Crystallography Open Database
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Searching journal of publication like 'Chemical science' volume of publication is 11
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1557396 | CIF | C30 H26 B Br | P 1 21/c 1 | 16.2062; 8.1904; 17.137 90; 91.218; 90 | 2274.2 | Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J. The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies Chemical Science, 2020, 11, 3258-3267 |
| 1557397 | CIF | C36 H36 B Br | P -1 | 8.4803; 9.1672; 19.9099 80.254; 85.195; 68.593 | 1419.82 | Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J. The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies Chemical Science, 2020, 11, 3258-3267 |
| 1557398 | CIF | C22 H26 B Br O2 | P 1 21/n 1 | 6.4265; 15.8695; 20.617 90; 97.511; 90 | 2084.6 | Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J. The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies Chemical Science, 2020, 11, 3258-3267 |
| 1557399 | CIF | C62 H78 B2 Br2 | P -1 | 9.4752; 9.8107; 15.1088 93.579; 100.145; 90.47 | 1379.57 | Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J. The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies Chemical Science, 2020, 11, 3258-3267 |
| 1557400 | CIF | C22 H26 B Br O2 | P c a 21 | 20.7096; 6.4384; 15.5735 90; 90; 90 | 2076.52 | Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J. The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies Chemical Science, 2020, 11, 3258-3267 |
| 1557401 | CIF | C14 H10 B Br3 | P 1 21/n 1 | 13.2781; 5.936; 18.4485 90; 100.58; 90 | 1429.37 | Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J. The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies Chemical Science, 2020, 11, 3258-3267 |
| 1557402 | CIF | C44 H42 B2 Br2 O2 | P c c n | 42.071; 29.3977; 6.6541 90; 90; 90 | 8229.7 | Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J. The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies Chemical Science, 2020, 11, 3258-3267 |
| 1557403 | CIF | C28 H22 B Br O | P 1 21/c 1 | 16.0697; 19.1015; 7.184 90; 99.697; 90 | 2173.7 | Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J. The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies Chemical Science, 2020, 11, 3258-3267 |
| 1557404 | CIF | C100 H108 B4 Br4 | P -1 | 8.0182; 16.5443; 17.4491 64.933; 86.117; 77.027 | 2042.2 | Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J. The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies Chemical Science, 2020, 11, 3258-3267 |
| 1557405 | CIF | C62 H56 B2 Br2 | P -1 | 9.836; 10.894; 14.514 82.02; 73.02; 71.06 | 1405.2 | Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J. The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies Chemical Science, 2020, 11, 3258-3267 |
| 1557406 | CIF | C64 H68 B2 Br2 | P -1 | 13.45; 14.624; 15.214 91.36; 92.15; 116.43 | 2675.1 | Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J. The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies Chemical Science, 2020, 11, 3258-3267 |
| 1557428 | CIF | C33 H27 N2 O2 P | P -1 | 10.6898; 11.775; 11.9913 71.708; 65.4407; 89.239 | 1291.4 | Zhuang, Zeyan; Dai, Jun; Yu, Maoxing; Li, Jianqing; Shen, Pingchuan; Hu, Rong; Lou, Xiaoding; Zhao, Zujin; Tang, Ben Zhong Type I photosensitizers based on phosphindole oxide for photodynamic therapy: apoptosis and autophagy induced by endoplasmic reticulum stress Chemical Science, 2020, 11, 3405-3417 |
| 1557429 | CIF | C33 H27 N2 O2 P | P -1 | 9.1957; 10.841; 13.3381 100.85; 100.343; 93.057 | 1279.46 | Zhuang, Zeyan; Dai, Jun; Yu, Maoxing; Li, Jianqing; Shen, Pingchuan; Hu, Rong; Lou, Xiaoding; Zhao, Zujin; Tang, Ben Zhong Type I photosensitizers based on phosphindole oxide for photodynamic therapy: apoptosis and autophagy induced by endoplasmic reticulum stress Chemical Science, 2020, 11, 3405-3417 |
| 1557430 | CIF | C228 H104 B4 Cl4 F96 N12 O2 Pd2 | C 1 2/c 1 | 40.6116; 14.3027; 43.1791 90; 108.163; 90 | 23831.1 | Martí-Centelles, Vicente; Spicer, Rebecca L.; Lusby, Paul J. Non-covalent allosteric regulation of capsule catalysis Chemical Science, 2020, 11, 3236-3240 |
| 1557435 | CIF | C20 H19 B N2 O5 | P 1 21/c 1 | 9.8085; 8.9262; 21.7277 90; 99.222; 90 | 1877.73 | Williams, Alexander F.; White, Andrew J. P.; Spivey, Alan C.; Cordier, Christopher J. meta-Selective C‒H functionalisation of aryl boronic acids directed by a MIDA-derived boronate ester Chemical Science, 2020, 11, 3301-3306 |
| 1557437 | CIF | C172 H168 Ca F21 N24 O30 Rh6 S7 | P 63 | 23.302; 23.302; 21.347 90; 90; 120 | 10038 | Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin s-Block metal ions induce structural transformations between figure-eight and double trefoil knots Chemical Science, 2020, 11, 1226-1232 |
| 1557438 | CIF | C333 H250 F35 K2 N99 O100 Rh12 S7 | P -1 | 22.5096; 25.221; 39.36 72.977; 89.886; 76.76 | 20747 | Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin s-Block metal ions induce structural transformations between figure-eight and double trefoil knots Chemical Science, 2020, 11, 1226-1232 |
| 1557439 | CIF | C170 H185 F24 N24 O34.5 Rh6 S8 Sr | P 63 | 22.673; 22.673; 20.482 90; 90; 120 | 9118 | Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin s-Block metal ions induce structural transformations between figure-eight and double trefoil knots Chemical Science, 2020, 11, 1226-1232 |
| 1557440 | CIF | C173 H189 F24 N24 O37.5 Rh6 S8 Sr | P 63 | 22.564; 22.564; 20.375 90; 90; 120 | 8984 | Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin s-Block metal ions induce structural transformations between figure-eight and double trefoil knots Chemical Science, 2020, 11, 1226-1232 |
| 1557441 | CIF | C190 H252 Ba2 F30 N24 O60 Rh6 S14 | C 1 2/c 1 | 72.911; 20.9282; 33.246 90; 106.419; 90 | 48661 | Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin s-Block metal ions induce structural transformations between figure-eight and double trefoil knots Chemical Science, 2020, 11, 1226-1232 |
| 1557442 | CIF | C16 H20 N2 Ni O2 | P 1 21/n 1 | 14.557; 10.2366; 8.2137 90; 141.27; 90 | 765.8 | Fisher, Katherine J.; Feuer, Margalit L.; Lant, Hannah M. C.; Mercado, Brandon Q.; Crabtree, Robert H.; Brudvig, Gary W. Concerted proton-electron transfer oxidation of phenols and hydrocarbons by a high-valent nickel complex. Chemical science, 2020, 11, 1683-1690 |
| 1557443 | CIF | C20 H28 N2 Ni O6 | P 1 21/n 1 | 8.3939; 14.9329; 8.7611 90; 108.791; 90 | 1039.63 | Fisher, Katherine J.; Feuer, Margalit L.; Lant, Hannah M. C.; Mercado, Brandon Q.; Crabtree, Robert H.; Brudvig, Gary W. Concerted proton-electron transfer oxidation of phenols and hydrocarbons by a high-valent nickel complex. Chemical science, 2020, 11, 1683-1690 |
| 1557444 | CIF | C31 H35 F6 N5 Ni O2 P | I 1 2/a 1 | 22.4997; 8.4913; 17.7726 90; 111.646; 90 | 3156 | Fisher, Katherine J.; Feuer, Margalit L.; Lant, Hannah M. C.; Mercado, Brandon Q.; Crabtree, Robert H.; Brudvig, Gary W. Concerted proton-electron transfer oxidation of phenols and hydrocarbons by a high-valent nickel complex. Chemical science, 2020, 11, 1683-1690 |
| 1557445 | CIF | C14 H8 S2 | P -1 | 5.8903; 7.8065; 11.6922 90.458; 101.223; 93.037 | 526.52 | Wang, Chengyuan; Hashizume, Daisuke; Nakano, Masahiro; Ogaki, Takuya; Takenaka, Hiroyuki; Kawabata, Kohsuke; Takimiya, Kazuo “Disrupt and induce” intermolecular interactions to rationally design organic semiconductor crystals: from herringbone to rubrene-like pitched π-stacking Chemical Science, 2020, 11, 1573-1580 |
| 1557446 | CIF | C20 H14 S4 | P 1 21/c 1 | 7.45474; 16.2651; 6.76866 90; 90.98; 90 | 820.59 | Wang, Chengyuan; Hashizume, Daisuke; Nakano, Masahiro; Ogaki, Takuya; Takenaka, Hiroyuki; Kawabata, Kohsuke; Takimiya, Kazuo “Disrupt and induce” intermolecular interactions to rationally design organic semiconductor crystals: from herringbone to rubrene-like pitched π-stacking Chemical Science, 2020, 11, 1573-1580 |
| 1557447 | CIF | C16 H12 S4 | P 1 21/c 1 | 7.6311; 17.4783; 5.2771 90; 91.18; 90 | 703.7 | Wang, Chengyuan; Hashizume, Daisuke; Nakano, Masahiro; Ogaki, Takuya; Takenaka, Hiroyuki; Kawabata, Kohsuke; Takimiya, Kazuo “Disrupt and induce” intermolecular interactions to rationally design organic semiconductor crystals: from herringbone to rubrene-like pitched π-stacking Chemical Science, 2020, 11, 1573-1580 |
| 1557448 | CIF | C26 H26 | P 1 21 1 | 9.423; 10.032; 11.391 90; 104.61; 90 | 1042 | Lei, Guangyue; Zhang, Hanwen; Chen, Bin; Xu, Meichen; Zhang, Guozhu Copper-catalyzed enantioselective arylalkynylation of alkenes. Chemical science, 2020, 11, 1623-1628 |
| 1557449 | CIF | C55 H72 Cl F3 N3 O3 P S | P -1 | 11.0592; 12.9006; 18.7834 98.063; 91.131; 103.315 | 2578.25 | Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S. Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications Chemical Science, 2020, 11, 1975-1984 |
| 1557450 | CIF | C59 H80 Cl15 Ga3 N3 P | P 1 21/c 1 | 19.16275; 13.46701; 28.2924 90; 94.584; 90 | 7277.92 | Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S. Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications Chemical Science, 2020, 11, 1975-1984 |
| 1557451 | CIF | C57 H76 N3 P | P 1 21/c 1 | 18.56527; 11.96597; 22.85445 90; 101.614; 90 | 4973.19 | Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S. Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications Chemical Science, 2020, 11, 1975-1984 |
| 1557452 | CIF | C54 H72 Cl8 Ga2 N3 P | P b c a | 24.13916; 18.9021; 26.08922 90; 90; 90 | 11904 | Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S. Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications Chemical Science, 2020, 11, 1975-1984 |
| 1557453 | CIF | C54 H72 Cl4 Ga N3 P | P 1 21/c 1 | 11.5123; 12.8811; 37.2397 90; 97.724; 90 | 5472.21 | Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S. Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications Chemical Science, 2020, 11, 1975-1984 |
| 1557454 | CIF | C54 H72 N3 P | P 1 21/n 1 | 12.5627; 15.9337; 23.6169 90; 93.554; 90 | 4718.31 | Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S. Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications Chemical Science, 2020, 11, 1975-1984 |
| 1557455 | CIF | C115 H154 Cl10 Ga2 N6 P2 | C 1 2/c 1 | 40.7612; 12.3237; 23.4798 90; 101.398; 90 | 11562 | Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S. Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications Chemical Science, 2020, 11, 1975-1984 |
| 1557456 | CIF | C46 H88 Ag2 Li4 N6 O2 | P -1 | 8.3861; 11.5994; 14.05 86.881; 79.282; 83.876 | 1334.35 | Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu Lipshutz-type bis(amido)argentates for directed ortho argentation Chemical Science, 2020, 11, 1855-1861 |
| 1557457 | CIF | C36 H72 Ag2 Li2 N4 | C 1 2/c 1 | 22.1326; 8.3936; 22.8868 90; 109.561; 90 | 4006.34 | Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu Lipshutz-type bis(amido)argentates for directed ortho argentation Chemical Science, 2020, 11, 1855-1861 |
| 1557458 | CIF | C42 H56 Ag Li N2 O3 | P 1 21/n 1 | 12.4986; 14.8962; 21.7554 90; 93.742; 90 | 4041.82 | Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu Lipshutz-type bis(amido)argentates for directed ortho argentation Chemical Science, 2020, 11, 1855-1861 |
| 1557459 | CIF | C56 H84 Ag2 Li2 N4 O2 | P 1 21/c 1 | 13.3743; 18.2477; 22.9463 90; 103.316; 90 | 5449.49 | Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu Lipshutz-type bis(amido)argentates for directed ortho argentation Chemical Science, 2020, 11, 1855-1861 |
| 1557502 | CIF | C42 H56 Cl6 Fe2 N2 O12 | P 1 21/n 1 | 10.7583; 20.7341; 12.2345 90; 101.16; 90 | 2677.47 | Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules Chemical Science, 2020, 11, 3610-3618 |
| 1557503 | CIF | C42 H56 Cl6 Fe2 N2 O12 | P 1 21/n 1 | 10.866; 21.1945; 12.2707 90; 101.413; 90 | 2770.1 | Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules Chemical Science, 2020, 11, 3610-3618 |
| 1557504 | CIF | C42 H56 Cl6 Fe2 N2 O12 | P 1 21/n 1 | 10.874; 20.9284; 12.2372 90; 101.859; 90 | 2725.4 | Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules Chemical Science, 2020, 11, 3610-3618 |
| 1557505 | CIF | C42 H56 Cl6 Fe2 N2 O12 | P 1 21/n 1 | 10.9375; 21.278; 12.2835 90; 100.818; 90 | 2807.9 | Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules Chemical Science, 2020, 11, 3610-3618 |
| 1557506 | CIF | C140 H104 Cu4 N8 O20 | P -1 | 14.987; 16.858; 17.478 116.53; 107.31; 93.21 | 3679 | Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L. On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra Chemical Science, 2020, 11, 3664-3671 |
| 1557507 | CIF | C218 H138 Cu8 N6 O48 | P -1 | 13.914; 20.891; 21.446 71.94; 87.87; 81.2 | 5857 | Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L. On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra Chemical Science, 2020, 11, 3664-3671 |
| 1557508 | CIF | C116 H84 Cu4 N4 O24 | P 1 21/c 1 | 14.0177; 28.7314; 17.0738 90; 110.611; 90 | 6436.3 | Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L. On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra Chemical Science, 2020, 11, 3664-3671 |
| 1557509 | CIF | C53 H31 Cu2 N O12 | I 1 2/m 1 | 25.8186; 22.6806; 27.2079 90; 109.69; 90 | 15000.9 | Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L. On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra Chemical Science, 2020, 11, 3664-3671 |
| 1557510 | CIF | C106 H60 Cu4 O24 | C 1 2/m 1 | 19.687; 28.163; 10.475 90; 97.91; 90 | 5753 | Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L. On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra Chemical Science, 2020, 11, 3664-3671 |
| 1557511 | CIF | C108 H72 Cu4 O24 S4 | C 1 2/c 1 | 14.151; 32.563; 26.766 90; 102.26; 90 | 12052 | Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L. On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra Chemical Science, 2020, 11, 3664-3671 |
| 1557512 | CIF | C168 H124 Cu4 N12 O20 | P 1 21/n 1 | 20.979; 21.168; 23.76 90; 108.37; 90 | 10014 | Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L. On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra Chemical Science, 2020, 11, 3664-3671 |
| 1557513 | CIF | C16 H21 N2 O0.1 P | P n m a | 8.613; 17.7; 9.511 90; 90; 90 | 1450 | Zhang, Jingjing; Yang, Jin-Dong; Cheng, Jin-Pei Diazaphosphinanes as hydride, hydrogen atom, proton or electron donors under transition-metal-free conditions: thermodynamics, kinetics, and synthetic applications Chemical Science, 2020, 11, 3672-3679 |
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