Crystallography Open Database
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Searching volume of publication is 9
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1548569 | CIF | C18 H6 B3 F9 O3 | C 1 2/c 1 | 12.8358; 12.6583; 12.8851 90; 119.06; 90 | 1830 | Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew Mechanistic insights into boron-catalysed direct amidation reactions. Chemical science, 2018, 9, 1058-1072 |
| 1548570 | CIF | C28 H22 B2 I2 O5 | P -1 | 10.635; 11.4814; 12.2457 83.1389; 87.0947; 64.1817 | 1336.36 | Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew Mechanistic insights into boron-catalysed direct amidation reactions. Chemical science, 2018, 9, 1058-1072 |
| 1548571 | CIF | C29 H28 B Cl2 N O2 | P -1 | 9.2006; 11.4729; 13.1121 101.57; 99.773; 98.085 | 1314.22 | Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew Mechanistic insights into boron-catalysed direct amidation reactions. Chemical science, 2018, 9, 1058-1072 |
| 1548572 | CIF | C26 H18 B F6 N O2 | P 1 21/n 1 | 10.1019; 11.7656; 19.567 90; 103.69; 90 | 2259.56 | Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew Mechanistic insights into boron-catalysed direct amidation reactions. Chemical science, 2018, 9, 1058-1072 |
| 1548573 | CIF | C14.5 H13 B Cl1.5 D0.5 F6 N2 O | P 1 c 1 | 11.75; 11.0269; 13.1973 90; 97.3307; 90 | 1695.95 | Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew Mechanistic insights into boron-catalysed direct amidation reactions. Chemical science, 2018, 9, 1058-1072 |
| 1548574 | CIF | C25 H15 B3 F9 N O3 | P -1 | 10.372; 11.1795; 12.3123 106.545; 111.492; 96.8493 | 1232.74 | Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew Mechanistic insights into boron-catalysed direct amidation reactions. Chemical science, 2018, 9, 1058-1072 |
| 1548575 | CIF | C18 H6 B3 F9 O3 | P b c n | 17.083; 13.093; 7.99 90; 90; 90 | 1787.1 | Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew Mechanistic insights into boron-catalysed direct amidation reactions. Chemical science, 2018, 9, 1058-1072 |
| 1548576 | CIF | C46 H51 B3 N4 O3 | P 1 21/c 1 | 21.212; 11.2705; 18.8494 90; 114.886; 90 | 4087.9 | Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew Mechanistic insights into boron-catalysed direct amidation reactions. Chemical science, 2018, 9, 1058-1072 |
| 1548577 | CIF | C28 H22 B2 Cl2 O5 | P -1 | 10.4296; 11.147; 11.7996 84.748; 87.958; 67.5356 | 1262.39 | Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew Mechanistic insights into boron-catalysed direct amidation reactions. Chemical science, 2018, 9, 1058-1072 |
| 1548578 | CIF | C32 H33 B3 N2 O3 | P -1 | 11.2396; 15.2054; 17.9361 89.7333; 72.0196; 84.3291 | 2900.27 | Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew Mechanistic insights into boron-catalysed direct amidation reactions. Chemical science, 2018, 9, 1058-1072 |
| 1548579 | CIF | C18 H6 B3 F9 O3 | C 1 2/c 1 | 12.8086; 12.6262; 12.8625 90; 119.598; 90 | 1808.74 | Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew Mechanistic insights into boron-catalysed direct amidation reactions. Chemical science, 2018, 9, 1058-1072 |
| 1548590 | CIF | C39 H42 B N O | C 1 2/c 1 | 38.4003; 9.7146; 18.3058 90; 114.338; 90 | 6222 | Shi, Yong-Gang; Wang, Jun-Wei; Li, Haijun; Hu, Guo-Fei; Li, Xue; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning A simple multi-responsive system based on aldehyde functionalized amino-boranes. Chemical science, 2018, 9, 1902-1911 |
| 1548591 | CIF | C25 H27 B O | P -1 | 8.488; 10.8609; 12.4693 97.707; 98.593; 105.796 | 1075.07 | Shi, Yong-Gang; Wang, Jun-Wei; Li, Haijun; Hu, Guo-Fei; Li, Xue; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning A simple multi-responsive system based on aldehyde functionalized amino-boranes. Chemical science, 2018, 9, 1902-1911 |
| 1548592 | CIF | C27 H32 B N O | P 1 21/n 1 | 12.3452; 9.0371; 20.4924 90; 91.199; 90 | 2285.7 | Shi, Yong-Gang; Wang, Jun-Wei; Li, Haijun; Hu, Guo-Fei; Li, Xue; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning A simple multi-responsive system based on aldehyde functionalized amino-boranes. Chemical science, 2018, 9, 1902-1911 |
| 1548593 | CIF | C28 H34 B N O | P 1 21/c 1 | 10.146; 16.684; 16.55 90; 103.602; 90 | 2722.9 | Shi, Yong-Gang; Wang, Jun-Wei; Li, Haijun; Hu, Guo-Fei; Li, Xue; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning A simple multi-responsive system based on aldehyde functionalized amino-boranes. Chemical science, 2018, 9, 1902-1911 |
| 1548594 | CIF | C23 H37 B N2 Se2 | P 1 21/c 1 | 17.551; 15.552; 17.729 90; 93.183; 90 | 4832 | Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity. Chemical science, 2018, 9, 2252-2260 |
| 1548595 | CIF | C49 H70 B2 N4 S | P 1 21/c 1 | 18.966; 13.037; 18.816 90; 97.143; 90 | 4616.3 | Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity. Chemical science, 2018, 9, 2252-2260 |
| 1548596 | CIF | C50 H78 B2 N4 O2 Se3 | C 1 2/c 1 | 16.059; 17.563; 17.928 90; 103.042; 90 | 4926.1 | Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity. Chemical science, 2018, 9, 2252-2260 |
| 1548597 | CIF | C50 H78 B2 N4 O2 S3 | C 1 2/c 1 | 15.945; 17.53; 17.924 90; 102.905; 90 | 4883.5 | Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity. Chemical science, 2018, 9, 2252-2260 |
| 1548598 | CIF | C37 H49 B N2 O Se2 | P 1 21/n 1 | 10.784; 16.852; 19.026 90; 91.03; 90 | 3457 | Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity. Chemical science, 2018, 9, 2252-2260 |
| 1548599 | CIF | C48 H68 B2 N4 S2 | P -1 | 8.8508; 8.8654; 14.6186 75.639; 86.11; 80.401 | 1095.24 | Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity. Chemical science, 2018, 9, 2252-2260 |
| 1548600 | CIF | C42 H62 B2 N4 Se | P b c a | 17.8352; 16.7797; 28.365 90; 90; 90 | 8488.8 | Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity. Chemical science, 2018, 9, 2252-2260 |
| 1548601 | CIF | C54 H86 B2 N4 O3 S4 | P b c a | 16.39; 17.61; 38.28 90; 90; 90 | 11049 | Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity. Chemical science, 2018, 9, 2252-2260 |
| 1548602 | CIF | C37 H49 B N2 O S2 | P 1 21/n 1 | 10.672; 16.818; 18.902 90; 91.75; 90 | 3391 | Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity. Chemical science, 2018, 9, 2252-2260 |
| 1548603 | CIF | C24 H34 B N2 Se | P -1 | 8.8289; 8.8405; 14.667 85.939; 75.916; 79.987 | 1093 | Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity. Chemical science, 2018, 9, 2252-2260 |
| 1548613 | CIF | C17 H14 Br N O | P 21 21 21 | 6.1624; 7.7041; 30.136 90; 90; 90 | 1430.7 | Luo, Hongwen; Yang, Zheng; Lin, Weilong; Zheng, Yangguangyan; Ma, Shengming A catalytic highly enantioselective allene approach to oxazolines. Chemical science, 2018, 9, 1964-1969 |
| 1548614 | CIF | C33 H37.5 B I2 N O | P 1 21/n 1 | 13.751; 16.557; 28.155 90; 93.121; 90 | 6401 | Qi, Yanyu; Xu, Wenjun; Kang, Rui; Ding, Nannan; Wang, Yelei; He, Gang; Fang, Yu Discrimination of saturated alkanes and relevant volatile compounds <i>via</i> the utilization of a conceptual fluorescent sensor array based on organoboron-containing polymers. Chemical science, 2018, 9, 1892-1901 |
| 1548615 | CIF | C35.5 H61 Li Ni O8.25 | P -1 | 11.4664; 24.2697; 28.3765 67.455; 88.576; 85.754 | 7273.2 | Iwasaki, Takanori; Fukuoka, Asuka; Yokoyama, Wataru; Min, Xin; Hisaki, Ichiro; Yang, Tao; Ehara, Masahiro; Kuniyasu, Hitoshi; Kambe, Nobuaki Nickel-catalyzed coupling reaction of alkyl halides with aryl Grignard reagents in the presence of 1,3-butadiene: mechanistic studies of four-component coupling and competing cross-coupling reactions. Chemical science, 2018, 9, 2195-2211 |
| 1548634 | CIF | C19 H27 N O S | P b c a | 13.4779; 8.1983; 31.894 90; 90; 90 | 3524.2 | Shen, Xianwang; Gong, Honghong; Zhou, Yang; Zhao, Yucheng; Lin, Jun; Chen, Mao Unsymmetrical difunctionalization of cyclooctadiene under continuous flow conditions: expanding the scope of ring opening metathesis polymerization. Chemical science, 2018, 9, 1846-1853 |
| 1548635 | CIF | C23 H24 O2 | P 21 21 21 | 9.7798; 10.6568; 17.5257 90; 90; 90 | 1826.55 | Zheng, Xinxin; Guo, Rui; Zhang, Guozhu; Zhang, Dayong Rhodium(i)-catalyzed asymmetric [4 + 2] cycloaddition reactions of 2-alkylenecyclobutanols with cyclic enones through C-C bond cleavage: efficient access to <i>trans</i>-bicyclic compounds. Chemical science, 2018, 9, 1873-1877 |
| 1548636 | CIF | C8 H14 Ag N O4 | P 21 21 21 | 7.786; 8.024; 16.081 90; 90; 90 | 1004.7 | Fang, Yinzhi; Zhang, Han; Huang, Zhen; Scinto, Samuel L.; Yang, Jeffrey C.; Am Ende, Christopher W.; Dmitrenko, Olga; Johnson, Douglas S.; Fox, Joseph M. Photochemical syntheses, transformations, and bioorthogonal chemistry of <i>trans</i>-cycloheptene and sila <i>trans</i>-cycloheptene Ag(i) complexes. Chemical science, 2018, 9, 1953-1963 |
| 1548637 | CIF | C18 H20 Ag N O3 Si | P 1 21/c 1 | 16.509; 8.4282; 13.9655 90; 114.69; 90 | 1765.53 | Fang, Yinzhi; Zhang, Han; Huang, Zhen; Scinto, Samuel L.; Yang, Jeffrey C.; Am Ende, Christopher W.; Dmitrenko, Olga; Johnson, Douglas S.; Fox, Joseph M. Photochemical syntheses, transformations, and bioorthogonal chemistry of <i>trans</i>-cycloheptene and sila <i>trans</i>-cycloheptene Ag(i) complexes. Chemical science, 2018, 9, 1953-1963 |
| 1548638 | CIF | C30.71 H44.57 Br1.14 Fe N2 O2.86 | I 1 a 1 | 15.186; 13.4178; 17.1643 90; 112.449; 90 | 3232.4 | Fleischauer, Valerie E.; Muñoz Iii, Salvador B; Neate, Peter G. N.; Brennessel, William W.; Neidig, Michael L. NHC and nucleophile chelation effects on reactive iron(ii) species in alkyl-alkyl cross-coupling. Chemical science, 2018, 9, 1878-1891 |
| 1548639 | CIF | C39 H60 Fe N2 O4 | P -1 | 10.0953; 10.9483; 17.657 88.7501; 75.1691; 88.9205 | 1885.9 | Fleischauer, Valerie E.; Muñoz Iii, Salvador B; Neate, Peter G. N.; Brennessel, William W.; Neidig, Michael L. NHC and nucleophile chelation effects on reactive iron(ii) species in alkyl-alkyl cross-coupling. Chemical science, 2018, 9, 1878-1891 |
| 1548640 | CIF | C33 H46 Fe N2 O4 | C 1 c 1 | 11.2603; 22.9235; 16.1864 90; 103.878; 90 | 4056.2 | Fleischauer, Valerie E.; Muñoz Iii, Salvador B; Neate, Peter G. N.; Brennessel, William W.; Neidig, Michael L. NHC and nucleophile chelation effects on reactive iron(ii) species in alkyl-alkyl cross-coupling. Chemical science, 2018, 9, 1878-1891 |
| 1548651 | CIF | C250.5 H168.5 B5 Co6 F41 N47 O21.25 S7 | P -1 | 21.2508; 21.6182; 39.5929 93.208; 101.624; 118.521 | 15407.3 | Rizzuto, Felix J.; Kieffer, Marion; Nitschke, Jonathan R. Quantified structural speciation in self-sorted CoII6L<sub>4</sub> cage systems. Chemical science, 2018, 9, 1925-1930 |
| 1548652 | CIF | C273 H263.5 B60.5 Co6 F19.5 N62.5 O20.5 S6.5 | P -1 | 25.0303; 26.7592; 34.5514 68.113; 88.8092; 66.5154 | 19472.1 | Rizzuto, Felix J.; Kieffer, Marion; Nitschke, Jonathan R. Quantified structural speciation in self-sorted CoII6L<sub>4</sub> cage systems. Chemical science, 2018, 9, 1925-1930 |
| 1548653 | CIF | C92 H130 Cl2 N4 Ni2 O5 | P 1 21/n 1 | 15.5829; 39.582; 16.2027 90; 110.448; 90 | 9364.1 | Clarke, Ryan M.; Jeen, Tiffany; Rigo, Serena; Thompson, John R.; Kaake, Loren G.; Thomas, Fabrice; Storr, Tim Exploiting exciton coupling of ligand radical intervalence charge transfer transitions to tune NIR absorption. Chemical science, 2018, 9, 1610-1620 |
| 1548654 | CIF | C72 H96 N6 Ni2 O4 | P -1 | 11.4567; 13.1358; 25.5529 82.482; 89.48; 67.19 | 3510.7 | Clarke, Ryan M.; Jeen, Tiffany; Rigo, Serena; Thompson, John R.; Kaake, Loren G.; Thomas, Fabrice; Storr, Tim Exploiting exciton coupling of ligand radical intervalence charge transfer transitions to tune NIR absorption. Chemical science, 2018, 9, 1610-1620 |
| 1548655 | CIF | C89 H139 N4 Ni2 O4 | P b c a | 29.9305; 12.1234; 47.9429 90; 90; 90 | 17396.5 | Clarke, Ryan M.; Jeen, Tiffany; Rigo, Serena; Thompson, John R.; Kaake, Loren G.; Thomas, Fabrice; Storr, Tim Exploiting exciton coupling of ligand radical intervalence charge transfer transitions to tune NIR absorption. Chemical science, 2018, 9, 1610-1620 |
| 1548656 | CIF | C192 H133 Ca2 O29 P4 | P 21 21 21 | 13.7157; 21.388; 65.483 90; 90; 90 | 19209.5 | Uno, Brice E.; Dicken, Rachel D.; Redfern, Louis R.; Stern, Charlotte M.; Krzywicki, Greg G.; Scheidt, Karl A. Calcium(ii)-catalyzed enantioselective conjugate additions of amines. Chemical science, 2018, 9, 1634-1639 |
| 1548657 | CIF | C18 H17 Br N2 O2 | P 1 | 4.681; 6.1091; 14.2048 100.603; 92.652; 94.55 | 397.25 | Uno, Brice E.; Dicken, Rachel D.; Redfern, Louis R.; Stern, Charlotte M.; Krzywicki, Greg G.; Scheidt, Karl A. Calcium(ii)-catalyzed enantioselective conjugate additions of amines. Chemical science, 2018, 9, 1634-1639 |
| 1548659 | CIF | C78 H78 B2 Fe2 N8 O2 P2 Zn2 | P 1 2/c 1 | 13.855; 9.378; 30.742 90; 101.648; 90 | 3912.1 | Abubekerov, Mark; Wei, Junnian; Swartz, Kevin R.; Xie, Zhixin; Pei, Qibing; Diaconescu, Paula L. Preparation of multiblock copolymers <i>via</i> step-wise addition of l-lactide and trimethylene carbonate. Chemical science, 2018, 9, 2168-2178 |
| 1548660 | CIF | C27 H35 B9 Hf2 | P 1 21/c 1 | 17.2181; 12.9003; 14.6113 90; 110.082; 90 | 3048.1 | De, Anangsha; Zhang, Qian-Fan; Mondal, Bijan; Cheung, Ling Fung; Kar, Sourav; Saha, Koushik; Varghese, Babu; Wang, Lai-Sheng; Ghosh, Sundargopal [(Cp<sub>2</sub>M)<sub>2</sub>B<sub>9</sub>H<sub>11</sub>] (M = Zr or Hf): early transition metal 'guarded' heptaborane with strong covalent and electrostatic bonding. Chemical science, 2018, 9, 1976-1981 |
| 1548661 | CIF | C27 H39 B9 Zr2 | P 1 21/c 1 | 17.2544; 12.8796; 14.6295 90; 109.855; 90 | 3057.85 | De, Anangsha; Zhang, Qian-Fan; Mondal, Bijan; Cheung, Ling Fung; Kar, Sourav; Saha, Koushik; Varghese, Babu; Wang, Lai-Sheng; Ghosh, Sundargopal [(Cp<sub>2</sub>M)<sub>2</sub>B<sub>9</sub>H<sub>11</sub>] (M = Zr or Hf): early transition metal 'guarded' heptaborane with strong covalent and electrostatic bonding. Chemical science, 2018, 9, 1976-1981 |
| 1548662 | CIF | C20 H24 B5 Hf2 | P 1 c 1 | 9.3061; 7.8838; 14.9171 90; 100.72; 90 | 1075.33 | De, Anangsha; Zhang, Qian-Fan; Mondal, Bijan; Cheung, Ling Fung; Kar, Sourav; Saha, Koushik; Varghese, Babu; Wang, Lai-Sheng; Ghosh, Sundargopal [(Cp<sub>2</sub>M)<sub>2</sub>B<sub>9</sub>H<sub>11</sub>] (M = Zr or Hf): early transition metal 'guarded' heptaborane with strong covalent and electrostatic bonding. Chemical science, 2018, 9, 1976-1981 |
| 1548696 | CIF | C12 H20 B10 | P 1 21/n 1 | 10.039; 14.627; 11.432 90; 96.919; 90 | 1666.5 | Chan, Tek Long; Xie, Zuowei Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles. Chemical science, 2018, 9, 2284-2289 |
| 1548697 | CIF | C5 H14 B10 S | P 1 21/n 1 | 11.7439; 8.5035; 12.5486 90; 108.228; 90 | 1190.27 | Chan, Tek Long; Xie, Zuowei Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles. Chemical science, 2018, 9, 2284-2289 |
| 1548698 | CIF | C5 H16 B10 O2 | P 21 21 21 | 6.955; 10.8072; 16.754 90; 90; 90 | 1259.3 | Chan, Tek Long; Xie, Zuowei Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles. Chemical science, 2018, 9, 2284-2289 |
| 1548699 | CIF | C6 H17 B10 N | P 1 21/n 1 | 11.9424; 8.5259; 13.3359 90; 108.729; 90 | 1286 | Chan, Tek Long; Xie, Zuowei Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles. Chemical science, 2018, 9, 2284-2289 |
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