel, Kyle L.; Weaver, Jimmie D.; Ellman, Jonathan A. Enantio- and diastereoselective addition of cyclohexyl Meldrum's acid to β- and α,β-disubstituted nitroalkenes via N-sulfinyl urea catalysis Chemical Science, 2012, 3, 121 |
| 1515269 | CIF | C29 H40 Au Cl4 F N2 | P 1 21/m 1 | 9.3108; 16.3917; 10.7713 90; 103.594; 90 | 1597.9 | Mankad, Neal P.; Toste, F. Dean C(sp(3))-F reductive elimination from alkylgold(iii) fluoride complexes. Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 72-76 |
| 1515270 | CIF | C24 H25 Br N2 O | P 21 21 21 | 7.4734; 46.036; 6.1199 90; 90; 90 | 2105.5 | Zhuo, Chun-Xiang; Liu, Wen-Bo; Wu, Qing-Feng; You, Shu-Li Asymmetric dearomatization of pyrroles via Ir-catalyzed allylic substitution reaction: enantioselective synthesis of spiro-2H-pyrroles Chemical Science, 2012, 3, 205 |
| 1515271 | CIF | C67.5 H36 B F24 N5 P | C 1 2/c 1 | 30.1073; 18.082; 22.4608 90; 106.257; 90 | 11738.8 | Higashino, Tomohiro; Osuka, Atsuhiro Phosphorus complexes of a triply-fused [24]pentaphyrin Chemical Science, 2012, 3, 103 |
| 1515272 | CIF | C74.5 H22.25 Cl3.25 F24 N5 O P | P 1 21/a 1 | 29.5322; 10.3705; 41.5808 90; 99.1602; 90 | 12572.3 | Higashino, Tomohiro; Osuka, Atsuhiro Phosphorus complexes of a triply-fused [24]pentaphyrin Chemical Science, 2012, 3, 103 |
| 1515273 | CIF | C76 H30 F24 N5 P S | P 1 21/c 1 | 19.4591; 8.6913; 37.1609 90; 94.5998; 90 | 6264.6 | Higashino, Tomohiro; Osuka, Atsuhiro Phosphorus complexes of a triply-fused [24]pentaphyrin Chemical Science, 2012, 3, 103 |
| 1515274 | CIF | C57.75 H11 Cl3 F24 N6 O1.5 P | P -1 | 10.1849; 14.9773; 17.6759 85.568; 88.271; 76.766 | 2616.7 | Higashino, Tomohiro; Osuka, Atsuhiro Phosphorus complexes of a triply-fused [24]pentaphyrin Chemical Science, 2012, 3, 103 |
| 1515275 | CIF | C14 H21 N9 O6 | P 1 | 15.8942; 16.2322; 17.6688 89.748; 72.741; 63.537 | 3853.3 | Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants Chemical Science, 2012, 3, 249 |
| 1515276 | CIF | C24 H70 N6 O30 S2 | P 1 21 1 | 6.8516; 26.1435; 12.6653 90; 102.975; 90 | 2210.7 | Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants Chemical Science, 2012, 3, 249 |
| 1515277 | CIF | C24 H70 N6 O30 S2 | C 2 2 21 | 6.7453; 25.6806; 25.6822 90; 90; 90 | 4448.76 | Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants Chemical Science, 2012, 3, 249 |
| 1515278 | CIF | C56 H118 N13 O47 S5 | P 1 | 6.6138; 16.3922; 23.9598 101.113; 92.328; 95.176 | 2534 | Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants Chemical Science, 2012, 3, 249 |
| 1515332 | CIF | C16 H19 N O2 | P 1 21 1 | 11.3513; 5.7944; 11.73 90; 117.303; 90 | 685.6 | Rossegger, Elisabeth; Oláh, László; Fischer, Roland; Kaschnitz, Petra; Varga, Olívia; Kállay, Mihály; Scheipl, Gregor; Stelzer, Franz; Wiesbrock, Frank Synthesis of a poly(2-azanorbornene) with a high degree of cis-TT-stereoregularity and a regular secondary solution structure Polymer Chemistry, 2012, 3, 2760 |
| 1515333 | CIF | C51 H47 Cl2 Co N3 | P -1 | 9.713; 15.277; 16.407 81.79; 84.01; 76.97 | 2341 | Lai, Jingjuan; Zhao, Weizhen; Yang, Wenhong; Redshaw, Carl; Liang, Tongling; Liu, Yongwen; Sun, Wen-Hua 2-[1-(2,4-Dibenzhydryl-6-methylphenylimino)ethyl]-6-[1-(arylimino)ethyl]pyridylcobalt(ii) dichlorides: Synthesis, characterization and ethylene polymerization behavior Polymer Chemistry, 2012, 3, 787 |
| 1515334 | CIF | C25 H20 B N O | P 1 21/c 1 | 14.0269; 14.0772; 9.7274 90; 98.318; 90 | 1900.56 | Cheng, Fei; Bonder, Edward M.; Doshi, Ami; Jäkle, Frieder Organoboron star polymers via arm-first RAFT polymerization: synthesis, luminescent behavior, and aqueous self-assembly Polymer Chemistry, 2012, 3, 596 |
| 1515335 | CIF | C30 H20 | P 21 21 21 | 9.3233; 14.8844; 15.9251 90; 90; 90 | 2209.95 | Hu, Rongrong; Lam, Jacky W. Y.; Liu, Jianzhao; Sung, Herman H. Y.; Williams, Ian D.; Yue, Zhounan; Wong, Kam Sing; Yuen, Matthew M. F.; Tang, Ben Zhong Hyperbranched conjugated poly(tetraphenylethene): synthesis, aggregation-induced emission, fluorescent photopatterning, optical limiting and explosive detection Polymer Chemistry, 2012, 3, 1481 |
| 1515336 | CIF | C30 H20 | C 1 2/c 1 | 20.918; 5.5926; 19.778 90; 107.11; 90 | 2211 | Hu, Rongrong; Lam, Jacky W. Y.; Liu, Jianzhao; Sung, Herman H. Y.; Williams, Ian D.; Yue, Zhounan; Wong, Kam Sing; Yuen, Matthew M. F.; Tang, Ben Zhong Hyperbranched conjugated poly(tetraphenylethene): synthesis, aggregation-induced emission, fluorescent photopatterning, optical limiting and explosive detection Polymer Chemistry, 2012, 3, 1481 |
| 1515337 | CIF | C22.5 H17 Cl0.5 N6 | P -1 | 11.8246; 13.8037; 14.9944 114.804; 105.639; 98.943 | 2035.95 | Michinobu, Tsuyoshi; Seo, Chayeon; Noguchi, Keiichi; Mori, Takehiko Effects of click postfunctionalization on thermal stability and field effect transistor performances of aromatic polyamines Polymer Chemistry, 2012, 3, 1427 |
| 1515338 | CIF | C20 H11 N5 | I 41 | 12.1481; 12.1481; 10.9626 90; 90; 90 | 1617.82 | Michinobu, Tsuyoshi; Seo, Chayeon; Noguchi, Keiichi; Mori, Takehiko Effects of click postfunctionalization on thermal stability and field effect transistor performances of aromatic polyamines Polymer Chemistry, 2012, 3, 1427 |
| 1515339 | CIF | C16 H12 O S6 | P 1 c 1 | 22.338; 4.7901; 17.757 90; 113.326; 90 | 1744.7 | Kaur, Sandeep; Findlay, Neil J.; Kanibolotsky, Alexander L.; Elmasly, Saadeldin E. T.; Skabara, Peter J.; Berridge, Rory; Wilson, Claire; Coles, Simon J. Electrochromic properties of a poly(dithienylfuran) derivative featuring a redox-active dithiin unit Polymer Chemistry, 2012, 3, 2277 |
| 1515340 | CIF | C25 H24 N4 O3 | P 1 21/c 1 | 8.56617; 34.5561; 7.35229 90; 95.27; 90 | 2167.18 | Rayner, Georgina; Smith, Timothy; Barton, William; Newton, Mark; Deeth, Robert J.; Prokes, Ivan; Clarkson, Guy J.; Haddleton, David M. A comparison of verdazyl radicals modified at the 3-position as mediators in the living radical polymerisation of styrene and n-butyl acrylate Polymer Chemistry, 2012, 3, 2254 |
| 1515341 | CIF | C14 H12 N4 | P 1 21/n 1 | 5.8594; 19.801; 10.253 90; 97.18; 90 | 1180.2 | Lang, Christiane; Kiefer, Claude; Lejeune, Elise; Goldmann, Anja S.; Breher, Frank; Roesky, Peter W.; Barner-Kowollik, Christopher Palladium-containing polymers via a combination of RAFT and triazole chemistry Polymer Chemistry, 2012, 3, 2413 |
| 1515342 | CIF | C15 H15 Cl2 N4 O0.5 Pd S0.5 | P -1 | 9.907; 10.194; 19.177 79.28; 76.22; 62.5 | 1661.9 | Lang, Christiane; Kiefer, Claude; Lejeune, Elise; Goldmann, Anja S.; Breher, Frank; Roesky, Peter W.; Barner-Kowollik, Christopher Palladium-containing polymers via a combination of RAFT and triazole chemistry Polymer Chemistry, 2012, 3, 2413 |
| 1515408 | CIF | C19 H23 N S2 | P 1 21/c 1 | 5.48322; 41.7378; 7.65094 90; 107.176; 90 | 1672.89 | Allard, Nicolas; Najari, Ahmed; Pouliot, Jean-Rémi; Pron, Agnieszka; Grenier, François; Leclerc, Mario Easy and versatile synthesis of new poly(thieno[3,4-d]thiazole)s Polymer Chemistry, 2012, 3, 2875 |
| 1515693 | CIF | C28 H36 N2 O12 Zn | P b c a | 11.8469; 8.7118; 28.9529 90; 90; 90 | 2988.2 | Kawarada, Hikaru; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kuwahara, Shunsuke; Habata, Yoichi; Saito, Ryota Synthesis and in vitro insulin-mimetic activities of zinc(ii) complexes of ethyl 2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrole-3-carboxylates. Metallomics : integrated biometal science, 2011, 3, 675-679 |
| 1515694 | CIF | C19 H15 N O Ru | P 1 21/c 1 | 22.508; 5.9232; 22.328 90; 101.252; 90 | 2919.5 | Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors. Metallomics : integrated biometal science, 2011, 3, 600-608 |
| 1515695 | CIF | C20 H17 Fe N O | P b c a | 17.4825; 7.342; 23.1152 90; 90; 90 | 2966.99 | Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors. Metallomics : integrated biometal science, 2011, 3, 600-608 |
| 1515696 | CIF | C19 H14 Br Fe N O | C 1 2/c 1 | 30.9574; 16.257; 7.4078 90; 101.757; 90 | 3649.9 | Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors. Metallomics : integrated biometal science, 2011, 3, 600-608 |
| 1515697 | CIF | C19 H17 Fe N O | P 1 21/c 1 | 6.0028; 21.513; 11.3488 90; 93.01; 90 | 1463.54 | Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors. Metallomics : integrated biometal science, 2011, 3, 600-608 |
| 1515698 | CIF | C28 H31 Cl2 N3 Ru S | P -1 | 10.9976; 11.9803; 12.8925 82.679; 79.518; 73.741 | 1598.22 | Beckford, Floyd; Thessing, Jeffrey; Woods, Jason; Didion, Jacob; Gerasimchuk, Nikolay; Gonzalez-Sarrias, Antonio; Seeram, Navindra P. Synthesis and structure of [(η(6)-p-cymene)Ru(2-anthracen-9-ylmethylene-N-ethylhydrazinecarbothioamide)Cl]Cl; biological evaluation, topoisomerase II inhibition and reaction with DNA and human serum albumin. Metallomics : integrated biometal science, 2011, 3, 491-502 |
| 1515699 | CIF | C44 H52 N8 O4 P Ru S2 | P 1 21/c 1 | 25.792; 8.6974; 21.213 90; 111.142; 90 | 4438.3 | Prabhakaran, R.; Kalaivani, P.; Jayakumar, R.; Zeller, M.; Hunter, A. D.; Renukadevi, S. V.; Ramachandran, E.; Natarajan, K. Synthesis, structure and biological evaluation of bis salicylaldehyde-4(N)-ethylthiosemicarbazone ruthenium(iii) triphenylphosphine. Metallomics : integrated biometal science, 2011, 3, 42-48 |
| 1515700 | CIF | C16 H16 Br N3 O | P 1 21/n 1 | 7.082; 15.9788; 13.7653 90; 90.326; 90 | 1557.68 | Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies. Metallomics : integrated biometal science, 2011, 3, 74-88 |
| 1515701 | CIF | C23 H25 Br N2 O | P -1 | 9.9811; 10.0794; 11.7361 67.423; 82.718; 76.645 | 1059.77 | Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies. Metallomics : integrated biometal science, 2011, 3, 74-88 |
| 1515702 | CIF | C25 H21 Br N4 | P 1 21/n 1 | 7.269; 12.62118; 23.4502 90; 97.0346; 90 | 2135.21 | Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies. Metallomics : integrated biometal science, 2011, 3, 74-88 |
| 1515703 | CIF | C14 H12 Ag Cl2 N3 O2 | P 1 21/c 1 | 4.40268; 16.737; 21.1545 90; 91.612; 90 | 1558.21 | Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies. Metallomics : integrated biometal science, 2011, 3, 74-88 |
| 1515704 | CIF | C27 H23 Ag N4 O2 | P 1 2/n 1 | 15.3823; 7.83949; 19.8044 90; 96.7996; 90 | 2371.4 | Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies. Metallomics : integrated biometal science, 2011, 3, 74-88 |
| 1515705 | CIF | C62 H54 Ag2 N4 O4 | C 1 2/c 1 | 23.9368; 9.5997; 25.2845 90; 119.297; 90 | 5066.9 | Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies. Metallomics : integrated biometal science, 2011, 3, 74-88 |
| 1515706 | CIF | C25 H25 Ag N2 O2 | P 1 21/c 1 | 11.7885; 47.3901; 7.8129 90; 99.281; 90 | 4307.6 | Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies. Metallomics : integrated biometal science, 2011, 3, 74-88 |
| 1515707 | CIF | C16 H8 N2 | P -1 | 3.7976; 8.3908; 9.0986 72.193; 78.465; 89.756 | 269.958 | Xiao, Jinchong; Yin, Zongyou; Yang, Bo; Liu, Yi; Ji, Li; Guo, Jun; Huang, Ling; Liu, Xuewei; Yan, Qingyu; Zhang, Hua; Zhang, Qichun Preparation, characterization, physical properties, and photoconducting behaviour of anthracene derivative nanowires. Nanoscale, 2011, 3, 4720-4723 |
| 1515888 | CIF | C10 H32 B2 N4 Ni | P n m a | 14.4512; 9.4625; 11.7824 90; 90; 90 | 1611.18 | Churchard, Andrew James; Cyranski, Michał Ksawery; Dobrzycki, Łukasz; Budzianowski, Armand; Grochala, Wojciech Nickel macrocycles with complex hydrides—new avenues for hydrogen storage research Energy & Environmental Science, 2010, 3, 1973 |
| 1515889 | CIF | C10 H32 B2 N4 Ni | P 1 21/c 1 | 7.1397; 12.8109; 8.7041 90; 109.948; 90 | 748.36 | Churchard, Andrew James; Cyranski, Michał Ksawery; Dobrzycki, Łukasz; Budzianowski, Armand; Grochala, Wojciech Nickel macrocycles with complex hydrides—new avenues for hydrogen storage research Energy & Environmental Science, 2010, 3, 1973 |
| 1515890 | CIF | C17 H20 Co N5 O1.5 | I 41/a m d :2 | 22.847; 22.847; 12.458 90; 90; 90 | 6503 | Choi, Hye Jin; Dincă, Mircea; Dailly, Anne; Long, Jeffrey R. Hydrogen storage in water-stable metal‒organic frameworks incorporating 1,3- and 1,4-benzenedipyrazolate Energy & Environmental Science, 2010, 3, 117 |
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