Crystallography Open Database
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COD ID  |
Links | Formula |
Space group |
Cell parameters | Cell volume  |
Bibliography |
|---|---|---|---|---|---|---|
| 7152130 | CIF | C6 H7 F O3 | P 1 | 5.1716; 5.2806; 6.082 68.403; 67.501; 80.743 | 142.64 | Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride. Organic & biomolecular chemistry, 2012, 10, 394-403 |
| 7155755 | CIF | C3 Br N | P 1 21/m 1 | 5.095; 6.1734; 6.2035 90; 95.735; 90 | 194.14 | Ligny, Romain; Gauthier, Etienne S.; Yáñez, Manuel; Roisnel, Thierry; Guillemin, Jean-Claude; Trolez, Yann One-step synthesis of conjugated enynenitriles from bromocyanoacetylene. Organic & biomolecular chemistry, 2017 |
| 7157817 | CIF | C8 H10 O4 S2 | P -1 | 5.3453; 6.6576; 6.9904 86.1628; 88.9324; 82.6823 | 246.174 | Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru <i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery. Organic & biomolecular chemistry, 2021, 19, 446-456 |
| 7153431 | CIF | C9 H15 N O7 S | P 1 | 6.0756; 6.6423; 7.3505 80.5318; 84.2434; 89.0269 | 291.12 | Wyszynski, Filip J.; Thompson, Amber L.; Davis, Benjamin G. Inverted regioselectivity of C-H amination: Unexpected oxidation at beta- rather than gamma-C-H. Organic & biomolecular chemistry, 2010, 8, 4246-4248 |
| 7157750 | CIF | C11 H13 Cl N4 O | P 1 | 4.4944; 5.4263; 12.2978 97.735; 94.192; 92.2 | 296.04 | Zhang, Yanhua; Lin, Yun; Hou, Qianqian; Liu, Xi; Pricl, Sabrina; Peng, Ling; Xia, Yi Novel aryltriazole acyclic C-azanucleosides as anticancer candidates. Organic & biomolecular chemistry, 2020, 18, 9689-9699 |
| 7154784 | CIF | C6 H7 F O2 | P -1 | 5.391; 5.4434; 11.1433 84.283; 78.772; 68.545 | 298.37 | Goh, Yi Ling; Adsool, Vikrant A. Radical fluorination powered expedient synthesis of 3-fluorobicyclo[1.1.1]pentan-1-amine. Organic & biomolecular chemistry, 2015, 13, 11597-11601 |
| 7152121 | CIF | C6 H8 O4 | P 1 21 1 | 6.1357; 5.1847; 9.4064 90; 93.064; 90 | 298.81 | Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride. Organic & biomolecular chemistry, 2012, 10, 394-403 |
| 7152126 | CIF | C6 H7 F O3 | P 1 21 1 | 6.1181; 7.1297; 6.9272 90; 94.628; 90 | 301.18 | Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride. Organic & biomolecular chemistry, 2012, 10, 394-403 |
| 7152120 | CIF | C6 H8 O4 | P 1 21 1 | 6.6936; 7.0452; 6.707 90; 99.357; 90 | 312.08 | Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride. Organic & biomolecular chemistry, 2012, 10, 394-403 |
| 7150420 | CIF | C11 H19 N O4 | P 1 | 5.989; 6.651; 8.661 70.749; 77.415; 86.976 | 317.81 | Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides. Organic & biomolecular chemistry, 2006, 4, 1166-1173 |
| 7157816 | CIF | C7 H4 Br N | C 1 m 1 | 9.4437; 8.5227; 4.0482 90; 91.2214; 90 | 325.749 | Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru <i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery. Organic & biomolecular chemistry, 2021, 19, 446-456 |
| 7158980 | CIF | C12 H13 F3 N2 O5 | P 1 | 4.9797; 6.2209; 11.7288 76.575; 80.995; 77.331 | 342.66 | Sharma, Nagendra K.; Gupta, Manish Kumar New Amino acid, Hybrid Peptides and BODIPY Analogs: Synthesis and Evaluation of 2-Aminotroponyl-L-Alanine (ATA) Derivatives Organic & Biomolecular Chemistry, 2022 |
| 7150867 | CIF | C6 H6 B Br O2 | P -1 | 4.957; 7.056; 10.7572 95.766; 92.219; 96.613 | 371.37 | Filthaus, Matthias; Oppel, Iris M.; Bettinger, Holger F. Supramolecular structures and spontaneous resolution: the case of ortho-substituted phenylboronic acids Organic & Biomolecular Chemistry, 2008, 6, 1201-1207 |
| 7151304 | CIF | C13 H23 N3 O3 | P 1 | 5.8431; 7.9668; 9.1733 114.831; 97.043; 99.449 | 373.43 | Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan Structural studies of model peptides containing ?-, ?- and ?-amino acids Organic & Biomolecular Chemistry, 2006, 4, 4214 |
| 7152640 | CIF | C7 H12 N2 O2 | P -1 | 5.65; 7.884; 9.777 110.051; 90.33; 109.728 | 381.45 | Ha, Khanh; Monbaliu, Jean-Christophe M; Williams, Byron C.; Pillai, Girinath G.; Ocampo, Charles E.; Zeller, Matthias; Stevens, Christian V.; Katritzky, Alan R. A convenient synthesis of difficult medium-sized cyclic peptides by Staudinger mediated ring-closure. Organic & biomolecular chemistry, 2012, 10, 8055-8058 |
| 7150652 | CIF | C15 H23 N O5 | P 1 | 6.1541; 7.9492; 8.6988 71.93; 70.89; 83 | 382.17 | Mathieson, Jennifer E.; Crawford, James J.; Schmidtmann, Marc; Marquez, Rodolfo Fast and efficient one step synthesis of dienamides Organic & Biomolecular Chemistry, 2009, 7, 2170-2175 |
| 7156507 | CIF | C6 H2 N8 O2 | P 1 21/n 1 | 5.7793; 11.6585; 5.7805 90; 100.28; 90 | 383.23 | Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties. Organic & biomolecular chemistry, 2018, 16, 8034-8037 |
| 7153691 | CIF | C15 H26 O3 S | P 1 | 5.29; 6.432; 12.429 86.64; 88.36; 65.8 | 385.068 | Carroccia, Laura; Degennaro, Leonardo; Romanazzi, Giuseppe; Cuocci, Corrado; Pisano, Luisa; Luisi, Renzo Straightforward access to 4-membered sulfurated heterocycles: introducing a strategy for the single and double functionalization of thietane 1-oxide. Organic & biomolecular chemistry, 2014, 12, 2180-2184 |
| 7157773 | CIF | C17 H19 N O3 S | P 1 | 5.9286; 8.2863; 8.6201 109.21; 90.208; 103.829 | 386.74 | Yang, Shuang; Chen, Yuhang; Yuan, Zidan; Bu, Feiyu; Jiang, Cheng; Ding, Zhenhua Divergent synthesis of oxazolidines and morpholines <i>via</i> PhI(OAc)<sub>2</sub>-mediated difunctionalization of alkenes. Organic & biomolecular chemistry, 2020, 18, 9873-9882 |
| 7158553 | CIF | C7 H10 O4 | P -1 | 5.2698; 7.5782; 10.1856 100.249; 91.298; 98.547 | 395.33 | BRAIA, Nabila; Merabet-Khelassi, Mounia; TOFFANO, martial; Guillot, Régis; Aribi-Zouioueche, Louisa Access to valuable building blocks by regio-and enantioselective ring-opening of itaconic anhydride using lipase catalysis. Organic & Biomolecular Chemistry, 2022 |
| 7155208 | CIF | C7 H3 Br F N O3 | P 1 21 1 | 4.9191; 6.2146; 13.1151 90; 95.211; 90 | 399.27 | Close, Adam J.; Jones, Rhiannon N.; Ocasio, Cory A.; Kemmitt, Paul; Roe, S. Mark; Spencer, John Elaboration of tetra-orthogonally-substituted aromatic scaffolds towards novel EGFR-kinase inhibitors. Organic & biomolecular chemistry, 2016, 14, 8246-8252 |
| 7153936 | CIF | C10 H6 O4 | P 1 21/c 1 | 6.1142; 12.283; 5.6061 90; 107.7; 90 | 401.09 | Korshin, Edward E.; Leitus, Gregory M.; Bendikov, Michael Convenient access to readily soluble symmetrical dialkyl-substituted α-oligofurans. Organic & biomolecular chemistry, 2014, 12, 6661-6671 |
| 7156136 | CIF | C7 H11 N3 O | P 1 21 1 | 5.5524; 7.337; 9.871 90; 91.581; 90 | 402 | Halder, Joydev; Das, Debabrata; Nanda, Samik A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters. Organic & biomolecular chemistry, 2018, 16, 2549-2575 |
| 7151043 | CIF | C5 H11 Cl N4 O | P 1 21 1 | 5.1589; 10.5387; 7.4162 90; 93.901; 90 | 402.27 | Tan, T. H. Samuel; Worthington, Roberta J.; Pritchard, Robin G.; Morral, Jordi; Micklefield, Jason Homopolymeric pyrrolidine-amide oligonucleotide mimics: Fmoc-synthesis and DNA/RNA binding properties. Organic & biomolecular chemistry, 2007, 5, 239-248 |
| 7150360 | CIF | C5 H5 N9 | P -1 | 5.7327; 7.6069; 10.45 96.967; 104.847; 109.68 | 403.83 | Allan, Robin D.; Greenwood, Jeremy R.; Hambley, Trevor W.; Hanrahan, Jane R.; Hibbs, David E.; Itani, Samia; Tran, Hue W.; Turner, Peter Studies on pyridazine azide cyclisation reactions. Organic & biomolecular chemistry, 2004, 2, 1782-1788 |
| 7150109 | CIF | C5 H11 N O5 S | P -1 | 7.3712; 7.4301; 9.0586 66.362; 87.942; 64.538 | 404.73 | Kenworthy, Martin N.; Taylor, Richard J. K. Tethered aminohydroxylation using acyclic homo-allylic sulfamate esters and sulfonamides as substrates. Organic & biomolecular chemistry, 2005, 3, 603-611 |
| 7154955 | CIF | C8 H7 N3 O2 | P -1 | 5.7205; 7.824; 9.811 72.891; 85.142; 74.695 | 404.78 | Patel, Shyam Sunder; Chandna, Nisha; Kumar, Shreemoyee; Jain, Nidhi I2 mediated synthesis of 5-substituted-3-methyl/benzyl-1,3,4-oxadiazol-2(3H)-ones via sequential condensation/oxidative cyclization and rearrangement. Organic & biomolecular chemistry, 2016, 14, 5683-5689 |
| 7151577 | CIF | C7 H10 N2 O5 | P 1 21 1 | 6.9444; 6.4862; 9.16 90; 99.437; 90 | 407.01 | Vogensen, Stine B.; Greenwood, Jeremy R.; Varming, Annemarie R.; Brehm, Lotte; Pickering, Darryl S.; Nielsen, Birgitte; Liljefors, Tommy; Clausen, Rasmus P.; Johansen, Tommy N.; Krogsgaard-Larsen, Povl A stereochemical anomaly: the cyclised (R)-AMPA analogue (R)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid [(R)-5-HPCA] resembles (S)-AMPA at glutamate receptors. Organic & biomolecular chemistry, 2004, 2, 206-213 |
| 7154066 | CIF | C18 H16 O4 S2 | P -1 | 4.8906; 9.361; 9.693 104.639; 101.792; 100.598 | 407.1 | Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands. Organic & biomolecular chemistry, 2014, 12, 8752-8763 |
| 7150492 | CIF | C20 H16 N4 O4 | P -1 | 3.842; 9.062; 12.098 87.23; 81.25; 78.18 | 407.41 | Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5 Organic & Biomolecular Chemistry, 2003, 1, 1425 |
| 7153243 | CIF | C17 H22 O5 S | P 1 | 7.6102; 8.2782; 8.3471 111.026; 99.798; 115.264 | 410.05 | O'Byrne, Aisling; Murray, Cian; Keegan, Dearbhla; Palacio, Carole; Evans, Paul; Morgan, Ben S. The thio-adduct facilitated, enzymatic kinetic resolution of 4-hydroxycyclopentenone and 4-hydroxycyclohexenone. Organic & biomolecular chemistry, 2010, 8, 539-545 |
| 7155013 | CIF | C9 H5 Cl N2 O2 | P -1 | 6.6155; 7.022; 9.6435 82.132; 76.879; 71.863 | 413.54 | Théveau, Laure; Schneider, Cédric; Querolle, Olivier; Meerpoel, Lieven; Levacher, Vincent; Hoarau, Christophe Synthesis and orthogonal functionalization of oxazolo[5',4':4,5]pyrano[2,3-b]pyridine by intra- and intermolecular Pd-catalyzed direct C-H bond heteroarylation. Organic & biomolecular chemistry, 2016, 14, 3459-3468 |
| 7150454 | CIF | C9 H14 O2 | P 1 21 1 | 6.1182; 6.6921; 10.181 90; 94.019; 90 | 415.82 | Amelia García Fraile; David G. Morris; Antonio García Martínez; Santiago de la Moya Cerero; Kenneth W. Muir; Karl S. Ryder; Enrique Teso Vilar Self-recognition and hydrogen bonding by polycyclic bridgehead monoalcohols Org. Biomol. Chem., 2003, 1, 700-704 |
| 7155012 | CIF | C9 H5 Cl N2 O2 | P -1 | 4.6985; 9.6719; 9.8461 111.248; 92.409; 91.899 | 416.09 | Théveau, Laure; Schneider, Cédric; Querolle, Olivier; Meerpoel, Lieven; Levacher, Vincent; Hoarau, Christophe Synthesis and orthogonal functionalization of oxazolo[5',4':4,5]pyrano[2,3-b]pyridine by intra- and intermolecular Pd-catalyzed direct C-H bond heteroarylation. Organic & biomolecular chemistry, 2016, 14, 3459-3468 |
| 7155026 | CIF | C18 H15 Br F3 N O | P 1 | 5.0171; 8.347; 10.439 101.211; 102.192; 91.033 | 418.4 | Ikeda, Kazunori; Futamura, Takashi; Hanakawa, Taisyun; Minakawa, Maki; Kawatsura, Motoi Palladium-catalyzed enantioselective allylic alkylation of trifluoromethyl group substituted racemic and acyclic unsymmetrical 1,3-disubstituted allylic esters with malonate anions. Organic & biomolecular chemistry, 2016, 14, 3501-3505 |
| 7150172 | CIF | C16 H22 N2 O5 | P 1 | 5.108; 5.71; 14.903 79.659; 81.128; 89.62 | 422.4 | Dutt, Anita; Drew, Michael G. B.; Pramanik, Animesh beta-Sheet mediated self-assembly of dipeptides of omega-amino acids and remarkable fibrillation in the solid state. Organic & biomolecular chemistry, 2005, 3, 2250-2254 |
| 7151726 | CIF | C8 H13 N O3 | P 1 21 1 | 6.0046; 6.104; 12.099 90; 103.144; 90 | 431.84 | Franklin, Andrew I.; Bensa, David; Adams, Harry; Coldham, Iain Transannular dipolar cycloaddition as an approach towards the synthesis of the core ring system of the sarain alkaloids. Organic & biomolecular chemistry, 2011, 9, 1901-1907 |
| 7150289 | CIF | C9 H12 Se | P -1 | 7.325; 8.283; 8.758 62.64; 84.18; 67.59 | 434.5 | Ford, Susan; Hofmann, Marco; Morley, Christopher P.; Roberts, John L.; Di Vaira, Massimo Tetramethylcyclopentadienylselenium derivatives. Organic & biomolecular chemistry, 2005, 3, 3990-3995 |
| 7159755 | CIF | C5 H5 O2 | C 1 m 1 | 6.3968; 15.9612; 4.3338 90; 100.453; 90 | 435.14 | Darole, Ratanamala S.; Choudhary, Shailendra Singh; Sharma, Himanshu; Mali, Bhupendra P.; Gopu, Booblan; Vanka, Kumar; Senthilkumar, Beeran Brønsted acid- and Ni(II)-catalyzed C-H oxidation/rearrangement of cyclotriveratrylenes (CTVs) to cyclic and acyclic quinones as potential anti-cancer agents. Organic & biomolecular chemistry, 2024, 22, 1038-1046 |
| 7155484 | CIF | C20 H14 N4 O4 | P -1 | 4.673; 7.018; 13.709 77.037; 86.712; 86.883 | 437 | Matsubara, Ryosuke; Eguchi, Shuhei; Ando, Akihiro; Hayashi, Masahiko Synthesis of alkynyl furoxans. Rare carbon-carbon bond-forming reaction on a furoxan ring. Organic & biomolecular chemistry, 2017, 15, 1965-1969 |
| 7154565 | CIF | C14 H18 N2 S6 | P -1 | 4.4366; 7.095; 14.0927 91.198; 95.948; 97.185 | 437.49 | Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D. Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors. Organic & biomolecular chemistry, 2015, 13, 8479-8486 |
| 7155828 | CIF | C9 H9 N3 O2 | P 1 n 1 | 3.8441; 14.0818; 8.2393 90; 101.091; 90 | 437.68 | Sarkar, Sujan K.; Gatlin, DeVonna M; Das, Anushree; Loftin, Breyinn; Krause, Jeanette; Abe, Manabu; Gudmundsdottir , Anna Laser flash photolysis of nanocrystalline α-azido-p-methoxy-acetophenone Org. Biomol. Chem., 2017 |
| 7157919 | CIF | C7 H13 N3 O3 | P 1 21 1 | 10.14; 4.0229; 10.8744 90; 98.89; 90 | 438.26 | Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles. Organic & biomolecular chemistry, 2021, 19, 2784-2793 |
| 7151027 | CIF | C12 H10 O2 | P -1 | 6.589; 7.55; 9.691 97.609; 103.781; 106 | 439.8 | Ramachary, Dhevalapally B.; Reddy, Y. Vijayendar; Kishor, Mamillapalli Multi-catalysis reactions: direct organocatalytic sequential one-pot synthesis of highly functionalized cyclopenta[b]chromen-1-ones Organic & Biomolecular Chemistry, 2008, 6, 4188-4197 |
| 7151929 | CIF | C11 H10 O2 | P -1 | 6.352; 7.033; 10.437 83.301; 77.06; 77.613 | 442.7 | Nair, Vijay; Sinu, C. R.; Rejithamol, R.; Seetha Lakshmi, K. C.; Suresh, Eringathodi A novel NHC-catalyzed transformation of 2H-chromene-3-carboxaldehydes to 3-methyl-2H-chromen-2-ones. Organic & biomolecular chemistry, 2011, 9, 5511-5514 |
| 7153258 | CIF | C8 H14 N2 O2 | P -1 | 6.9; 7.365; 8.819 83.78; 86.06; 84.78 | 442.9 | Thiverny, Maryse; Philouze, Christian; Chavant, Pierre Yves; Blandin, Véronique MiPNO, a new chiral cyclic nitrone for enantioselective amino acid synthesis: the cycloaddition approach. Organic & biomolecular chemistry, 2010, 8, 864-872 |
| 7159825 | CIF | C1.54 H1.38 N0.46 | P -1 | 6.3402; 7.4033; 10.8259 102.832; 92.959; 114.223 | 445.98 | Pal, Koustav; Srinivasu, Vinjamuri; Biswas, Sourabh; Sureshkumar, Devarajulu Visible light-induced organo-photocatalyzed route to synthesize substituted pyrazoles. Organic & biomolecular chemistry, 2024, 22, 2384-2388 |
| 7152008 | CIF | C10 H11 N O2 | P 1 21 1 | 8.4105; 5.6321; 10.022 90; 107.78; 90 | 452.05 | Devi, Rema B.; Henrot, Matthias; De Paolis, Michaël; Maddaluno, Jacques Domino alkylation/oxa-Michael of 1,3-cyclohexanediones: Steering the C/O-chemoselectivity to reach tetrahydrobenzofuranones. Organic & biomolecular chemistry, 2011, 9, 6509-6512 |
| 7150888 | CIF | C19 H24 N4 O2 | P 1 | 4.675; 9.497; 10.809 76.78; 81.59; 77.55 | 453.8 | Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles Propensity for local folding induced by the urea fragment in short-chain oligomers Organic & Biomolecular Chemistry, 2008, 6, 2596-2610 |
| 7153666 | CIF | C10 H10 Cl2 | P 1 21 1 | 7.4192; 7.6708; 8.1477 90; 101.304; 90 | 454.7 | Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J. Reactions of enantiopure cyclic diols with sulfuryl chloride. Organic & biomolecular chemistry, 2014, 12, 2128-2136 |
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