Crystallography Open Database

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1550401 CIFC77 H66 Cl2 N10 O12P -113.861; 15.962; 17.258
69.871; 75.157; 81.221
3457Chen, Huaiyu; Huang, Chao; Ding, Yazhou; Zhang, Qi-Long; Zhu, Bi-Xue; Ni, Xin-Long
Organic core‒shell-shaped micro/nanoparticles from twisted macrocycles in Schiff base reaction
Chemical Science, 2019, 10, 490
1550402 CIFC15 H12 O4P 1 21/n 17.804; 11.72; 13.252
90; 94.565; 90
1208.2Chen, Huaiyu; Huang, Chao; Ding, Yazhou; Zhang, Qi-Long; Zhu, Bi-Xue; Ni, Xin-Long
Organic core‒shell-shaped micro/nanoparticles from twisted macrocycles in Schiff base reaction
Chemical Science, 2019, 10, 490
1550817 CIFC194 H412 Ag84 O90 S42 W14P -120.2607; 20.6711; 26.2425
109.714; 100.1; 109.009
9266.3Wang, Zhi; Sun, Hao-Tian; Kurmoo, Mohamedally; Liu, Qing-Yun; Zhuang, Gui-Lin; Zhao, Quan-Qin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di
Carboxylic acid stimulated silver shell isomerism in a triple core–shell Ag <sub>84</sub> nanocluster
Chemical Science, 2019, 10, 4862-4867
1550818 CIFC246 H370 Ag84 O88 S42 W14P -121.5617; 22.2473; 24.5285
74.1307; 70.9758; 68.5642
10193.5Wang, Zhi; Sun, Hao-Tian; Kurmoo, Mohamedally; Liu, Qing-Yun; Zhuang, Gui-Lin; Zhao, Quan-Qin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di
Carboxylic acid stimulated silver shell isomerism in a triple core–shell Ag <sub>84</sub> nanocluster
Chemical Science, 2019, 10, 4862-4867
1550850 CIFC20 H31 B Cl2 NP 1 21/n 110.8935; 9.2955; 20.3854
90; 98.385; 90
2042.2Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger
Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes
Chemical Science, 2019, 10, 5095-5103
1550851 CIFC43.5 H67 B N2P -19.1887; 11.6671; 18.914
78.726; 77.377; 88.791
1940Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger
Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes
Chemical Science, 2019, 10, 5095-5103
1550852 CIFC26 H46 B Cl N PP 1 21/n 115.725; 10.7595; 17.237
90; 117.084; 90
2596.6Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger
Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes
Chemical Science, 2019, 10, 5095-5103
1550853 CIFC41 H55 B Cl N3P 1 21 112.5496; 16.2449; 18.6655
90; 103.896; 90
3693.9Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger
Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes
Chemical Science, 2019, 10, 5095-5103
1550854 CIFC47 H70 B Cl N2C 1 2/c 112.9399; 14.8972; 21.64
90; 98.624; 90
4124.3Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger
Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes
Chemical Science, 2019, 10, 5095-5103
1550855 CIFC23 H40 B Cl N PP -19.5037; 10.6623; 14.192
109.04; 92.35; 116.165
1190.8Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger
Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes
Chemical Science, 2019, 10, 5095-5103
1550856 CIFC27 H43 B Cl N3P -19.1055; 10.5101; 13.919
87.33; 88.935; 77.336
1298.2Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger
Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes
Chemical Science, 2019, 10, 5095-5103
1550857 CIFC53 H79 B Li N3 O3P 1 21/c 111.7584; 20.9712; 19.9511
90; 90.364; 90
4919.6Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger
Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes
Chemical Science, 2019, 10, 5095-5103
1550858 CIFC21 H34 B Cl2 K N S0.5C 1 2/c 122.7921; 17.8985; 14.2655
90; 105.321; 90
5612.7Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger
Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes
Chemical Science, 2019, 10, 5095-5103
1550859 CIFC41 H57 B Cl N3P -110.8472; 11.1775; 18.8985
79.591; 76.738; 71.31
2098.3Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger
Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes
Chemical Science, 2019, 10, 5095-5103
1550860 CIFC20 H31 B Cl3 NP 1 21/n 116.2908; 8.818; 16.4186
90; 118.727; 90
2068.28Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger
Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes
Chemical Science, 2019, 10, 5095-5103
1550861 CIFC53 H87 B Li N3 O6P 1 21/c 127.0965; 11.3646; 37.7243
90; 90.738; 90
11615.9Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger
Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes
Chemical Science, 2019, 10, 5095-5103
1550872 CIFC28 H29 N2 PP 1 21 19.37; 31.24; 15.94
90; 91.6; 90
4664.1Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.
Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence
Chemical Science, 2019, 10, 4742-4749
1550873 CIFC56 H56 N4 P2 Rb2P 21 21 2112.359; 13.352; 30.833
90; 90; 90
5088Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.
Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence
Chemical Science, 2019, 10, 4742-4749
1550874 CIFC56 H56 N4 Na2 P2P 1 21 111.854; 18.092; 12.986
90; 116.13; 90
2500.4Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.
Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence
Chemical Science, 2019, 10, 4742-4749
1550875 CIFC56 H56 K2 N4 P2P 21 21 2112.481; 13.11; 30.547
90; 90; 90
4998.3Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.
Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence
Chemical Science, 2019, 10, 4742-4749
1550876 CIFC56 H56 Li2 N4 P2P 112.7; 12.756; 43.4
81.58; 88.39; 60.36
6037Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.
Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence
Chemical Science, 2019, 10, 4742-4749
1550877 CIFC84 H84 Cs3 N6 P3P 21 21 2113.693; 17.008; 32.906
90; 90; 90
7663Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.
Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence
Chemical Science, 2019, 10, 4742-4749
1551204 CIFC52 H142 N7 Na O7 Si12 Th2P 1 21/c 112.391; 23.18; 29.92
90; 90.96; 90
8593Staun, Selena L.; Sergentu, Dumitru-Claudiu; Wu, Guang; Autschbach, Jochen; Hayton, Trevor W.
Use of <sup>15</sup> N NMR spectroscopy to probe covalency in a thorium nitride
Chemical Science, 2019, 10, 6431-6436
1551205 CIFC56 H148 K N7 O8 Si12 Th2P -111.893; 14.617; 14.62
74.546; 71.051; 71.238
2238.5Staun, Selena L.; Sergentu, Dumitru-Claudiu; Wu, Guang; Autschbach, Jochen; Hayton, Trevor W.
Use of <sup>15</sup> N NMR spectroscopy to probe covalency in a thorium nitride
Chemical Science, 2019, 10, 6431-6436
1551206 CIFC18 H56 N4 Si6 ThR -3 c :H18.497; 18.497; 16.973
90; 90; 120
5029Staun, Selena L.; Sergentu, Dumitru-Claudiu; Wu, Guang; Autschbach, Jochen; Hayton, Trevor W.
Use of <sup>15</sup> N NMR spectroscopy to probe covalency in a thorium nitride
Chemical Science, 2019, 10, 6431-6436
1554592 CIFC15 H14 O7P 1 21 17.1336; 7.3556; 13.246
90; 102.455; 90
678.7Szwalbe, Agnieszka J.; Williams, Katherine; Song, Zhongshu; de Mattos-Shipley, Kate; Vincent, Jason L.; Bailey, Andrew M.; Willis, Christine L.; Cox, Russell J.; Simpson, Thomas J.
Characterisation of the biosynthetic pathway to agnestins A and B reveals the reductive route to chrysophanol in fungi.
Chemical science, 2019, 10, 233-238
1554593 CIFC15 H13 O6.5P 21 21 217.4082; 7.9771; 43.956
90; 90; 90
2597.6Szwalbe, Agnieszka J.; Williams, Katherine; Song, Zhongshu; de Mattos-Shipley, Kate; Vincent, Jason L.; Bailey, Andrew M.; Willis, Christine L.; Cox, Russell J.; Simpson, Thomas J.
Characterisation of the biosynthetic pathway to agnestins A and B reveals the reductive route to chrysophanol in fungi.
Chemical science, 2019, 10, 233-238
1554594 CIFC152 H144 Cd4 F24 N28 O24 S8F -4 3 c34.3297; 34.3297; 34.3297
90; 90; 90
40458.5Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.
Waterproof architectures through subcomponent self-assembly.
Chemical science, 2019, 10, 2006-2018
1554595 CIFC160.5 H126.25 B3 F27 N29.25 Ni4 O15.25 S5C 1 2/c 134.257; 18.552; 54.149
90; 97.09; 90
34150Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.
Waterproof architectures through subcomponent self-assembly.
Chemical science, 2019, 10, 2006-2018
1554596 CIFC78.83 H76.5 F17.5 K0.83 N15.5 O11.5 S3.83 Sb Zn2R -3 :H14.93; 14.93; 68.868
90; 90; 120
13294Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.
Waterproof architectures through subcomponent self-assembly.
Chemical science, 2019, 10, 2006-2018
1554597 CIFC153 H132 Cd4 F69 N32 O3 S Sb7P 21 326.441; 26.441; 26.441
90; 90; 90
18486Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.
Waterproof architectures through subcomponent self-assembly.
Chemical science, 2019, 10, 2006-2018
1554598 CIFC531.5 H392.25 F48 N82.25 Ni8 O53.25 S16 Zn6P 4/n :234.21; 34.21; 27.215
90; 90; 90
31850Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.
Waterproof architectures through subcomponent self-assembly.
Chemical science, 2019, 10, 2006-2018
1554599 CIFC70.5 H64.5 F19.5 N15.5 O4.5 S1.5 Sb2.5 Zn2C 1 2 132.3977; 31.639; 22.0583
90; 123.314; 90
18894.9Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.
Waterproof architectures through subcomponent self-assembly.
Chemical science, 2019, 10, 2006-2018
1554600 CIFC543 H406 Co8 F48 N83.5 O53.75 S16 Zn6P 4/n :234.3; 34.3; 27.428
90; 90; 90
32269Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.
Waterproof architectures through subcomponent self-assembly.
Chemical science, 2019, 10, 2006-2018
1554601 CIFC65 H73 Ca I N11 O4 UP 1 21/c 117.4073; 15.531; 33.3439
90; 114.157; 90
8225.2Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.
Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study
Chemical Science, 2019, 10, 9740
1554602 CIFC77 H77 N15 O2 Rb UP 21 21 2113.6821; 21.8875; 24.244
90; 90; 90
7260.28Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.
Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study
Chemical Science, 2019, 10, 9740
1554603 CIFC62 H62 I N12 O2 U ZnP 21 21 2113.273; 16.4368; 27.8646
90; 90; 90
6079.1Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.
Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study
Chemical Science, 2019, 10, 9740
1554604 CIFC87 H87 Cl N9 O2 Ti UP 1 21/c 120.517; 21.431; 19.018
90; 117.115; 90
7443Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.
Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study
Chemical Science, 2019, 10, 9740
1554605 CIFC86.48 H86.48 Cl3 Mg N15 O2 U ZrC 1 2/c 147.424; 14.484; 30.602
90; 127.576; 90
16659Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.
Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study
Chemical Science, 2019, 10, 9740
1554606 CIFC57 H57 Cl N11 O2 U ZnI 1 2/a 128.7327; 22.93; 24.8036
90; 102.077; 90
15979.9Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.
Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study
Chemical Science, 2019, 10, 9740
1554607 CIFC82 H86 Cl N12 O3 U ZrP 1 21/c 120.2769; 21.7767; 18.5794
90; 115.829; 90
7384.4Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.
Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study
Chemical Science, 2019, 10, 9740
1554608 CIFC87 H87 Cl Mg N17 O2 UI 1 2/a 124.852; 23.01; 28.754
90; 102.183; 90
16073Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.
Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study
Chemical Science, 2019, 10, 9740
1554609 CIFC312 H312 Cs6 N60 O12 U6R -3 :H27.7671; 27.7671; 35.7644
90; 90; 120
23880.5Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.
Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study
Chemical Science, 2019, 10, 9740
1555232 CIFC19 H21 Br Cl N O2P 1 21 19.5181; 11.3448; 18.2344
90; 105.143; 90
1900.6Monasterolo, Claudio; Müller-Bunz, Helge; Gilheany, Declan G.
Very short highly enantioselective Grignard synthesis of 2,2-disubstituted tetrahydrofurans and tetrahydropyrans.
Chemical science, 2019, 10, 6531-6538
1555234 CIFC31 H30 F3 Ir N6P -114.228; 15.407; 16.166
86.526; 65.199; 85.672
3206Na, Hanah; Cañada, Louise M; Wen, Zhili; I-Chia Wu, Judy; Teets, Thomas S.
Mixed-carbene cyclometalated iridium complexes with saturated blue luminescence.
Chemical science, 2019, 10, 6254-6260
1555235 CIFC39 H34 F3 Ir N6C 1 2/c 127.27; 20.718; 14.832
90; 116.007; 90
7531Na, Hanah; Cañada, Louise M; Wen, Zhili; I-Chia Wu, Judy; Teets, Thomas S.
Mixed-carbene cyclometalated iridium complexes with saturated blue luminescence.
Chemical science, 2019, 10, 6254-6260
1555238 CIFC26 H54 N2 O2 Zn2P 42/n :212.3523; 12.3523; 19.4557
90; 90; 90
2968.54Budny-Godlewski, Krzysztof; Justyniak, Iwona; Leszczyński, Michał K; Lewiński, Janusz
Mechanochemical and slow-chemistry radical transformations: a case of diorganozinc compounds and TEMPO.
Chemical science, 2019, 10, 7149-7155
1555239 CIFC30 H46 N2 O2 Zn2P 1 21/c 19.4169; 30.0759; 10.6586
90; 106.582; 90
2893.2Budny-Godlewski, Krzysztof; Justyniak, Iwona; Leszczyński, Michał K; Lewiński, Janusz
Mechanochemical and slow-chemistry radical transformations: a case of diorganozinc compounds and TEMPO.
Chemical science, 2019, 10, 7149-7155
1555240 CIFC30 H46 N2 O2 ZnP 1 21/c 110.525; 22.503; 12.296
90; 95.834; 90
2897.15Budny-Godlewski, Krzysztof; Justyniak, Iwona; Leszczyński, Michał K; Lewiński, Janusz
Mechanochemical and slow-chemistry radical transformations: a case of diorganozinc compounds and TEMPO.
Chemical science, 2019, 10, 7149-7155
1555245 CIFC21 H19 Cl O3P 1 21/c 120.4519; 8.3981; 29.0733
90; 133.17; 90
3641.9Yu, Zhunzhun; Li, Yongfeng; Zhang, Peichao; Liu, Lu; Zhang, Junliang
Ligand and counteranion enabled regiodivergent C-H bond functionalization of naphthols with α-aryl-α-diazoesters.
Chemical science, 2019, 10, 6553-6559

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