Crystallography Open Database

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1549557 CIFC17 H18 F3 N O3 SP 21 21 218.0524; 10.279; 21.1646
90; 90; 90
1751.8Pan, Chongqing; Guo, Wenjing; Gu, Zhenhua
Unusual biaryl torsional strain promotes reactivity in Cu-catalyzed Sommelet-Hauser rearrangement.
Chemical science, 2018, 9, 5850-5854
1549558 CIFC17 H20 I2 In N O6P -18.5335; 8.9158; 15.6189
94.244; 92.845; 113.418
1083.39Kita, 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 CIFC10 H8 I3 In O2P -17.2953; 10.6797; 10.9105
71.041; 73.634; 78.807
766.42Kita, 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 CIFC16 H9 Cl O3P 21 21 213.8763; 12.0424; 26.146
90; 90; 90
1220.5Kita, 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 CIFC9 H4 I N O4P -18.749; 9.0176; 12.167
92.712; 100.266; 92.8365
941.85Kita, 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 CIFC49 H46 Cl4 Os P2 SiP 1 21/c 111.60758; 16.9798; 22.4892
90; 94.829; 90
4416.76Ruan, 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 CIFC53 H48 Cl4 Os P2 SiI 1 2 113.9889; 16.453; 21.3301
90; 97.273; 90
4869.82Ruan, 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 CIFC55 H52 Cl8 Os P2 SiP 1 21/m 111.4227; 17.2735; 13.9125
90; 102.838; 90
2676.46Ruan, 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 CIFC36 H36 As Cl F6 N9 O6 S2P 1 21/c 114.2067; 15.9799; 18.6556
90; 94.05; 90
4224.6Swidan, 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 CIFC37 H39 As F9 N9 O9 S3P 1 21/c 114.0065; 15.9167; 21.8331
90; 107.966; 90
4630.08Swidan, 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 CIFC25 H19.5 N7.5 PP 1 21/n 113.0553; 25.1646; 14.6359
90; 114.619; 90
4371.2Swidan, 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 CIFC37 H39 F11 N9 O9 P S3P -113.753; 14.06; 14.321
109.504; 98.444; 111.998
2300Swidan, 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 CIFC36 H39 F7 N9 O6 S2 SbP -113.1877; 13.3482; 13.4824
79.6653; 63.0215; 84.7868
2080.63Swidan, 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 CIFC39 H42 F9 N10 O9 P S3P -110.8599; 10.9646; 20.3805
81.217; 83.234; 89.295
2381.6Swidan, 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 CIFC38 H40.5 F9 N9.5 O9 S3 SbP -112.726; 18.899; 20.823
102.659; 97.475; 99.315
4750Swidan, 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 CIFC27 H28 N4 O2C 1 2/c 122.679; 10.176; 21.562
90; 94.879; 90
4958Zhang, 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 CIFC23 H20 I4 N2 OP -17.3405; 11.1063; 16.76
83.668; 77.493; 78.301
1303.08Riel, 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 CIFC23 H20 Br2 I2 N2 OP -17.28; 10.9585; 16.0936
89.758; 79.735; 78.541
1237.53Riel, 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 CIFC24 H16 F7 I2 N3 O6 S2P -18.0582; 11.0044; 17.7067
99.618; 91.239; 104.624
1494.58Riel, 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 CIFC24 H16 F6 I2 N2 O6 S2P b c n22.337; 12.7364; 10.9081
90; 90; 90
3103.3Riel, 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 CIFC22 H16 Br2 F I2 N3P 1 21/c 110.9739; 17.8839; 12.1266
90; 102.951; 90
2319.4Riel, 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 CIFC36 H44 F I4 N3P 1 21/c 117.086; 18.092; 13.3174
90; 111.458; 90
3831.3Riel, 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 CIFC22 H16 Cl2 I2 N2P 1 21/c 19.1408; 18.1854; 13.7305
90; 100.82; 90
2241.83Riel, 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 CIFC32 H27 Cl3 N2 O7 SP 1 21 110.664; 10.372; 14.789
90; 104.778; 90
1581.7Hatano, 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 CIFC15 H16 Br N O5P 1 21 15.8577; 14.389; 9.621
90; 94.654; 90
808.2Hatano, 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 CIFC67 H60 Cl2 N2 O8 P2P 21 21 2111.4778; 13.6448; 36.849
90; 90; 90
5771Hatano, 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 CIFC47 H56 O8 P2P -112.7831; 14.6459; 14.8
116.231; 101.896; 102.26
2282.2Hatano, 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 CIFC26 H27 F N2 O4P -17.8572; 10.5461; 14.099
70.648; 88.911; 85.089
1098.2Mori, 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 CIFC26 H28 N2 O4P -17.945; 10.546; 14.045
70.523; 88.065; 83.805
1103Mori, 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 CIFC26 H28 N2 O4P 1 21/n 17.6953; 15.2435; 18.799
90; 97.426; 90
2186.7Mori, 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 CIFC51 H59 N2 Ni SP 1 21/c 113.0333; 16.6343; 19.8726
90; 96.392; 90
4281.6Hartmann, 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 CIFC55.66667 H72 N2 Ni SP -112.686; 19.394; 30.321
88.294; 80.235; 81.137
7264Hartmann, 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 CIFC102 H172 K2 N4 Ni2 O12 S2P 1 21/n 118.558; 16.822; 19.0552
90; 96.441; 90
5911.2Hartmann, 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 CIFC53 H89 K N4 Ni O6 SP 1 21/n 112.7125; 22.4934; 20.0532
90; 102.126; 90
5606.2Hartmann, 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 CIFC56 H80 K N2 Ni O6 SP -113.1937; 13.2978; 16.6951
88.621; 74.52; 88.213
2821.1Hartmann, 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 CIFC108.5 H175 K2 N8 Ni2 O14 S2P -111.847; 13.438; 19.455
94.052; 95.344; 91.766
3073.9Hartmann, 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 CIFC24 H23 I N2 O3P 21 21 216.8489; 15.7645; 19.4642
90; 90; 90
2101.54Meazza, 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 CIFC18 H19 N O5 SP 21 21 2119.1685; 5.7871; 14.8903
90; 90; 90
1651.78Li, 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 CIFC33 H22 N4 OP 1 21/c 19.3334; 19.56; 13.636
90; 94.259; 90
2482.5Ni, 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 CIFC66 H44 N10 O8 ZnP 1 21/c 113.3069; 18.6034; 27.4104
90; 102.321; 90
6629.3Ni, 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 CIFC33 H22 N6 O7 ZnP -110.4399; 11.3331; 13.2139
100.001; 99.774; 99.056
1488.9Ni, 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 CIFC48 H86 B Fe K2 N2 O6 P3P 1 n 112.8973; 12.5342; 17.2106
90; 98.668; 90
2750.4Deegan, 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 CIFC64 H95 B Fe K N2 O10 P3P 1 21/c 111.3464; 35.5398; 15.8541
90; 90.839; 90
6392.5Deegan, 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 CIFC47 H81 B Fe N3 P3 Si2P b c a11.3085; 24.2407; 37.5101
90; 90; 90
10282.5Deegan, 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 CIFC49 H85 B Fe K N2 O P3 SiP -112.4653; 13.091; 21.997
97.411; 95.734; 117.826
3095Deegan, 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 CIFC79.22 H90.92 B2 F24 Fe N P3P 1 21/c 127.577; 15.5573; 38.526
90; 100.863; 90
16232Deegan, 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 CIFC14 H21 B10 NP 1 21/c 17.8295; 25.776; 11.1821
90; 128.014; 90
1778Lyu, 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 CIFC14 H24 B10 Cl N OP 1 21/n 111.4617; 7.484; 23.7344
90; 96.0865; 90
2024.45Lyu, 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 CIFC18 H22 B10 NA m a 27.224; 24.584; 11.2382
90; 90; 90
1995.85Lyu, 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 CIFC49 H48 Br N O3P 21 21 2110.118; 14.0353; 28.194
90; 90; 90
4003.8Santra, 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
1549641 CIFC35 H40 N2 O4P 1 21 114.151; 14.717; 16.184
90; 111.316; 90
3139.9Santra, 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
1549642 CIFC36 H43 N2 O6 SP 1 21 111.571; 25.09; 11.915
90; 90; 90
3459.1Santra, 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
1549643 CIFC138 H132 Dy10 N32 O54 P4P 1 21/c 124.731; 14.057; 25.496
90; 112.797; 90
8171Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min
Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.
Chemical science, 2018, 9, 6424-6433
1549644 CIFC134 H148 Dy10 N32 O66 P4P 1 21/c 124.653; 14.5645; 26.067
90; 112.969; 90
8617.5Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min
Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.
Chemical science, 2018, 9, 6424-6433
1549645 CIFC134 H148 Dy10 N32 O66 P4P 1 21/c 124.6145; 14.5657; 26.0805
90; 112.968; 90
8609.3Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min
Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.
Chemical science, 2018, 9, 6424-6433
1549646 CIFC134 H112 Dy10 N32 O50 P4P 1 21/c 125.525; 14.312; 25.318
90; 111.413; 90
8611Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min
Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.
Chemical science, 2018, 9, 6424-6433
1549647 CIFC140 H132 Cl6 Dy10 N32 O52 P4R 3 2 :H26.7135; 26.7135; 71.325
90; 90; 120
44079Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min
Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.
Chemical science, 2018, 9, 6424-6433
1549648 CIFC70 H120 Cu13 F6 N6 O8 P S12C 1 2/c 133.833; 18.7022; 36.604
90; 111.908; 90
21489Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.
Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.
Chemical science, 2018, 9, 6785-6795
1549649 CIFC70 H120 Cu12 N6 O8 S13P 21 21 2118.2449; 23.218; 23.3841
90; 90; 90
9905.7Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.
Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.
Chemical science, 2018, 9, 6785-6795
1549650 CIFC85 H102 Cl0.7 Cu12.3 F30 N6 O P S12P n n a21.8103; 22.977; 22.0395
90; 90; 90
11044.8Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.
Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.
Chemical science, 2018, 9, 6785-6795
1549651 CIFC87.5 H131 Cl Cu12 F6 N6 O0.5 P S12P -117.6501; 19.8146; 32.8484
86.5157; 89.7691; 75.775
11114.5Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.
Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.
Chemical science, 2018, 9, 6785-6795
1549652 CIFC86 H128 Br Cu12 F6 N6 P S12P -117.7551; 19.6625; 32.767
85.8425; 85.698; 76.1094
11055.9Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.
Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.
Chemical science, 2018, 9, 6785-6795
1549653 CIFC132 H234 Cl5 Cu24 F6 N12 O12 P S24C 1 2/c 131.396; 19.8294; 33.181
90; 97.8261; 90
20465Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.
Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.
Chemical science, 2018, 9, 6785-6795
1549654 CIFC74 H128 Cu12 N6 O8 S13P 21 21 2119.1023; 23.8001; 24.5421
90; 90; 90
11157.7Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.
Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.
Chemical science, 2018, 9, 6785-6795
1549655 CIFC52 H62 Fe N5 O4 S2P -110.175; 16.218; 16.588
84.402; 81.108; 76.3
2622.2Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.
Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.
Chemical science, 2018, 9, 6540-6547
1549656 CIFC62 H87 Co N6 O4.5 S2P 1 21/n 117.4061; 10.7648; 31.052
90; 91.3044; 90
5816.8Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.
Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.
Chemical science, 2018, 9, 6540-6547
1549657 CIFC50 H72 Ga N5 O6 S2P 1 21/c 116.1329; 27.6083; 13.2048
90; 105.613; 90
5664.4Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.
Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.
Chemical science, 2018, 9, 6540-6547
1549658 CIFC56 H70 Co N5 O5 S2P -118.006; 18.271; 18.568
110.972; 109.602; 95.477
5209.6Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.
Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.
Chemical science, 2018, 9, 6540-6547
1549659 CIFC59 H93 Fe N5 O6 S2P -19.4615; 18.3994; 18.765
107.605; 100.024; 93.8094
3041.4Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.
Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.
Chemical science, 2018, 9, 6540-6547
1549660 CIFC60 H82 Fe N6 O4 S2P -110.6709; 17.4933; 17.8715
113.478; 98.8759; 91.3574
3009.9Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.
Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.
Chemical science, 2018, 9, 6540-6547
1549663 CIFC22 H21 N O3 SP -19.3819; 10.3076; 10.6318
90.7648; 114.212; 100.138
918.87Leitch, Jamie A.; Fuentes de Arriba, Angel L.; Tan, Joanne; Hoff, Oskar; Martínez, Carlos M; Dixon, Darren J.
Photocatalytic reverse polarity Povarov reaction.
Chemical science, 2018, 9, 6653-6658
1549671 CIFC110 H82 Cu4 N2 O24P -115.9653; 17.691; 18.2258
61.811; 88.11; 64.125
3983.8Craig, Gavin A.; Larpent, Patrick; Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu; Furukawa, Shuhei
Switchable gate-opening effect in metal-organic polyhedra assemblies through solution processing.
Chemical science, 2018, 9, 6463-6469
1549672 CIFC152 H164 Cu4 O34P 1 21/n 118.5382; 25.36; 19.6509
90; 116.08; 90
8297.8Craig, Gavin A.; Larpent, Patrick; Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu; Furukawa, Shuhei
Switchable gate-opening effect in metal-organic polyhedra assemblies through solution processing.
Chemical science, 2018, 9, 6463-6469
1549673 CIFC108.67 H59 N O24 Rh4P -117.9146; 18.0902; 27.6891
77.345; 83.125; 61.947
7725.35Craig, Gavin A.; Larpent, Patrick; Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu; Furukawa, Shuhei
Switchable gate-opening effect in metal-organic polyhedra assemblies through solution processing.
Chemical science, 2018, 9, 6463-6469
1549676 CIFC10 H24 N7 Ni O9C 1 2/c 112.8157; 8.8179; 15.3168
90; 106.818; 90
1656.88Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P.
Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes.
Chemical science, 2018, 9, 6564-6571
1549677 CIFC10 H26 Co0.9 N9 Ni0.1 O15P -17.371; 8.496; 9.08
89.163; 76.951; 81.894
548.3Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P.
Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes.
Chemical science, 2018, 9, 6564-6571
1549678 CIFC10 H26 N9 Ni O15P -17.4549; 9.0814; 16.935
88.505; 81.132; 76.008
1099.1Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P.
Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes.
Chemical science, 2018, 9, 6564-6571
1549679 CIFC12 H24 Cl N6 Ni O4 S2P -17.59; 8.72; 15.75
83.72; 81.37; 80.39
1012Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P.
Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes.
Chemical science, 2018, 9, 6564-6571
1549682 CIFC72 H72 Cl9 N7 O8P 21 21 2113.2969; 22.3943; 25.1034
90; 90; 90
7475.2Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan
Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.
Chemical science, 2018, 9, 6860-6870
1549683 CIFC53 H53 Cl3 N8 O5P 1 21 19.7198; 18.6592; 14.0802
90; 90.161; 90
2553.6Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan
Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.
Chemical science, 2018, 9, 6860-6870
1549684 CIFC72 H87.5 N8 O11.75P 1 21 115.5782; 18.4753; 24.4315
90; 91.976; 90
7027.5Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan
Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.
Chemical science, 2018, 9, 6860-6870
1549685 CIFC70.79 H77.17 N7 O10.4P 21 21 2122.0413; 23.2593; 25.4959
90; 90; 90
13070.9Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan
Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.
Chemical science, 2018, 9, 6860-6870
1549686 CIFC70.57 H83.27 N7 O9.57P 21 21 2110.5967; 21.5835; 28.6986
90; 90; 90
6563.8Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan
Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.
Chemical science, 2018, 9, 6860-6870
1549705 CIFC52 H60 B F24 Fe P4I -413.2989; 13.2989; 17.4417
90; 90; 90
3084.75Doyle, Laurence R.; Scott, Daniel J.; Hill, Peter J.; Fraser, Duncan A. X.; Myers, William K.; White, Andrew J. P.; Green, Jennifer C.; Ashley, Andrew E.
Reversible coordination of N<sub>2</sub> and H<sub>2</sub> to a homoleptic <i>S</i> = 1/2 Fe(i) diphosphine complex in solution and the solid state.
Chemical science, 2018, 9, 7362-7369
1549706 CIFC19 H18 N2 OP 1 21/c 111.268; 16.335; 9.5163
90; 114.91; 90
1588.6Lv, Honggui; Xiao, Li-Jun; Zhao, Dongbing; Zhou, Qi-Lin
Nickel(0)-catalyzed linear-selective hydroarylation of unactivated alkenes and styrenes with aryl boronic acids.
Chemical science, 2018, 9, 6839-6843
1549707 CIFC47 H52 Fe N5 O6 PP -112.7848; 13.0223; 13.1304
93.792; 92.468; 90.347
2179.2Hong, Seungwoo; Yan, James J.; Karmalkar, Deepika G.; Sutherlin, Kyle D.; Kim, Jin; Lee, Yong-Min; Goo, Yire; Mascharak, Pradip K.; Hedman, Britt; Hodgson, Keith O.; Karlin, Kenneth D.; Solomon, Edward I.; Nam, Wonwoo
A mononuclear nonheme {FeNO}<sup>6</sup> complex: synthesis and structural and spectroscopic characterization.
Chemical science, 2018, 9, 6952-6960
1549708 CIFC51 H94 Fe N7 O6P 1 21/c 118.404; 18.521; 17.725
90; 102.745; 90
5893Hong, Seungwoo; Yan, James J.; Karmalkar, Deepika G.; Sutherlin, Kyle D.; Kim, Jin; Lee, Yong-Min; Goo, Yire; Mascharak, Pradip K.; Hedman, Britt; Hodgson, Keith O.; Karlin, Kenneth D.; Solomon, Edward I.; Nam, Wonwoo
A mononuclear nonheme {FeNO}<sup>6</sup> complex: synthesis and structural and spectroscopic characterization.
Chemical science, 2018, 9, 6952-6960
1549709 CIFC39 H33 F12 N7 P2 RuP -111.0216; 14.4762; 14.5765
83.804; 85.851; 69.748
2167.64Al-Afyouni, Malik H; Rohrabaugh, Jr, Thomas N; Al-Afyouni, Kathlyn F; Turro, Claudia
New Ru(ii) photocages operative with near-IR light: new platform for drug delivery in the PDT window.
Chemical science, 2018, 9, 6711-6720
1549710 CIFC39 H29 F12 N7 P2 RuP -111.9502; 13.3979; 13.5014
82.904; 83.437; 79.213
2097.98Al-Afyouni, Malik H; Rohrabaugh, Jr, Thomas N; Al-Afyouni, Kathlyn F; Turro, Claudia
New Ru(ii) photocages operative with near-IR light: new platform for drug delivery in the PDT window.
Chemical science, 2018, 9, 6711-6720
1549711 CIFC30 H25 F3 N4 O2 P0.5 RuC 1 2/m 118.547; 23.5958; 17.833
90; 119.975; 90
6760.4Al-Afyouni, Malik H; Rohrabaugh, Jr, Thomas N; Al-Afyouni, Kathlyn F; Turro, Claudia
New Ru(ii) photocages operative with near-IR light: new platform for drug delivery in the PDT window.
Chemical science, 2018, 9, 6711-6720
1549716 CIFC13 H18 N2 SP 21 21 220.7206; 9.8606; 6.3486
90; 90; 90
1297.13Formica, Michele; Sorin, Geoffroy; Farley, Alistair J. M.; Díaz, Jesús; Paton, Robert S.; Dixon, Darren J.
Bifunctional iminophosphorane catalysed enantioselective sulfa-Michael addition of alkyl thiols to alkenyl benzimidazoles.
Chemical science, 2018, 9, 6969-6974
1549723 CIFC24 H19 Cl4 RhP 1 21/c 114.3151; 6.8774; 23.4347
90; 106.959; 90
2206.84Yang, Junfeng; Shen, Yixiao; Lim, Yang Jie; Yoshikai, Naohiko
Divergent ring-opening coupling between cyclopropanols and alkynes under cobalt catalysis.
Chemical science, 2018, 9, 6928-6934
1549724 CIFC15 H9 F7.05P b c m12.069; 30.5791; 36.076
90; 90; 90
13314.2Font, Marc; Spencer, Andrew R. A.; Larrosa, Igor
<i>meta</i>-C-H arylation of fluoroarenes <i>via</i> traceless directing group relay strategy.
Chemical science, 2018, 9, 7133-7137
1549725 CIFC15 H12 F2 O2P 1 21/c 113.442; 13.4424; 7.0546
90; 93.892; 90
1271.8Font, Marc; Spencer, Andrew R. A.; Larrosa, Igor
<i>meta</i>-C-H arylation of fluoroarenes <i>via</i> traceless directing group relay strategy.
Chemical science, 2018, 9, 7133-7137
1549726 CIFC29 H39 Cl5 Cu N2 O6 S2P 1 21/c 18.4746; 9.5148; 45.506
90; 91.765; 90
3667.6Olavarría-Contreras, Ignacio José; Etcheverry-Berríos, Alvaro; Qian, Wenjie; Gutiérrez-Cerón, Cristian; Campos-Olguín, Aldo; Sañudo, E Carolina; Dulić, Diana; Ruiz, Eliseo; Aliaga-Alcalde, Núria; Soler, Monica; van der Zant, Herre S. J.
Electric-field induced bistability in single-molecule conductance measurements for boron coordinated curcuminoid compounds.
Chemical science, 2018, 9, 6988-6996
1549727 CIFC21 H20 O2 S2P 1 21/n 113.7982; 5.5253; 24.9052
90; 103.39; 90
1847.14Olavarría-Contreras, Ignacio José; Etcheverry-Berríos, Alvaro; Qian, Wenjie; Gutiérrez-Cerón, Cristian; Campos-Olguín, Aldo; Sañudo, E Carolina; Dulić, Diana; Ruiz, Eliseo; Aliaga-Alcalde, Núria; Soler, Monica; van der Zant, Herre S. J.
Electric-field induced bistability in single-molecule conductance measurements for boron coordinated curcuminoid compounds.
Chemical science, 2018, 9, 6988-6996
1549730 CIFC98 H60 Cu9 N36 O6 SC 1 2/c 132.7; 10.89; 30.813
90; 114.97; 90
9947Yu, Fei; Kurmoo, Mohamedally; Zhuang, Gui-Lin; Zuo, Jing-Lin
Hierarchical tandem assembly of planar [3×3] building units into {3×[3×3]} oligomers: mixed-valency, electrical conductivity and magnetism.
Chemical science, 2018, 9, 7498-7504
1549731 CIFC294 H180 Cu27 N114 O4 SP 1 21/n 114.7327; 47.3434; 51.2702
90; 97.581; 90
35448.2Yu, Fei; Kurmoo, Mohamedally; Zhuang, Gui-Lin; Zuo, Jing-Lin
Hierarchical tandem assembly of planar [3×3] building units into {3×[3×3]} oligomers: mixed-valency, electrical conductivity and magnetism.
Chemical science, 2018, 9, 7498-7504
1549741 CIFC12 H14 Er I N2P 21 21 2110.7394; 10.7693; 12.2067
90; 90; 90
1411.8Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D.
Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes.
Chemical science, 2018, 9, 7204-7209
1549742 CIFC16 H24 Er I O2P 1 21/n 18.4793; 9.3962; 22.2154
90; 97.496; 90
1754.8Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D.
Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes.
Chemical science, 2018, 9, 7204-7209

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