Crystallography Open Database

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1549887 CIFC75 H58 B Br Co F24 P4P 1 21/c 113.2806; 27.575; 20.326
90; 99.632; 90
7338.7Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.
Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).
Chemical science, 2018, 9, 8234-8241
1549888 CIFC84 H67 B Co F24 P4P -113.0252; 17.6478; 18.721
103.179; 108.177; 99.43
3850.3Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.
Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).
Chemical science, 2018, 9, 8234-8241
1549889 CIFC79 H60 B Co F24.5 P4 SP -115.234; 17.698; 18.812
107.508; 101.067; 114.08
4117.5Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.
Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).
Chemical science, 2018, 9, 8234-8241
1549890 CIFC79 H54 B Co F24 O P3P 1 21/n 114.313; 28.967; 18.3198
90; 104.992; 90
7336.9Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.
Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).
Chemical science, 2018, 9, 8234-8241
1549891 CIFC86 H70 B Co F24 P3P -115.392; 16.404; 17.511
72.538; 72.836; 86.072
4028.8Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.
Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).
Chemical science, 2018, 9, 8234-8241
1549892 CIFC80.5 H65 B Co F24 N P3P -112.6883; 18.4229; 18.5758
115.784; 99.469; 97.331
3758.4Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.
Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).
Chemical science, 2018, 9, 8234-8241
1549893 CIFC77.75 H61.5 B Co F24.12 N P4P 1 21/n 118.5988; 21.2082; 18.9102
90; 90.121; 90
7459.1Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.
Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).
Chemical science, 2018, 9, 8234-8241
1549894 CIFC75 H58 B Co F24 O P4P -113.183; 16.54; 16.808
82.81; 83.316; 84.81
3600.7Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.
Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).
Chemical science, 2018, 9, 8234-8241
1549895 CIFC75 H59 B Co F24 P4P 1 21/c 111.8224; 19.1322; 33.4483
90; 97.5642; 90
7499.8Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.
Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).
Chemical science, 2018, 9, 8234-8241
1549896 CIFC81 H64 B Co F25 O P4P -114.706; 15.1357; 19.031
71.3492; 83.8715; 80.5636
3952.6Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.
Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).
Chemical science, 2018, 9, 8234-8241
1549897 CIFC83 H64 B Co F24 P4P 1 21/n 116.2021; 25.658; 18.5436
90; 90.185; 90
7708.8Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.
Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).
Chemical science, 2018, 9, 8234-8241
1549906 CIFC22 H18 N2P 21 21 217.652; 14.111; 15.379
90; 90; 90
1661Kawada, Yuiki; Ohmura, Shunsuke; Kobayashi, Misaki; Nojo, Wataru; Kondo, Masaki; Matsuda, Yuka; Matsuoka, Junpei; Inuki, Shinsuke; Oishi, Shinya; Wang, Chao; Saito, Tatsuo; Uchiyama, Masanobu; Suzuki, Takanori; Ohno, Hiroaki
Direct synthesis of aryl-annulated [<i>c</i>]carbazoles by gold(i)-catalysed cascade reaction of azide-diynes and arenes.
Chemical science, 2018, 9, 8416-8425
1549907 CIFC26 H20 N2P -115.147; 15.449; 16.488
82.861; 80.898; 78.48
3716Kawada, Yuiki; Ohmura, Shunsuke; Kobayashi, Misaki; Nojo, Wataru; Kondo, Masaki; Matsuda, Yuka; Matsuoka, Junpei; Inuki, Shinsuke; Oishi, Shinya; Wang, Chao; Saito, Tatsuo; Uchiyama, Masanobu; Suzuki, Takanori; Ohno, Hiroaki
Direct synthesis of aryl-annulated [<i>c</i>]carbazoles by gold(i)-catalysed cascade reaction of azide-diynes and arenes.
Chemical science, 2018, 9, 8416-8425
1549908 CIFC22 H18 N2P n a 2113.252; 5.704; 42.601
90; 90; 90
3220Kawada, Yuiki; Ohmura, Shunsuke; Kobayashi, Misaki; Nojo, Wataru; Kondo, Masaki; Matsuda, Yuka; Matsuoka, Junpei; Inuki, Shinsuke; Oishi, Shinya; Wang, Chao; Saito, Tatsuo; Uchiyama, Masanobu; Suzuki, Takanori; Ohno, Hiroaki
Direct synthesis of aryl-annulated [<i>c</i>]carbazoles by gold(i)-catalysed cascade reaction of azide-diynes and arenes.
Chemical science, 2018, 9, 8416-8425
1549909 CIFC33 H50.5 Ce0.5 N3 O1.5P 1 21/c 118.8567; 20.0714; 19.2011
90; 102.741; 90
7088.3Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.
Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.
Chemical science, 2018, 9, 8035-8045
1549910 CIFC62 H100 Br4 Ce2 Li2 N6 O4P 1 21/n 114.083; 17.4883; 15.0209
90; 99.155; 90
3652.34Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.
Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.
Chemical science, 2018, 9, 8035-8045
1549911 CIFC70 H105 Ce N8 O3 S2P 1 21/c 116.491; 25.6698; 18.9736
90; 100.574; 90
7895.5Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.
Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.
Chemical science, 2018, 9, 8035-8045
1549912 CIFC77 H93 Ce N6 O9P -117.1931; 18.0941; 18.142
60.078; 63.808; 83.013
4353.9Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.
Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.
Chemical science, 2018, 9, 8035-8045
1549913 CIFC76 H99 Ce N6 O9P -115.9574; 17.7857; 17.8098
62.686; 69.389; 77.518
4194.6Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.
Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.
Chemical science, 2018, 9, 8035-8045
1549914 CIFC84 H105 Ce N6 O3P 1 21/c 112.6458; 24.6116; 24.4523
90; 93.8; 90
7593.6Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.
Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.
Chemical science, 2018, 9, 8035-8045
1549915 CIFC72 H44 Au4 Fe2 N12C 1 c 133.2202; 13.2404; 15.202
90; 113.392; 90
6137Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio
Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.
Chemical science, 2018, 9, 8446-8452
1549916 CIFC72 H44 Au4 N12 Zn2C 1 c 133.4492; 13.0989; 16.2467
90; 112.538; 90
6574.8Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio
Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.
Chemical science, 2018, 9, 8446-8452
1549917 CIFC72 H44 Au4 Fe2 N12C 1 c 133.557; 13.117; 16.174
90; 112.407; 90
6581.8Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio
Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.
Chemical science, 2018, 9, 8446-8452
1549918 CIFC72 H44 Au4 N12 Zn2C 1 c 133.219; 12.9438; 16.3125
90; 111.934; 90
6506.3Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio
Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.
Chemical science, 2018, 9, 8446-8452
1549919 CIFC23 H16 N4 O SP 21 21 217.8612; 9.8518; 27.1605
90; 90; 90
2103.5Wang, Chunfei; Cheng, Xiaoxiang; Tan, Jingyun; Ding, Zhaoyang; Wang, Wenjing; Yuan, Daqiang; Li, Gang; Zhang, Hongjie; Zhang, Xuanjun
Reductive cleavage of C[double bond, length as m-dash]C bonds as a new strategy for turn-on dual fluorescence in effective sensing of H<sub>2</sub>S.
Chemical science, 2018, 9, 8369-8374
1549920 CIFC17 H10 N3 S2P 1 21 18.7916; 5.6255; 14.7562
90; 95.407; 90
726.55Wang, Chunfei; Cheng, Xiaoxiang; Tan, Jingyun; Ding, Zhaoyang; Wang, Wenjing; Yuan, Daqiang; Li, Gang; Zhang, Hongjie; Zhang, Xuanjun
Reductive cleavage of C[double bond, length as m-dash]C bonds as a new strategy for turn-on dual fluorescence in effective sensing of H<sub>2</sub>S.
Chemical science, 2018, 9, 8369-8374
1549921 CIFC13 H17 N3 O4P -18.098; 10.0379; 10.4154
116.381; 111.697; 92.496
682.41Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.
Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.
Chemical science, 2018, 9, 8242-8252
1549922 CIFC19 H21 N3 O5P -16.695; 10.327; 13.555
107.4; 92.61; 102.79
865.8Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.
Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.
Chemical science, 2018, 9, 8242-8252
1549923 CIFC15 H19 N3 O4P 1 21/c 19.999; 17.469; 8.521
90; 98.76; 90
1471Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.
Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.
Chemical science, 2018, 9, 8242-8252
1549924 CIFC14 H23 N3 O6P 1 21/n 18.789; 10.706; 17.342
90; 99.97; 90
1607.2Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.
Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.
Chemical science, 2018, 9, 8242-8252
1549925 CIFC11 H10 N2 O4P 1 21/n 112.8188; 6.1493; 13.1714
90; 99.328; 90
1024.53Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.
Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.
Chemical science, 2018, 9, 8242-8252
1549926 CIFC24 H31 N3 O5P 1 21/c 111.8801; 9.9317; 20.246
90; 104.31; 90
2314.7Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.
Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.
Chemical science, 2018, 9, 8242-8252
1549927 CIFC20 H21 Cl3 D N3 O5P 1 21/n 16.747; 22.937; 13.927
90; 90.66; 90
2155.1Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.
Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.
Chemical science, 2018, 9, 8242-8252
1549928 CIFC19 H28 N3 O7.5P 1 21/c 111.253; 15.863; 22.909
90; 99.957; 90
4027.8Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.
Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.
Chemical science, 2018, 9, 8242-8252
1549929 CIFC15.5 H20.27 Cl N3 O4.64P -110.42; 13.2; 13.9
89.03; 85.92; 75.68
1847.8Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.
Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.
Chemical science, 2018, 9, 8242-8252
1549930 CIFC642 H612 Cl12 Co48 N72 O126 S48R -3 :H37.232; 37.232; 80.093
90; 90; 120
96152Geng, Dantong; Han, Xu; Bi, Yanfeng; Qin, Yucai; Li, Qiang; Huang, Liangliang; Zhou, Kun; Song, Lijuan; Zheng, Zhiping
Merohedral icosahedral M<sub>48</sub> (M = Co<sup>II</sup>, Ni<sup>II</sup>) cage clusters supported by thiacalix[4]arene.
Chemical science, 2018, 9, 8535-8541
1549931 CIFC642 H612 Cl12 N72 Ni48 O126 S48R -3 :H37.799; 37.799; 86.192
90; 90; 120
106649Geng, Dantong; Han, Xu; Bi, Yanfeng; Qin, Yucai; Li, Qiang; Huang, Liangliang; Zhou, Kun; Song, Lijuan; Zheng, Zhiping
Merohedral icosahedral M<sub>48</sub> (M = Co<sup>II</sup>, Ni<sup>II</sup>) cage clusters supported by thiacalix[4]arene.
Chemical science, 2018, 9, 8535-8541
1549932 CIFC18 H17 N O3P -18.596; 9.3242; 9.5215
101.132; 103.244; 96.071
719.84Li, Shuai-Shuai; Lv, Xintong; Ren, Didi; Shao, Chang-Lun; Liu, Qing; Xiao, Jian
Redox-triggered cascade dearomative cyclizations enabled by hexafluoroisopropanol.
Chemical science, 2018, 9, 8253-8259
1549934 CIFC114 H108 N16 O12P 1 2/c 126.0567; 14.2086; 28.6868
90; 94.091; 90
10593.6Qu, Hang; Tang, Xiao; Wang, Xinchang; Li, Zhihao; Huang, Zheyu; Zhang, Hui; Tian, Zhongqun; Cao, Xiaoyu
Chiral molecular face-rotating sandwich structures constructed through restricting the phenyl flipping of tetraphenylethylene.
Chemical science, 2018, 9, 8814-8818
1549935 CIFC114 H108 N16 O12P c c n19.0205; 20.3813; 30.1755
90; 90; 90
11697.9Qu, Hang; Tang, Xiao; Wang, Xinchang; Li, Zhihao; Huang, Zheyu; Zhang, Hui; Tian, Zhongqun; Cao, Xiaoyu
Chiral molecular face-rotating sandwich structures constructed through restricting the phenyl flipping of tetraphenylethylene.
Chemical science, 2018, 9, 8814-8818
1549936 CIFC20 H26 Cu F18 N8 O P3C 1 2/m 122.923; 11.8528; 15.482
90; 127.476; 90
3338.3Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E
A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate.
Chemical science, 2018, 9, 8307-8314
1549937 CIFC42 H59 Cu4 F24 N17 O4 P4 S4C 1 c 126.95; 11.628; 21.3978
90; 90.293; 90
6705.4Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E
A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate.
Chemical science, 2018, 9, 8307-8314
1549938 CIFC22 H28 F18 N11 O P3P -110.1257; 12.8486; 14.7435
110.335; 96.001; 97.292
1761.1Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E
A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate.
Chemical science, 2018, 9, 8307-8314
1549939 CIFC37 H36 Cl4 Cu3 F9 N16 O11 S3P 1 21/n 113.8276; 17.576; 22.488
90; 97.359; 90
5420.3Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E
A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate.
Chemical science, 2018, 9, 8307-8314
1549940 CIFC15 H11 F O2I 1 2/a 113.2572; 5.1221; 16.7741
90; 97.5575; 90
1129.15Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.
A quantitative reactivity scale for electrophilic fluorinating reagents.
Chemical science, 2018, 9, 8692-8702
1549941 CIFC17 H15 F O2C 1 2/c 111.1604; 11.7655; 10.819
90; 114.318; 90
1294.57Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.
A quantitative reactivity scale for electrophilic fluorinating reagents.
Chemical science, 2018, 9, 8692-8702
1549942 CIFC17 H15 F O2P 1 21/c 18.5592; 12.9739; 12.3376
90; 102.407; 90
1338.05Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.
A quantitative reactivity scale for electrophilic fluorinating reagents.
Chemical science, 2018, 9, 8692-8702
1549943 CIFC15 H9 F3 O2P 1 21 14.3647; 11.5018; 12.3118
90; 94.065; 90
616.52Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.
A quantitative reactivity scale for electrophilic fluorinating reagents.
Chemical science, 2018, 9, 8692-8702
1549944 CIFC15 H9 Cl2 F O2P n m a6.0944; 30.676; 6.881
90; 90; 90
1286.4Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.
A quantitative reactivity scale for electrophilic fluorinating reagents.
Chemical science, 2018, 9, 8692-8702
1549945 CIFC17 H15 F O4C m c 2131.944; 7.0229; 6.1827
90; 90; 90
1387.02Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.
A quantitative reactivity scale for electrophilic fluorinating reagents.
Chemical science, 2018, 9, 8692-8702

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