Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1100588 | CIF | C26 H38 S Sn | P 1 21/c 1 | 10.667; 29.67; 15.9184 90; 90.768; 90 | 5037.56 | Hoffmann, Reinhard W.; Koberstein, Ralf; Harms, Klaus Chiral organometallic reagents. Part XXIII. On the stereochemistry of the carbolithiation reaction of vinyl sulfides Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1999, 183-192 |
| 1100589 | CIF | C24 H32 S | C 1 2/c 1 | 39.963; 6.056; 18.185 90; 112.21; 90 | 4074.52 | Hoffmann, Reinhard W.; Koberstein, Ralf; Harms, Klaus Chiral organometallic reagents. Part XXIII. On the stereochemistry of the carbolithiation reaction of vinyl sulfides Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1999, 183-192 |
| 1100590 | CIF | C30 H36 O S | P -1 | 10.621; 10.918; 11.842 77.56; 67.2; 81.25 | 1232.58 | Hoffmann, Reinhard W.; Koberstein, Ralf; Harms, Klaus Chiral organometallic reagents. Part XXIII. On the stereochemistry of the carbolithiation reaction of vinyl sulfides Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1999, 183-192 |
| 1100591 | CIF | C30 H36 O S | P b c a | 13.613; 16.073; 22.718 90; 90; 90 | 4970.74 | Hoffmann, Reinhard W.; Koberstein, Ralf; Harms, Klaus Chiral organometallic reagents. Part XXIII. On the stereochemistry of the carbolithiation reaction of vinyl sulfides Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1999, 183-192 |
| 5000061 | CIF | C70 H76 O8 | C 1 2 1 | 17.27; 12.565; 14.353 90; 109.49; 90 | 2936.1 | Toda, Fumio; Tanaka, Koichi; Stein, Zafra; Goldberg, Israel Structure and inclusion characteristics of (R,R)-(‒)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol Journal of the Chemical Society, Perkin Transactions 2, 1993, 2359-2361 |
| 5000137 | CIF | C13 H21 N2 O5 P | P 1 21/c 1 | 12.64; 29.11; 8.847 90; 107.37; 90 | 3106.81 | Weber, Hans Peter; Petcher, Trevor J. Crystal structures of the Teonanácatl hallucinogens. Part I. Psilocybin C~12~H~17~N~2~O~4~P Journal of the Chemical Society, Perkin Transactions 2, 1974, 942-946 |
| 5000141 | CIF | C7 H6 N2 O4 | P 1 21/n 1 | 8.126; 15.217; 12.998 90; 94.77; 90 | 1601.68 | Sarma, Jagarlapudi A. R. P.; Nagaraju, Akula Solid state nuclear bromination with N-bromosuccinimide. Part 1. Experimental and theoretical studies on some substituted aniline, phenol and nitro aromatic compounds Journal of the Chemical Society, Perkin Transactions 2, 2000, 1113-1118 |
| 5000189 | CIF | C12 H15 N3 O6 | P 1 21/a 1 | 9.226; 11.104; 14.622 90; 107.79; 90 | 1426.33 | Padmanabhan, Kaillathe; Döpp, Dietrich; Venkatesan, Kailasam; Ramamurthy, Vaidyanathan Solid-state photochemistry of nitro compounds: structure-reactivity correlations Journal of the Chemical Society, Perkin Transactions 2, 1986, 897-906 |
| 7203850 | CIF | C11 H22 N O4 P | P 1 21/c 1 | 14.4667; 8.2687; 12.4192 90; 91.225; 90 | 1485.26 | Chalier, Florence; Tordo, Paul 5-Diisopropoxyphosphoryl-5-methyl-1-pyrroline N-oxide, DIPPMPO, a crystalline analog of the nitrone DEPMPO: synthesis and spin trapping propertiesElectronic supplementary information (ESI) available: Tables of crystallographic data. See http://www.rsc.org/suppdata/p2/b2/b206909c/ Journal of the Chemical Society, Perkin Transactions 2, 2002, 2110 |
| 7203852 | CIF | C29 H49 N O6 | P 31 | 18.275; 18.275; 7.383 90; 90; 120 | 2135.4 | Sofia Candeloro De Sanctis; Angelo A. D'Archivio; Luciano Galantini; Enrico Gavuzzo; Edoardo Giglio On the role of hydronium ions in the protonated micellar aggregates of bile salts J. Chem. Soc., Perkin Trans. 2, 2000, 403-407 |
| 7203853 | CIF | C26 H49 N O8 S | P 1 21 1 | 9.965; 8.132; 17.301 90; 90.9; 90 | 1401.8 | Sofia Candeloro De Sanctis; Angelo A. D'Archivio; Luciano Galantini; Enrico Gavuzzo; Edoardo Giglio On the role of hydronium ions in the protonated micellar aggregates of bile salts J. Chem. Soc., Perkin Trans. 2, 2000, 403-407 |
| 7203854 | CIF | C26 H49 N O8 S | P 1 21 1 | 9.659; 8.334; 17.308 90; 91.18; 90 | 1393 | Sofia Candeloro De Sanctis; Angelo A. D'Archivio; Luciano Galantini; Enrico Gavuzzo; Edoardo Giglio On the role of hydronium ions in the protonated micellar aggregates of bile salts J. Chem. Soc., Perkin Trans. 2, 2000, 403-407 |
| 7203855 | CIF | C3 H7 N S | P 21 21 21 | 4.7487; 5.9711; 17.017 90; 90; 90 | 482.52 | Borrmann, Horst; Persson, Ingmar; Sandström, Magnus; Stlhandske, Christina M. V. The crystal and liquid structures of N,N-dimethylthioformamide and N,N-dimethylformamide showing a stronger hydrogen bonding effect for C‒H · · · S than for C‒H · · · O † Journal of the Chemical Society, Perkin Transactions 2, 2000, 393 |
| 7203856 | CIF | C3 H7 N O | P -1 | 5.9455; 7.0042; 10.4041 77.238; 88.132; 75.28 | 408.56 | Borrmann, Horst; Persson, Ingmar; Sandström, Magnus; Stlhandske, Christina M. V. The crystal and liquid structures of N,N-dimethylthioformamide and N,N-dimethylformamide showing a stronger hydrogen bonding effect for C‒H · · · S than for C‒H · · · O † Journal of the Chemical Society, Perkin Transactions 2, 2000, 393 |
| 7203857 | CIF | C21 H32 N2 O6 | P 21 21 21 | 13.288; 27.298; 6.235 90; 90; 90 | 2262 | Kozsda-Kovács, Éva; Keserü, György Miklós; Böcskei, Zsolt; Szilágyi, Ildikó; Simon, Kálmán; Bertók, Béla; Fogassy, Elemér Role of the solvent in optical resolution of trans-chrysanthemic acid via diastereomeric salt formation with (1R,2R)-1-(4-nitrophenyl)-2-dimethylaminopropane-1,3-diol Journal of the Chemical Society, Perkin Transactions 2, 2000, 149 |
| 7203858 | CIF | C22 H36 N2 O7 | P 21 21 21 | 13.209; 26.587; 7.218 90; 90; 90 | 2535 | Kozsda-Kovács, Éva; Keserü, György Miklós; Böcskei, Zsolt; Szilágyi, Ildikó; Simon, Kálmán; Bertók, Béla; Fogassy, Elemér Role of the solvent in optical resolution of trans-chrysanthemic acid via diastereomeric salt formation with (1R,2R)-1-(4-nitrophenyl)-2-dimethylaminopropane-1,3-diol Journal of the Chemical Society, Perkin Transactions 2, 2000, 149 |
| 7203859 | CIF | C21 H32 N2 O6 | P 1 21 1 | 9.923; 7.658; 15.573 90; 107.02; 90 | 1132 | Kozsda-Kovács, Éva; Keserü, György Miklós; Böcskei, Zsolt; Szilágyi, Ildikó; Simon, Kálmán; Bertók, Béla; Fogassy, Elemér Role of the solvent in optical resolution of trans-chrysanthemic acid via diastereomeric salt formation with (1R,2R)-1-(4-nitrophenyl)-2-dimethylaminopropane-1,3-diol Journal of the Chemical Society, Perkin Transactions 2, 2000, 149 |
| 7203862 | CIF | C23 H15 Br O2 | P b c a | 18.062; 19.795; 9.931 90; 90; 90 | 3550.7 | Oshima, Takumi; Tamada, Kazushi; Tamura, Hatsue; Nagai, Toshikazu Kinetic study of thermolysis of diarylhomonaphthoquinones. Endo/exo substituent and solvent effects Journal of the Chemical Society, Perkin Transactions 2, 2000, 135 |
| 7203863 | CIF | ? | P 1 21 1 | 12.121; 6.319; 10.882 90; 102.69; 90 | 813.1 | Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network † Journal of the Chemical Society, Perkin Transactions 2, 2000, 111 |
| 7203864 | CIF | ? | P 1 21 1 | 12.294; 6.388; 11.134 90; 103.71; 90 | 849.5 | Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network † Journal of the Chemical Society, Perkin Transactions 2, 2000, 111 |
| 7203865 | CIF | ? | P 1 21 1 | 14.584; 6.175; 10.852 90; 107.8; 90 | 930.5 | Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network † Journal of the Chemical Society, Perkin Transactions 2, 2000, 111 |
| 7203866 | CIF | ? | P 1 21 1 | 12.351; 6.17; 11.431 90; 99.1; 90 | 860.1 | Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network † Journal of the Chemical Society, Perkin Transactions 2, 2000, 111 |
| 7203867 | CIF | ? | P 1 21 1 | 16.848; 5.947; 8.58 90; 101.75; 90 | 841.7 | Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network † Journal of the Chemical Society, Perkin Transactions 2, 2000, 111 |
| 7203868 | CIF | ? | A 1 2 1 | 17.045; 6.148; 17.931 90; 101.22; 90 | 1843.1 | Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network † Journal of the Chemical Society, Perkin Transactions 2, 2000, 111 |
| 7203869 | CIF | ? | C 1 2 1 | 19.831; 5.786; 16.453 90; 110.57; 90 | 1767.5 | Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network † Journal of the Chemical Society, Perkin Transactions 2, 2000, 111 |
| 7203870 | CIF | ? | P 1 21 1 | 15.787; 6.3359; 9.353 90; 99.428; 90 | 922.9 | Kinbara, Kazushi; Kobayashi, Yuka; Saigo, Kazuhiko Chiral discrimination of 2-arylalkanoic acids by (1S,2R)-1-aminoindan-2-ol through the formation of a consistent columnar supramolecular hydrogen-bond network † Journal of the Chemical Society, Perkin Transactions 2, 2000, 111 |
| 7203871 | CIF | C16 H24 N2 | P b c a | 8.4201; 16.681; 21.656 90; 90; 90 | 3041.7 | Kuhn, Norbert; Kotowski, Heike; Steimann, Manfred; Speiser, Bernd; Würde, Marc; Henkel, Gerald Synthesis, oxidation and protonation of octamethyl-1,1'-bipyrrole Journal of the Chemical Society, Perkin Transactions 2, 2000, 353 |
| 7203872 | CIF | C16 H25 I4 N2 | P -1 | 8.376; 11.618; 12.271 86.16; 84.31; 72.48 | 1132.2 | Kuhn, Norbert; Kotowski, Heike; Steimann, Manfred; Speiser, Bernd; Würde, Marc; Henkel, Gerald Synthesis, oxidation and protonation of octamethyl-1,1'-bipyrrole Journal of the Chemical Society, Perkin Transactions 2, 2000, 353 |
| 7203873 | CIF | C29 H23 O3 P | P 1 21/n 1 | 12.915; 10.298; 17.648 90; 101.08; 90 | 2303.4 | Aitken, R. Alan; Karodia, Nazira; Lightfoot, Philip The solid state conformation of oxo stabilised ylides: X-ray structures of four new polyoxo phosphorus ylides Journal of the Chemical Society, Perkin Transactions 2, 2000, 333 |
| 7203874 | CIF | C35.5 H26 Cl O4 P | P -1 | 11.681; 14.54; 10.415 101.15; 115.38; 91.95 | 1554.3 | Aitken, R. Alan; Karodia, Nazira; Lightfoot, Philip The solid state conformation of oxo stabilised ylides: X-ray structures of four new polyoxo phosphorus ylides Journal of the Chemical Society, Perkin Transactions 2, 2000, 333 |
| 7203875 | CIF | C48 H38 Cl6 O8 P2 | P -1 | 10.08; 14.23; 17.18 85.5; 81.4; 76.2 | 2364 | Aitken, R. Alan; Karodia, Nazira; Lightfoot, Philip The solid state conformation of oxo stabilised ylides: X-ray structures of four new polyoxo phosphorus ylides Journal of the Chemical Society, Perkin Transactions 2, 2000, 333 |
| 7203876 | CIF | C55.75 H44 O4 P2 | C 1 c 1 | 32.65; 15.601; 19.141 90; 102.95; 90 | 9502 | Aitken, R. Alan; Karodia, Nazira; Lightfoot, Philip The solid state conformation of oxo stabilised ylides: X-ray structures of four new polyoxo phosphorus ylides Journal of the Chemical Society, Perkin Transactions 2, 2000, 333 |
| 7203877 | CIF | C9 H12 B N O4 | P 1 21 1 | 5.3472; 7.3229; 12.1705 90; 102.379; 90 | 465.48 | Shull, Brian K.; Spielvogel, David E.; Gopalaswamy, Ramesh; Sankar, Sabapathy; Boyle, Paul D.; Head, Gerald; Devito, Kevin Evidence for spontaneous, reversible paracyclophane formation. Aprotic solution structure of the boron neutron capture therapy drug, L-p-boronophenylalanine Journal of the Chemical Society, Perkin Transactions 2, 2000, 557 |
| 7203878 | CIF | C38 H70 N8 O12 | P 21 21 21 | 17.646; 23.396; 11.5285 90; 90; 90 | 4759.5 | Cusack, Rodney M.; Grøndahl, Lisbeth; Abbenante, Giovanni; Fairlie, David P.; Gahan, Lawrence R.; Hanson, Graeme R.; Hambley, Trevor W. Conformations of cyclic octapeptides and the influence of heterocyclic ring constraints upon calcium binding † Journal of the Chemical Society, Perkin Transactions 2, 2000, 323 |
| 7203881 | CIF | ? | P 1 21/c 1 | 9.658; 15.375; 9.975 90; 103; 90 | 1443.24 | Tapuhi, Yitzhak; Rachel Suissa, Michal; Cohen, Shmuel; Biedermann, P. Ulrich; Levy, Amalia; Agranat, Israel The stereochemistry of overcrowded homomerous bistricyclic aromatic enes with alkylidene bridges Journal of the Chemical Society, Perkin Transactions 2, 2000, 93 |
| 7203882 | CIF | ? | P 1 21/n 1 | 12.139; 8.26; 11.816 90; 90; 90 | 1184.77 | Tapuhi, Yitzhak; Rachel Suissa, Michal; Cohen, Shmuel; Biedermann, P. Ulrich; Levy, Amalia; Agranat, Israel The stereochemistry of overcrowded homomerous bistricyclic aromatic enes with alkylidene bridges Journal of the Chemical Society, Perkin Transactions 2, 2000, 93 |
| 7203883 | CIF | C22 H24 Cl N O | P -1 | 8.7123; 9.3; 13.4414 88.445; 75.459; 64.682 | 948.9 | Moisés Canle L.; William Clegg; Ibrahim Demirtas; Mark R. J. Elsegood; Howard Maskill Preparations, X-ray crystal structure determinations, and base strength measurements of substituted tritylamines J. Chem. Soc., Perkin Trans. 2, 2000, 85-92 |
| 7203884 | CIF | C22 H21 N O2 | C 1 2/c 1 | 16.574; 12.5221; 17.769 90; 105.757; 90 | 3549.2 | Moisés Canle L.; William Clegg; Ibrahim Demirtas; Mark R. J. Elsegood; Howard Maskill Preparations, X-ray crystal structure determinations, and base strength measurements of substituted tritylamines J. Chem. Soc., Perkin Trans. 2, 2000, 85-92 |
| 7203885 | CIF | C21 H19 N O2 | P 21 21 21 | 9.229; 9.6725; 18.7 90; 90; 90 | 1669.3 | Moisés Canle L.; William Clegg; Ibrahim Demirtas; Mark R. J. Elsegood; Howard Maskill Preparations, X-ray crystal structure determinations, and base strength measurements of substituted tritylamines J. Chem. Soc., Perkin Trans. 2, 2000, 85-92 |
| 7203886 | CIF | C22 H23 N O3 | P 1 21/c 1 | 10.497; 18.498; 19.597 90; 102.78; 90 | 3711 | Moisés Canle L.; William Clegg; Ibrahim Demirtas; Mark R. J. Elsegood; Howard Maskill Preparations, X-ray crystal structure determinations, and base strength measurements of substituted tritylamines J. Chem. Soc., Perkin Trans. 2, 2000, 85-92 |
| 7203890 | CIF | C13 H19 N O4 S | P 1 21/n 1 | 10.251; 9.291; 14.606 90; 104.329; 90 | 1347.8 | Sohár, Pál; Forró, Enik; Lázár, László; Bernáth, Gábor; Sillanpää, Reijo; Fülöp, Ferenc Synthesis and stereochemistry of stereoisomeric 1,2,3-oxathiazino[4,3-a]isoquinolines Journal of the Chemical Society, Perkin Transactions 2, 2000, 287 |
| 7203891 | CIF | C14 H19 N O4 S | P -1 | 9.239; 10.0433; 8.7398 96.68; 112.885; 81.562 | 737.48 | Sohár, Pál; Forró, Enik; Lázár, László; Bernáth, Gábor; Sillanpää, Reijo; Fülöp, Ferenc Synthesis and stereochemistry of stereoisomeric 1,2,3-oxathiazino[4,3-a]isoquinolines Journal of the Chemical Society, Perkin Transactions 2, 2000, 287 |
| 7203892 | CIF | C14 H19 N O4 S | P -1 | 8.3082; 12.308; 7.5713 105.084; 92.26; 104.576 | 718.91 | Sohár, Pál; Forró, Enik; Lázár, László; Bernáth, Gábor; Sillanpää, Reijo; Fülöp, Ferenc Synthesis and stereochemistry of stereoisomeric 1,2,3-oxathiazino[4,3-a]isoquinolines Journal of the Chemical Society, Perkin Transactions 2, 2000, 287 |
| 7203894 | CIF | C24 H25 N2 O3 P | P 1 21/c 1 | 12.437; 9.569; 19.543 90; 106.9; 90 | 2225.4 | Stefania Canestrari; Alexander Mar'in; Paolo Sgarabotto; Lara Righi; Lucedio Greci New insights on the reaction of trialkyl phosphites with 2-phenyl-3-phenylimino-3H-indole N-oxide: an indolic nitrone. Crystal structures of 1-diethylphosphoryl-2-phenyl-3-phenylamino-1H-indole and 2-phenyl-4-phenylimino-4H-3,1-benzoxazine J. Chem. Soc., Perkin Trans. 2, 2000, 833-838 |
| 7203895 | CIF | C20 H14 N2 O | P 1 21/c 1 | 10.627; 4.667; 30.968 90; 93; 90 | 1533.8 | Stefania Canestrari; Alexander Mar'in; Paolo Sgarabotto; Lara Righi; Lucedio Greci New insights on the reaction of trialkyl phosphites with 2-phenyl-3-phenylimino-3H-indole N-oxide: an indolic nitrone. Crystal structures of 1-diethylphosphoryl-2-phenyl-3-phenylamino-1H-indole and 2-phenyl-4-phenylimino-4H-3,1-benzoxazine J. Chem. Soc., Perkin Trans. 2, 2000, 833-838 |
| 7203896 | CIF | C18 H28 N2 | P 21 21 2 | 10.7545; 11.0123; 6.8433 90; 90; 90 | 810.46 | von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes Journal of the Chemical Society, Perkin Transactions 2, 2000, 175 |
| 7203897 | CIF | C19 H35.5 N2 O4.06 | P -1 | 11.1299; 12.4995; 15.52 101.348; 93.019; 102.137 | 2059.6 | von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes Journal of the Chemical Society, Perkin Transactions 2, 2000, 175 |
| 7203898 | CIF | C21 H34 N2 | C 1 2/c 1 | 30.666; 12.356; 15.188 90; 91.13; 90 | 5754 | von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes Journal of the Chemical Society, Perkin Transactions 2, 2000, 175 |
| 7203899 | CIF | C22 H36 N2 | F d d 2 | 16.5939; 28.3186; 8.6029 90; 90; 90 | 4042.6 | von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes Journal of the Chemical Society, Perkin Transactions 2, 2000, 175 |
| 7203900 | CIF | C23 H38 N2 | F d d 2 | 16.0954; 33.2375; 7.8746 90; 90; 90 | 4212.68 | von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes Journal of the Chemical Society, Perkin Transactions 2, 2000, 175 |
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