Crystallography Open Database
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Searching journal of publication like 'Chemical science' volume of publication is 9
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1549557 | CIF | C17 H18 F3 N O3 S | P 21 21 21 | 8.0524; 10.279; 21.1646 90; 90; 90 | 1751.8 | Pan, Chongqing; Guo, Wenjing; Gu, Zhenhua Unusual biaryl torsional strain promotes reactivity in Cu-catalyzed Sommelet-Hauser rearrangement. Chemical science, 2018, 9, 5850-5854 |
| 1549558 | CIF | C17 H20 I2 In N O6 | P -1 | 8.5335; 8.9158; 15.6189 94.244; 92.845; 113.418 | 1083.39 | Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins. Chemical science, 2018, 9, 6041-6052 |
| 1549559 | CIF | C10 H8 I3 In O2 | P -1 | 7.2953; 10.6797; 10.9105 71.041; 73.634; 78.807 | 766.42 | Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins. Chemical science, 2018, 9, 6041-6052 |
| 1549560 | CIF | C16 H9 Cl O3 | P 21 21 21 | 3.8763; 12.0424; 26.146 90; 90; 90 | 1220.5 | Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins. Chemical science, 2018, 9, 6041-6052 |
| 1549561 | CIF | C9 H4 I N O4 | P -1 | 8.749; 9.0176; 12.167 92.712; 100.266; 92.8365 | 941.85 | Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins. Chemical science, 2018, 9, 6041-6052 |
| 1549565 | CIF | C49 H46 Cl4 Os P2 Si | P 1 21/c 1 | 11.60758; 16.9798; 22.4892 90; 94.829; 90 | 4416.76 | Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen Facile synthesis of polycyclic metallaarynes. Chemical science, 2018, 9, 5994-5998 |
| 1549566 | CIF | C53 H48 Cl4 Os P2 Si | I 1 2 1 | 13.9889; 16.453; 21.3301 90; 97.273; 90 | 4869.82 | Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen Facile synthesis of polycyclic metallaarynes. Chemical science, 2018, 9, 5994-5998 |
| 1549567 | CIF | C55 H52 Cl8 Os P2 Si | P 1 21/m 1 | 11.4227; 17.2735; 13.9125 90; 102.838; 90 | 2676.46 | Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen Facile synthesis of polycyclic metallaarynes. Chemical science, 2018, 9, 5994-5998 |
| 1549568 | CIF | C36 H36 As Cl F6 N9 O6 S2 | P 1 21/c 1 | 14.2067; 15.9799; 18.6556 90; 94.05; 90 | 4224.6 | Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple. Chemical science, 2018, 9, 5837-5841 |
| 1549569 | CIF | C37 H39 As F9 N9 O9 S3 | P 1 21/c 1 | 14.0065; 15.9167; 21.8331 90; 107.966; 90 | 4630.08 | Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple. Chemical science, 2018, 9, 5837-5841 |
| 1549570 | CIF | C25 H19.5 N7.5 P | P 1 21/n 1 | 13.0553; 25.1646; 14.6359 90; 114.619; 90 | 4371.2 | Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple. Chemical science, 2018, 9, 5837-5841 |
| 1549571 | CIF | C37 H39 F11 N9 O9 P S3 | P -1 | 13.753; 14.06; 14.321 109.504; 98.444; 111.998 | 2300 | Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple. Chemical science, 2018, 9, 5837-5841 |
| 1549572 | CIF | C36 H39 F7 N9 O6 S2 Sb | P -1 | 13.1877; 13.3482; 13.4824 79.6653; 63.0215; 84.7868 | 2080.63 | Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple. Chemical science, 2018, 9, 5837-5841 |
| 1549573 | CIF | C39 H42 F9 N10 O9 P S3 | P -1 | 10.8599; 10.9646; 20.3805 81.217; 83.234; 89.295 | 2381.6 | Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple. Chemical science, 2018, 9, 5837-5841 |
| 1549574 | CIF | C38 H40.5 F9 N9.5 O9 S3 Sb | P -1 | 12.726; 18.899; 20.823 102.659; 97.475; 99.315 | 4750 | Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple. Chemical science, 2018, 9, 5837-5841 |
| 1549575 | CIF | C27 H28 N4 O2 | C 1 2/c 1 | 22.679; 10.176; 21.562 90; 94.879; 90 | 4958 | Zhang, Liang; Liu, Shuya; Zhao, Zhiguo; Su, Hongmei; Hao, Jingcheng; Wang, Yao (Salen)Mn(iii)-catalyzed chemoselective acylazidation of olefins. Chemical science, 2018, 9, 6085-6090 |
| 1549577 | CIF | C23 H20 I4 N2 O | P -1 | 7.3405; 11.1063; 16.76 83.668; 77.493; 78.301 | 1303.08 | Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B. The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding. Chemical science, 2018, 9, 5828-5836 |
| 1549578 | CIF | C23 H20 Br2 I2 N2 O | P -1 | 7.28; 10.9585; 16.0936 89.758; 79.735; 78.541 | 1237.53 | Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B. The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding. Chemical science, 2018, 9, 5828-5836 |
| 1549579 | CIF | C24 H16 F7 I2 N3 O6 S2 | P -1 | 8.0582; 11.0044; 17.7067 99.618; 91.239; 104.624 | 1494.58 | Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B. The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding. Chemical science, 2018, 9, 5828-5836 |
| 1549580 | CIF | C24 H16 F6 I2 N2 O6 S2 | P b c n | 22.337; 12.7364; 10.9081 90; 90; 90 | 3103.3 | Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B. The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding. Chemical science, 2018, 9, 5828-5836 |
| 1549581 | CIF | C22 H16 Br2 F I2 N3 | P 1 21/c 1 | 10.9739; 17.8839; 12.1266 90; 102.951; 90 | 2319.4 | Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B. The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding. Chemical science, 2018, 9, 5828-5836 |
| 1549582 | CIF | C36 H44 F I4 N3 | P 1 21/c 1 | 17.086; 18.092; 13.3174 90; 111.458; 90 | 3831.3 | Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B. The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding. Chemical science, 2018, 9, 5828-5836 |
| 1549583 | CIF | C22 H16 Cl2 I2 N2 | P 1 21/c 1 | 9.1408; 18.1854; 13.7305 90; 100.82; 90 | 2241.83 | Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B. The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding. Chemical science, 2018, 9, 5828-5836 |
| 1549591 | CIF | C32 H27 Cl3 N2 O7 S | P 1 21 1 | 10.664; 10.372; 14.789 90; 104.778; 90 | 1581.7 | Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts. Chemical science, 2018, 9, 6361-6367 |
| 1549592 | CIF | C15 H16 Br N O5 | P 1 21 1 | 5.8577; 14.389; 9.621 90; 94.654; 90 | 808.2 | Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts. Chemical science, 2018, 9, 6361-6367 |
| 1549593 | CIF | C67 H60 Cl2 N2 O8 P2 | P 21 21 21 | 11.4778; 13.6448; 36.849 90; 90; 90 | 5771 | Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts. Chemical science, 2018, 9, 6361-6367 |
| 1549594 | CIF | C47 H56 O8 P2 | P -1 | 12.7831; 14.6459; 14.8 116.231; 101.896; 102.26 | 2282.2 | Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts. Chemical science, 2018, 9, 6361-6367 |
| 1549595 | CIF | C26 H27 F N2 O4 | P -1 | 7.8572; 10.5461; 14.099 70.648; 88.911; 85.089 | 1098.2 | Mori, Keiji; Umehara, Nobuaki; Akiyama, Takahiko Highly diastereoselective synthesis of tricyclic fused-pyrans by sequential hydride shift mediated double C(sp<sup>3</sup>)-H bond functionalization. Chemical science, 2018, 9, 7327-7331 |
| 1549596 | CIF | C26 H28 N2 O4 | P -1 | 7.945; 10.546; 14.045 70.523; 88.065; 83.805 | 1103 | Mori, Keiji; Umehara, Nobuaki; Akiyama, Takahiko Highly diastereoselective synthesis of tricyclic fused-pyrans by sequential hydride shift mediated double C(sp<sup>3</sup>)-H bond functionalization. Chemical science, 2018, 9, 7327-7331 |
| 1549597 | CIF | C26 H28 N2 O4 | P 1 21/n 1 | 7.6953; 15.2435; 18.799 90; 97.426; 90 | 2186.7 | Mori, Keiji; Umehara, Nobuaki; Akiyama, Takahiko Highly diastereoselective synthesis of tricyclic fused-pyrans by sequential hydride shift mediated double C(sp<sup>3</sup>)-H bond functionalization. Chemical science, 2018, 9, 7327-7331 |
| 1549610 | CIF | C51 H59 N2 Ni S | P 1 21/c 1 | 13.0333; 16.6343; 19.8726 90; 96.392; 90 | 4281.6 | Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W. Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction. Chemical science, 2018, 9, 6580-6588 |
| 1549611 | CIF | C55.66667 H72 N2 Ni S | P -1 | 12.686; 19.394; 30.321 88.294; 80.235; 81.137 | 7264 | Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W. Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction. Chemical science, 2018, 9, 6580-6588 |
| 1549612 | CIF | C102 H172 K2 N4 Ni2 O12 S2 | P 1 21/n 1 | 18.558; 16.822; 19.0552 90; 96.441; 90 | 5911.2 | Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W. Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction. Chemical science, 2018, 9, 6580-6588 |
| 1549613 | CIF | C53 H89 K N4 Ni O6 S | P 1 21/n 1 | 12.7125; 22.4934; 20.0532 90; 102.126; 90 | 5606.2 | Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W. Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction. Chemical science, 2018, 9, 6580-6588 |
| 1549614 | CIF | C56 H80 K N2 Ni O6 S | P -1 | 13.1937; 13.2978; 16.6951 88.621; 74.52; 88.213 | 2821.1 | Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W. Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction. Chemical science, 2018, 9, 6580-6588 |
| 1549615 | CIF | C108.5 H175 K2 N8 Ni2 O14 S2 | P -1 | 11.847; 13.438; 19.455 94.052; 95.344; 91.766 | 3073.9 | Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W. Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction. Chemical science, 2018, 9, 6580-6588 |
| 1549619 | CIF | C24 H23 I N2 O3 | P 21 21 21 | 6.8489; 15.7645; 19.4642 90; 90; 90 | 2101.54 | Meazza, Marta; Kamlar, Martin; Jašíková, Lucie; Formánek, Bedřich; Mazzanti, Andrea; Roithová, Jana; Veselý, Jan; Rios, Ramon Synergistic formal ring contraction for the enantioselective synthesis of spiropyrazolones. Chemical science, 2018, 9, 6368-6373 |
| 1549620 | CIF | C18 H19 N O5 S | P 21 21 21 | 19.1685; 5.7871; 14.8903 90; 90; 90 | 1651.78 | Li, Wei; Wollenburg, Marco; Glorius, Frank Enantioselective synthesis of 2-oxazolidinones by ruthenium(ii)-NHC-catalysed asymmetric hydrogenation of 2-oxazolones. Chemical science, 2018, 9, 6260-6263 |
| 1549621 | CIF | C33 H22 N4 O | P 1 21/c 1 | 9.3334; 19.56; 13.636 90; 94.259; 90 | 2482.5 | Ni, Fan; Zhu, Zece; Tong, Xiao; Xie, Mingjuan; Zhao, Qiang; Zhong, Cheng; Zou, Yang; Yang, Chuluo Organic emitter integrating aggregation-induced delayed fluorescence and room-temperature phosphorescence characteristics, and its application in time-resolved luminescence imaging. Chemical science, 2018, 9, 6150-6155 |
| 1549622 | CIF | C66 H44 N10 O8 Zn | P 1 21/c 1 | 13.3069; 18.6034; 27.4104 90; 102.321; 90 | 6629.3 | Ni, Fan; Zhu, Zece; Tong, Xiao; Xie, Mingjuan; Zhao, Qiang; Zhong, Cheng; Zou, Yang; Yang, Chuluo Organic emitter integrating aggregation-induced delayed fluorescence and room-temperature phosphorescence characteristics, and its application in time-resolved luminescence imaging. Chemical science, 2018, 9, 6150-6155 |
| 1549623 | CIF | C33 H22 N6 O7 Zn | P -1 | 10.4399; 11.3331; 13.2139 100.001; 99.774; 99.056 | 1488.9 | Ni, Fan; Zhu, Zece; Tong, Xiao; Xie, Mingjuan; Zhao, Qiang; Zhong, Cheng; Zou, Yang; Yang, Chuluo Organic emitter integrating aggregation-induced delayed fluorescence and room-temperature phosphorescence characteristics, and its application in time-resolved luminescence imaging. Chemical science, 2018, 9, 6150-6155 |
| 1549629 | CIF | C48 H86 B Fe K2 N2 O6 P3 | P 1 n 1 | 12.8973; 12.5342; 17.2106 90; 98.668; 90 | 2750.4 | Deegan, Meaghan M.; Peters, Jonas C. Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes. Chemical science, 2018, 9, 6264-6270 |
| 1549630 | CIF | C64 H95 B Fe K N2 O10 P3 | P 1 21/c 1 | 11.3464; 35.5398; 15.8541 90; 90.839; 90 | 6392.5 | Deegan, Meaghan M.; Peters, Jonas C. Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes. Chemical science, 2018, 9, 6264-6270 |
| 1549631 | CIF | C47 H81 B Fe N3 P3 Si2 | P b c a | 11.3085; 24.2407; 37.5101 90; 90; 90 | 10282.5 | Deegan, Meaghan M.; Peters, Jonas C. Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes. Chemical science, 2018, 9, 6264-6270 |
| 1549632 | CIF | C49 H85 B Fe K N2 O P3 Si | P -1 | 12.4653; 13.091; 21.997 97.411; 95.734; 117.826 | 3095 | Deegan, Meaghan M.; Peters, Jonas C. Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes. Chemical science, 2018, 9, 6264-6270 |
| 1549633 | CIF | C79.22 H90.92 B2 F24 Fe N P3 | P 1 21/c 1 | 27.577; 15.5573; 38.526 90; 100.863; 90 | 16232 | Deegan, Meaghan M.; Peters, Jonas C. Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes. Chemical science, 2018, 9, 6264-6270 |
| 1549634 | CIF | C14 H21 B10 N | P 1 21/c 1 | 7.8295; 25.776; 11.1821 90; 128.014; 90 | 1778 | Lyu, Hairong; Quan, Yangjian; Xie, Zuowei Rhodium catalyzed cascade cyclization featuring B-H and C-H activation: one-step construction of carborane-fused N-polyheterocycles. Chemical science, 2018, 9, 6390-6394 |
| 1549635 | CIF | C14 H24 B10 Cl N O | P 1 21/n 1 | 11.4617; 7.484; 23.7344 90; 96.0865; 90 | 2024.45 | Lyu, Hairong; Quan, Yangjian; Xie, Zuowei Rhodium catalyzed cascade cyclization featuring B-H and C-H activation: one-step construction of carborane-fused N-polyheterocycles. Chemical science, 2018, 9, 6390-6394 |
| 1549636 | CIF | C18 H22 B10 N | A m a 2 | 7.224; 24.584; 11.2382 90; 90; 90 | 1995.85 | Lyu, Hairong; Quan, Yangjian; Xie, Zuowei Rhodium catalyzed cascade cyclization featuring B-H and C-H activation: one-step construction of carborane-fused N-polyheterocycles. Chemical science, 2018, 9, 6390-6394 |
| 1549640 | CIF | C49 H48 Br N O3 | P 21 21 21 | 10.118; 14.0353; 28.194 90; 90; 90 | 4003.8 | Santra, Surojit; Porey, Arka; Jana, Barun; Guin, Joyram N-Heterocyclic carbenes as chiral Brønsted base catalysts: a highly diastereo- and enantioselective 1,6-addition reaction. Chemical science, 2018, 9, 6446-6450 |
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