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 |
| 1549641 | CIF | C35 H40 N2 O4 | P 1 21 1 | 14.151; 14.717; 16.184 90; 111.316; 90 | 3139.9 | 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 |
| 1549642 | CIF | C36 H43 N2 O6 S | P 1 21 1 | 11.571; 25.09; 11.915 90; 90; 90 | 3459.1 | 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 |
| 1549643 | CIF | C138 H132 Dy10 N32 O54 P4 | P 1 21/c 1 | 24.731; 14.057; 25.496 90; 112.797; 90 | 8171 | Tian, 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 | CIF | C134 H148 Dy10 N32 O66 P4 | P 1 21/c 1 | 24.653; 14.5645; 26.067 90; 112.969; 90 | 8617.5 | Tian, 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 | CIF | C134 H148 Dy10 N32 O66 P4 | P 1 21/c 1 | 24.6145; 14.5657; 26.0805 90; 112.968; 90 | 8609.3 | Tian, 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 | CIF | C134 H112 Dy10 N32 O50 P4 | P 1 21/c 1 | 25.525; 14.312; 25.318 90; 111.413; 90 | 8611 | Tian, 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 | CIF | C140 H132 Cl6 Dy10 N32 O52 P4 | R 3 2 :H | 26.7135; 26.7135; 71.325 90; 90; 120 | 44079 | Tian, 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 | CIF | C70 H120 Cu13 F6 N6 O8 P S12 | C 1 2/c 1 | 33.833; 18.7022; 36.604 90; 111.908; 90 | 21489 | Chakrahari, 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 | CIF | C70 H120 Cu12 N6 O8 S13 | P 21 21 21 | 18.2449; 23.218; 23.3841 90; 90; 90 | 9905.7 | Chakrahari, 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 | CIF | C85 H102 Cl0.7 Cu12.3 F30 N6 O P S12 | P n n a | 21.8103; 22.977; 22.0395 90; 90; 90 | 11044.8 | Chakrahari, 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 | CIF | C87.5 H131 Cl Cu12 F6 N6 O0.5 P S12 | P -1 | 17.6501; 19.8146; 32.8484 86.5157; 89.7691; 75.775 | 11114.5 | Chakrahari, 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 | CIF | C86 H128 Br Cu12 F6 N6 P S12 | P -1 | 17.7551; 19.6625; 32.767 85.8425; 85.698; 76.1094 | 11055.9 | Chakrahari, 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 | CIF | C132 H234 Cl5 Cu24 F6 N12 O12 P S24 | C 1 2/c 1 | 31.396; 19.8294; 33.181 90; 97.8261; 90 | 20465 | Chakrahari, 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 | CIF | C74 H128 Cu12 N6 O8 S13 | P 21 21 21 | 19.1023; 23.8001; 24.5421 90; 90; 90 | 11157.7 | Chakrahari, 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 | CIF | C52 H62 Fe N5 O4 S2 | P -1 | 10.175; 16.218; 16.588 84.402; 81.108; 76.3 | 2622.2 | Cook, 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 | CIF | C62 H87 Co N6 O4.5 S2 | P 1 21/n 1 | 17.4061; 10.7648; 31.052 90; 91.3044; 90 | 5816.8 | Cook, 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 | CIF | C50 H72 Ga N5 O6 S2 | P 1 21/c 1 | 16.1329; 27.6083; 13.2048 90; 105.613; 90 | 5664.4 | Cook, 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 | CIF | C56 H70 Co N5 O5 S2 | P -1 | 18.006; 18.271; 18.568 110.972; 109.602; 95.477 | 5209.6 | Cook, 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 | CIF | C59 H93 Fe N5 O6 S2 | P -1 | 9.4615; 18.3994; 18.765 107.605; 100.024; 93.8094 | 3041.4 | Cook, 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 | CIF | C60 H82 Fe N6 O4 S2 | P -1 | 10.6709; 17.4933; 17.8715 113.478; 98.8759; 91.3574 | 3009.9 | Cook, 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 | CIF | C22 H21 N O3 S | P -1 | 9.3819; 10.3076; 10.6318 90.7648; 114.212; 100.138 | 918.87 | Leitch, 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 | CIF | C110 H82 Cu4 N2 O24 | P -1 | 15.9653; 17.691; 18.2258 61.811; 88.11; 64.125 | 3983.8 | Craig, 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 | CIF | C152 H164 Cu4 O34 | P 1 21/n 1 | 18.5382; 25.36; 19.6509 90; 116.08; 90 | 8297.8 | Craig, 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 | CIF | C108.67 H59 N O24 Rh4 | P -1 | 17.9146; 18.0902; 27.6891 77.345; 83.125; 61.947 | 7725.35 | Craig, 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 | CIF | C10 H24 N7 Ni O9 | C 1 2/c 1 | 12.8157; 8.8179; 15.3168 90; 106.818; 90 | 1656.88 | Bhowmick, 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 | CIF | C10 H26 Co0.9 N9 Ni0.1 O15 | P -1 | 7.371; 8.496; 9.08 89.163; 76.951; 81.894 | 548.3 | Bhowmick, 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 | CIF | C10 H26 N9 Ni O15 | P -1 | 7.4549; 9.0814; 16.935 88.505; 81.132; 76.008 | 1099.1 | Bhowmick, 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 | CIF | C12 H24 Cl N6 Ni O4 S2 | P -1 | 7.59; 8.72; 15.75 83.72; 81.37; 80.39 | 1012 | Bhowmick, 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 | CIF | C72 H72 Cl9 N7 O8 | P 21 21 21 | 13.2969; 22.3943; 25.1034 90; 90; 90 | 7475.2 | Lister, 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 | CIF | C53 H53 Cl3 N8 O5 | P 1 21 1 | 9.7198; 18.6592; 14.0802 90; 90.161; 90 | 2553.6 | Lister, 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 | CIF | C72 H87.5 N8 O11.75 | P 1 21 1 | 15.5782; 18.4753; 24.4315 90; 91.976; 90 | 7027.5 | Lister, 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 | CIF | C70.79 H77.17 N7 O10.4 | P 21 21 21 | 22.0413; 23.2593; 25.4959 90; 90; 90 | 13070.9 | Lister, 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 | CIF | C70.57 H83.27 N7 O9.57 | P 21 21 21 | 10.5967; 21.5835; 28.6986 90; 90; 90 | 6563.8 | Lister, 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 | CIF | C52 H60 B F24 Fe P4 | I -4 | 13.2989; 13.2989; 17.4417 90; 90; 90 | 3084.75 | Doyle, 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 | CIF | C19 H18 N2 O | P 1 21/c 1 | 11.268; 16.335; 9.5163 90; 114.91; 90 | 1588.6 | Lv, 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 | CIF | C47 H52 Fe N5 O6 P | P -1 | 12.7848; 13.0223; 13.1304 93.792; 92.468; 90.347 | 2179.2 | Hong, 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 | CIF | C51 H94 Fe N7 O6 | P 1 21/c 1 | 18.404; 18.521; 17.725 90; 102.745; 90 | 5893 | Hong, 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 | CIF | C39 H33 F12 N7 P2 Ru | P -1 | 11.0216; 14.4762; 14.5765 83.804; 85.851; 69.748 | 2167.64 | Al-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 | CIF | C39 H29 F12 N7 P2 Ru | P -1 | 11.9502; 13.3979; 13.5014 82.904; 83.437; 79.213 | 2097.98 | Al-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 | CIF | C30 H25 F3 N4 O2 P0.5 Ru | C 1 2/m 1 | 18.547; 23.5958; 17.833 90; 119.975; 90 | 6760.4 | Al-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 | CIF | C13 H18 N2 S | P 21 21 2 | 20.7206; 9.8606; 6.3486 90; 90; 90 | 1297.13 | Formica, 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 | CIF | C24 H19 Cl4 Rh | P 1 21/c 1 | 14.3151; 6.8774; 23.4347 90; 106.959; 90 | 2206.84 | Yang, 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 | CIF | C15 H9 F7.05 | P b c m | 12.069; 30.5791; 36.076 90; 90; 90 | 13314.2 | Font, 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 | CIF | C15 H12 F2 O2 | P 1 21/c 1 | 13.442; 13.4424; 7.0546 90; 93.892; 90 | 1271.8 | Font, 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 | CIF | C29 H39 Cl5 Cu N2 O6 S2 | P 1 21/c 1 | 8.4746; 9.5148; 45.506 90; 91.765; 90 | 3667.6 | Olavarría-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 | CIF | C21 H20 O2 S2 | P 1 21/n 1 | 13.7982; 5.5253; 24.9052 90; 103.39; 90 | 1847.14 | Olavarría-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 | CIF | C98 H60 Cu9 N36 O6 S | C 1 2/c 1 | 32.7; 10.89; 30.813 90; 114.97; 90 | 9947 | Yu, 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 | CIF | C294 H180 Cu27 N114 O4 S | P 1 21/n 1 | 14.7327; 47.3434; 51.2702 90; 97.581; 90 | 35448.2 | Yu, 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 | CIF | C12 H14 Er I N2 | P 21 21 21 | 10.7394; 10.7693; 12.2067 90; 90; 90 | 1411.8 | Hilgar, 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 | CIF | C16 H24 Er I O2 | P 1 21/n 1 | 8.4793; 9.3962; 22.2154 90; 97.496; 90 | 1754.8 | Hilgar, 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 |
| 1549743 | CIF | C18 H18 Er I N2 | P 1 21/n 1 | 10.818; 8.8916; 18.3519 90; 96.53; 90 | 1753.8 | Hilgar, 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 |
| 1549744 | CIF | C27 H38 B Er N6 O | P 1 21/c 1 | 8.2903; 31.84; 10.584 90; 102.02; 90 | 2732.5 | Hilgar, 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 |
| 1549745 | CIF | C16 H21 F3 N2 O2 | P 1 21/c 1 | 13.0203; 10.3915; 12.893 90; 103.151; 90 | 1698.68 | Png, Zhuang Mao; Cabrera-Pardo, Jaime R; Peiró Cadahía, Jorge; Gaunt, Matthew J. Diastereoselective C-H carbonylative annulation of aliphatic amines: a rapid route to functionalized γ-lactams. Chemical science, 2018, 9, 7628-7633 |
| 1549746 | CIF | C36.25 H64.5 Cl4.5 F4 N2 O8 Pd3 | P -1 | 11.8915; 14.4371; 15.9414 84.9399; 77.9747; 68.7283 | 2494.14 | Png, Zhuang Mao; Cabrera-Pardo, Jaime R; Peiró Cadahía, Jorge; Gaunt, Matthew J. Diastereoselective C-H carbonylative annulation of aliphatic amines: a rapid route to functionalized γ-lactams. Chemical science, 2018, 9, 7628-7633 |
| 1549747 | CIF | C38 H35 Cl3 F20 N P Pd | P -1 | 13.2478; 19.4015; 20.3563 115.227; 91.1995; 105.389 | 4509.24 | Png, Zhuang Mao; Cabrera-Pardo, Jaime R; Peiró Cadahía, Jorge; Gaunt, Matthew J. Diastereoselective C-H carbonylative annulation of aliphatic amines: a rapid route to functionalized γ-lactams. Chemical science, 2018, 9, 7628-7633 |
| 1549751 | CIF | C28 Al2 Cl6 F56 Li2 N2 O6 | C 1 2/c 1 | 30.4136; 11.7318; 20.6258 90; 129.575; 90 | 5672.6 | Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>). Chemical science, 2018, 9, 7058-7068 |
| 1549752 | CIF | C24 Al2 F55 N O7 | P 1 21/n 1 | 10.6841; 18.2966; 22.3798 90; 94.822; 90 | 4359.38 | Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>). Chemical science, 2018, 9, 7058-7068 |
| 1549753 | CIF | C36 H8 Ag Al2 F59 O6 | C 1 c 1 | 13.1028; 29.39; 14.129 90; 99.674; 90 | 5363.6 | Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>). Chemical science, 2018, 9, 7058-7068 |
| 1549754 | CIF | C42 H12 Ag Al2 F61 O6 | P -1 | 15.4856; 17.6866; 22.5679 76.093; 84.023; 81.617 | 5920.4 | Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>). Chemical science, 2018, 9, 7058-7068 |
| 1549755 | CIF | C15 H6 Al F27 O6 | P 1 21/c 1 | 10.8066; 13.958; 17.2977 90; 90.19; 90 | 2609.15 | Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>). Chemical science, 2018, 9, 7058-7068 |
| 1549756 | CIF | C28 H8 Ag Al F40 O4 | P 1 21/n 1 | 14.1565; 18.4564; 14.651 90; 91.2; 90 | 3827.1 | Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>). Chemical science, 2018, 9, 7058-7068 |
| 1549757 | CIF | C30 H12 Ag Al F34 O3 | P 1 21/n 1 | 10.2659; 17.4605; 20.9905 90; 99.098; 90 | 3715.17 | Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>). Chemical science, 2018, 9, 7058-7068 |
| 1549758 | CIF | C50 H58 Ag Al2 Br2 Cl4 F55 O6 Si2 | P -1 | 15.476; 16.615; 18.2967 89.488; 67.742; 70.537 | 4068.1 | Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>). Chemical science, 2018, 9, 7058-7068 |
| 1549759 | CIF | C21 H18 Al F28 Li O12 | P 1 21/c 1 | 35.9221; 10.7468; 19.3985 90; 102.381; 90 | 7314.6 | Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>). Chemical science, 2018, 9, 7058-7068 |
| 1549760 | CIF | C20 H10 Ag B F22 O2 | P 1 21/c 1 | 34.3712; 10.6465; 13.7845 90; 100.452; 90 | 4960.5 | Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>). Chemical science, 2018, 9, 7058-7068 |
| 1549761 | CIF | C48.25 H44.5 Cl0.5 N2 O9 | P -1 | 14.0049; 23.6564; 26.0431 71.035; 82.975; 82.271 | 8057.2 | Homberg, Alexandre; Brun, Elodie; Zinna, Francesco; Pascal, Simon; Górecki, Marcin; Monnier, Luc; Besnard, Céline; Pescitelli, Gennaro; Di Bari, Lorenzo; Lacour, Jérôme Combined reversible switching of ECD and quenching of CPL with chiral fluorescent macrocycles. Chemical science, 2018, 9, 7043-7052 |
| 1549762 | CIF | C48 H42 N2 O6 | P -1 | 11.8363; 12.6884; 14.8869 108.968; 104.837; 104.872 | 1897.35 | Homberg, Alexandre; Brun, Elodie; Zinna, Francesco; Pascal, Simon; Górecki, Marcin; Monnier, Luc; Besnard, Céline; Pescitelli, Gennaro; Di Bari, Lorenzo; Lacour, Jérôme Combined reversible switching of ECD and quenching of CPL with chiral fluorescent macrocycles. Chemical science, 2018, 9, 7043-7052 |
| 1549765 | CIF | C10 H10 Br2 Co N2 | P 1 21/c 1 | 8.6842; 18.1757; 8.5209 90; 100.878; 90 | 1320.8 | Majcher, Anna M.; Dąbczyński, Paweł; Marzec, Mateusz M.; Ceglarska, Magdalena; Rysz, Jakub; Bernasik, Andrzej; Ohkoshi, Shin-Ichi; Stefańczyk, Olaf Between single ion magnets and macromolecules: a polymer/transition metal-based semi-solid solution. Chemical science, 2018, 9, 7277-7286 |
| 1549766 | CIF | C14 H14 Br2 Co N2 | C 1 2/c 1 | 9.1275; 12.1835; 14.8264 90; 95.764; 90 | 1640.4 | Majcher, Anna M.; Dąbczyński, Paweł; Marzec, Mateusz M.; Ceglarska, Magdalena; Rysz, Jakub; Bernasik, Andrzej; Ohkoshi, Shin-Ichi; Stefańczyk, Olaf Between single ion magnets and macromolecules: a polymer/transition metal-based semi-solid solution. Chemical science, 2018, 9, 7277-7286 |
| 1549767 | CIF | C20 H32 P Si2 Tb | P n m a | 12.8319; 18.8787; 9.3269 90; 90; 90 | 2259.4 | Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song A soft phosphorus atom to "harden" an erbium(iii) single-ion magnet. Chemical science, 2018, 9, 7540-7545 |
| 1549768 | CIF | C20 H32 Er P Si2 | P 1 21/c 1 | 15.1266; 10.815; 14.256 90; 95.164; 90 | 2322.73 | Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song A soft phosphorus atom to "harden" an erbium(iii) single-ion magnet. Chemical science, 2018, 9, 7540-7545 |
| 1549769 | CIF | C20 H32 Dy P Si2 | P n m a | 12.8248; 18.9114; 9.3047 90; 90; 90 | 2256.7 | Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song A soft phosphorus atom to "harden" an erbium(iii) single-ion magnet. Chemical science, 2018, 9, 7540-7545 |
| 1549770 | CIF | C20 H32 P Si2 Tm | P 1 21/c 1 | 15.0719; 10.8053; 14.3183 90; 95.125; 90 | 2322.5 | Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song A soft phosphorus atom to "harden" an erbium(iii) single-ion magnet. Chemical science, 2018, 9, 7540-7545 |
| 1549771 | CIF | C20 H32 P Si2 Y | P 1 21/c 1 | 15.2388; 10.8568; 14.217 90; 95.18; 90 | 2342.5 | Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song A soft phosphorus atom to "harden" an erbium(iii) single-ion magnet. Chemical science, 2018, 9, 7540-7545 |
| 1549775 | CIF | C25 H15 N S2 | P b c a | 18.7793; 7.4521; 50.3987 90; 90; 90 | 7053.06 | Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds. Chemical science, 2018, 9, 7556-7561 |
| 1549776 | CIF | C29 H19 N | P 1 21/n 1 | 10.6434; 9.1028; 20.109 90; 102.565; 90 | 1901.6 | Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds. Chemical science, 2018, 9, 7556-7561 |
| 1549777 | CIF | C41 H27 N O S4 | P 1 21/c 1 | 16.1846; 27.2713; 7.6092 90; 97.89; 90 | 3326.7 | Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds. Chemical science, 2018, 9, 7556-7561 |
| 1549782 | CIF | C23 H19 B N2 | P -1 | 9.5765; 10.1909; 10.8774 115.915; 106.476; 90.377 | 905.1 | Yang, Kai; Zhang, Guan; Song, Qiuling Four-coordinate triarylborane synthesis <i>via</i> cascade B-Cl/C-B cross-metathesis and C-H bond borylation. Chemical science, 2018, 9, 7666-7672 |
| 1549783 | CIF | C17 H14 B F N2 | P 1 21/n 1 | 9.1839; 11.282; 14.148 90; 101.51; 90 | 1436.4 | Yang, Kai; Zhang, Guan; Song, Qiuling Four-coordinate triarylborane synthesis <i>via</i> cascade B-Cl/C-B cross-metathesis and C-H bond borylation. Chemical science, 2018, 9, 7666-7672 |
| 1549784 | CIF | C59.5 H22 Cl7 F20 N5 S3 | P -1 | 13.89; 14.796; 16.218 96.6694; 96.2744; 112.822 | 3007.7 | Higashino, Tomohiro; Kumagai, Atsushi; Sakaki, Shigeyoshi; Imahori, Hiroshi Reversible π-system switching of thiophene-fused thiahexaphyrins by solvent and oxidation/reduction. Chemical science, 2018, 9, 7528-7539 |
| 1549785 | CIF | C65 H20.5 Cl1.5 F20 N5 S3 | P -1 | 13.765; 17.271; 24.19 94.738; 102.606; 93.061 | 5577.9 | Higashino, Tomohiro; Kumagai, Atsushi; Sakaki, Shigeyoshi; Imahori, Hiroshi Reversible π-system switching of thiophene-fused thiahexaphyrins by solvent and oxidation/reduction. Chemical science, 2018, 9, 7528-7539 |
| 1549786 | CIF | C32 H33 N5 O5 U | P -1 | 10.3182; 12.47104; 12.8143 82.2874; 68.197; 79.3609 | 1500.76 | Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella The effect of iron binding on uranyl(v) stability. Chemical science, 2018, 9, 7520-7527 |
| 1549787 | CIF | C64 H64 Fe N10 O10 U2 | C 1 2/c 1 | 46.746; 13.2744; 24.296 90; 145.84; 90 | 8465 | Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella The effect of iron binding on uranyl(v) stability. Chemical science, 2018, 9, 7520-7527 |
| 1549788 | CIF | C69 H69 I2 N11 O6 U2 | P 1 21/n 1 | 14.3842; 14.1543; 16.8027 90; 93.045; 90 | 3416.2 | Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella The effect of iron binding on uranyl(v) stability. Chemical science, 2018, 9, 7520-7527 |
| 1549789 | CIF | C63 H99 K2 N8 O17 U | P -1 | 12.542; 13.779; 23.86 81.55; 78.59; 86.58 | 3996 | Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella The effect of iron binding on uranyl(v) stability. Chemical science, 2018, 9, 7520-7527 |
| 1549790 | CIF | C99 H99 Fe3 I2 N17 O10 U2 | P -1 | 13.7743; 21.1783; 24.452 99.7615; 95.7326; 98.8026 | 6888.7 | Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella The effect of iron binding on uranyl(v) stability. Chemical science, 2018, 9, 7520-7527 |
| 1549791 | CIF | C50 H54 Fe N8 O5 U | P 1 21/c 1 | 19.5691; 13.9341; 19.6431 90; 118.26; 90 | 4717.8 | Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella The effect of iron binding on uranyl(v) stability. Chemical science, 2018, 9, 7520-7527 |
| 1549792 | CIF | C69 H69 Fe I N11 O8 U2 | P 1 21/n 1 | 15.964; 23.884; 20.0642 90; 105.849; 90 | 7359.3 | Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella The effect of iron binding on uranyl(v) stability. Chemical science, 2018, 9, 7520-7527 |
| 1549796 | CIF | C58 H84 Mn2 N4 | P 1 21/n 1 | 14.1097; 14.319; 14.2262 90; 111.886; 90 | 2667.1 | Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J. A β-diketiminate manganese catalyst for alkene hydrosilylation: substrate scope, silicone preparation, and mechanistic insight. Chemical science, 2018, 9, 7673-7680 |
| 1549797 | CIF | C41 H58 Mn N2 | P 1 21/c 1 | 12.443; 13.455; 22.132 90; 102.382; 90 | 3619 | Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J. A β-diketiminate manganese catalyst for alkene hydrosilylation: substrate scope, silicone preparation, and mechanistic insight. Chemical science, 2018, 9, 7673-7680 |
| 1549798 | CIF | C40 H33 F6 Fe N5 O6 S2 | C 1 2/c 1 | 42.348; 11.696; 18.645 90; 92.882; 90 | 9223 | Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo. Chemical science, 2018, 9, 7843-7858 |
| 1549799 | CIF | C64 H53 Cl6 Fe3 N11 | P b c a | 18.9606; 18.7387; 34.1557 90; 90; 90 | 12135.4 | Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo. Chemical science, 2018, 9, 7843-7858 |
| 1549800 | CIF | C33 H27 Br Cl7 Fe N5 O4 | P -1 | 9.9553; 13.1814; 16.2767 92.662; 96.422; 105.743 | 2036.29 | Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo. Chemical science, 2018, 9, 7843-7858 |
| 1549801 | CIF | C33 H27 Cl8 Fe N5 O4 | P -1 | 9.68503; 9.74597; 20.3011 92.2266; 101.563; 98.3455 | 1852.88 | Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo. Chemical science, 2018, 9, 7843-7858 |
| 1549802 | CIF | C64 H53 Br6 Fe3 N11 | P b c a | 19.0269; 18.8487; 35.2474 90; 90; 90 | 12640.9 | Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo. Chemical science, 2018, 9, 7843-7858 |
| 1549805 | CIF | C32 H40 F2 Sn | P 1 21/c 1 | 17.1715; 17.8894; 9.4518 90; 101.309; 90 | 2847.1 | Ming, Jialin; Shi, Qi; Hayashi, Tamio Addition of arylstannanes to alkynes giving <i>ortho</i>-alkenylarylstannanes catalysed cooperatively by a rhodium complex and zinc chloride. Chemical science, 2018, 9, 7700-7704 |
| 1549806 | CIF | C90 H68 B2 F30 Fe2 O2 | P 1 21/c 1 | 14.0463; 17.6303; 16.8395 90; 100.648; 90 | 4098.34 | Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals. Chemical science, 2018, 9, 8011-8018 |
| 1549807 | CIF | C51 H22 B2 F30 N O3 | P -1 | 13.8373; 14.8923; 15.4147 63.462; 80.689; 88.721 | 2799.88 | Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals. Chemical science, 2018, 9, 8011-8018 |
| 1549808 | CIF | C69 H25 B2 Cl4 F30 O2 | P -1 | 13.3556; 14.9486; 17.5414 95.477; 111.222; 102.632 | 3126.3 | Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals. Chemical science, 2018, 9, 8011-8018 |
| 1549809 | CIF | C72 H29 B2 Cl6 F30 O2 | P -1 | 12.3256; 16.7558; 17.1303 90.82; 97.535; 103.218 | 3410.8 | Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals. Chemical science, 2018, 9, 8011-8018 |
| 1549810 | CIF | C71 H40 B2 Cl2 F30 Fe O2 | P 1 21 1 | 12.6071; 13.6253; 20.3659 90; 100.362; 90 | 3441.31 | Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals. Chemical science, 2018, 9, 8011-8018 |
| 1549811 | CIF | C72 H42 B2 Cl4 F30 Fe O2 | P -1 | 11.863; 13.004; 13.207 106.631; 116.366; 92.518 | 1714 | Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals. Chemical science, 2018, 9, 8011-8018 |
| 1549812 | CIF | C68 H36 B2 F30 Fe O2 | P -1 | 13.3457; 14.575; 17.8933 91.771; 97.044; 102.641 | 3364.49 | Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals. Chemical science, 2018, 9, 8011-8018 |
| 1549813 | CIF | C90 H68 B2 F30 Fe2 O2 | P 1 21/n 1 | 26.8002; 12.9058; 27.8292 90; 116.473; 90 | 8616.2 | Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals. Chemical science, 2018, 9, 8011-8018 |
| 1549814 | CIF | C51 H22 B2 F30 N O3 | P -1 | 11.8064; 14.9813; 15.3306 91.992; 103.172; 108.496 | 2487 | Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals. Chemical science, 2018, 9, 8011-8018 |
| 1549815 | CIF | C61 H19 B2 F30 O2 | P -1 | 13.791; 14.0959; 18.1102 109.569; 109.658; 90.652 | 3093.2 | Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals. Chemical science, 2018, 9, 8011-8018 |
| 1549816 | CIF | C62 H34 B2 F30 Fe O2 | P -1 | 9.5809; 10.9166; 14.2783 74.722; 79.532; 85.172 | 1415.59 | Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals. Chemical science, 2018, 9, 8011-8018 |
| 1549817 | CIF | C10 H8 N4 O | P 1 21/c 1 | 3.7576; 14.428; 9.4611 90; 100.599; 90 | 504.18 | Chen, Ming; Hu, Xianglong; Liu, Junkai; Li, Baixue; Leung, Nelson L. C.; Viglianti, Lucia; Cheung, Tsz Shing; Sung, Herman H. Y.; Kwok, Ryan T. K.; Williams, Ian D.; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong Rational design of red AIEgens with a new core structure from non-emissive heteroaromatics. Chemical science, 2018, 9, 7829-7834 |
| 1549818 | CIF | C34 H22 N4 | P -1 | 5.772; 9.9613; 10.8529 87.644; 77.477; 89.901 | 608.63 | Chen, Ming; Hu, Xianglong; Liu, Junkai; Li, Baixue; Leung, Nelson L. C.; Viglianti, Lucia; Cheung, Tsz Shing; Sung, Herman H. Y.; Kwok, Ryan T. K.; Williams, Ian D.; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong Rational design of red AIEgens with a new core structure from non-emissive heteroaromatics. Chemical science, 2018, 9, 7829-7834 |
| 1549820 | CIF | C7 H8 Cu I N2 O2 | P -1 | 4.2503; 10.1169; 11.3784 81.03; 88.843; 82.58 | 479.24 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549821 | CIF | C7 H8 Cu I N2 O2 | P -1 | 4.0958; 9.372; 10.9859 85.224; 88.977; 84.909 | 418.56 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549822 | CIF | C7 H8 Cu I N2 O2 | P -1 | 3.9623; 8.824; 10.6104 87.89; 88.524; 87.3 | 370.2 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549823 | CIF | C7 H8 Cu I N2 O2 | P -1 | 4.0071; 9.009; 10.7254 87.042; 88.693; 86.485 | 385.87 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549824 | CIF | C7 H8 Cu I N2 O2 | P -1 | 4.1474; 9.5705; 11.1208 84.163; 88.992; 84.152 | 436.83 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549825 | CIF | C7 H8 Cu I N2 O2 | P -1 | 4.0175; 9.064; 10.7655 86.743; 88.765; 86.231 | 390.48 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549826 | CIF | C7 H8 Cu I N2 O2 | P -1 | 4.0406; 9.151; 10.8365 86.375; 88.849; 85.829 | 398.78 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549827 | CIF | C7 H8 Cu I N2 O2 | P -1 | 3.9759; 8.862; 10.6257 87.71; 88.616; 87.1 | 373.52 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549828 | CIF | C7 H8 Cu I N2 O2 | P -1 | 4.1864; 9.741; 11.2181 83.217; 88.956; 83.522 | 451.36 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549829 | CIF | C7 H8 Cu I N2 O2 | P -1 | 3.989; 8.933; 10.667 87.474; 88.623; 86.839 | 379.07 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549830 | CIF | C7 H8 Cu I N2 O2 | P -1 | 4.068; 9.26; 10.911 85.828; 88.899; 85.395 | 408.56 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549831 | CIF | C7 H8 Cu I N2 O2 | P -1 | 3.997; 8.9646; 10.6952 87.267; 88.673; 86.652 | 382.06 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549832 | CIF | C7 H8 Cu I N2 O2 | P -1 | 4.0313; 9.11; 10.8051 86.619; 88.825; 86.015 | 395.12 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549842 | CIF | C69 H59 Br2 Co N9 O9 S2 | P 1 | 8.8042; 13.872; 15.012 113.273; 91.702; 108.265 | 1574.4 | Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation. Chemical science, 2018, 9, 7986-7991 |
| 1549843 | CIF | C69 H59 Br2 Co N9 O9 S2 | P 1 | 8.933; 14.009; 15.07 113.024; 91.175; 108.218 | 1627 | Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation. Chemical science, 2018, 9, 7986-7991 |
| 1549844 | CIF | C69 H55 Br2 Co N9 O7 S2 | P 1 | 8.7198; 13.8688; 15.15 112.076; 90.143; 106.456 | 1615.99 | Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation. Chemical science, 2018, 9, 7986-7991 |
| 1549845 | CIF | C69 H55 Br2 Co N9 O7 S2 | P 1 | 8.6715; 13.689; 15.1994 112.725; 90.764; 106.662 | 1578.49 | Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation. Chemical science, 2018, 9, 7986-7991 |
| 1549846 | CIF | C69 H59 Br2 Co N9 O9 S2 | P 1 | 8.8606; 13.9125; 14.9455 65.422; 87.897; 71.56 | 1579.8 | Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation. Chemical science, 2018, 9, 7986-7991 |
| 1549847 | CIF | C69 H55 Br2 Co N9 O7 S2 | P 1 | 8.6306; 13.5529; 15.2106 113.16; 91.252; 106.863 | 1546.66 | Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation. Chemical science, 2018, 9, 7986-7991 |
| 1549848 | CIF | C23 H22 Br N O4 | P 21 21 21 | 8.3737; 10.0127; 24.658 90; 90; 90 | 2067.41 | Liu, Yang; Liu, Xiangyuan; Li, Jiangtao; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong Catalytic enantioselective radical coupling of activated ketones with <i>N</i>-aryl glycines. Chemical science, 2018, 9, 8094-8098 |
| 1549849 | CIF | C26 H32 N2 O8 S | P 1 | 6.25857; 10.36; 11.9013 64.561; 87.812; 84.16 | 693.22 | Liu, Yang; Liu, Xiangyuan; Li, Jiangtao; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong Catalytic enantioselective radical coupling of activated ketones with <i>N</i>-aryl glycines. Chemical science, 2018, 9, 8094-8098 |
| 1549850 | CIF | C144 Dy12 O64 | F m -3 m | 24.8328; 24.8328; 24.8328 90; 90; 90 | 15313.6 | Liu, Chong; Eliseeva, Svetlana V.; Luo, Tian-Yi; Muldoon, Patrick F.; Petoud, Stéphane; Rosi, Nathaniel L. Near infrared excitation and emission in rare earth MOFs <i>via</i> encapsulation of organic dyes. Chemical science, 2018, 9, 8099-8102 |
| 1549851 | CIF | C42 H24 Dy3 N6 O16 | F m -3 m | 29.9107; 29.9107; 29.9107 90; 90; 90 | 26759.6 | Liu, Chong; Eliseeva, Svetlana V.; Luo, Tian-Yi; Muldoon, Patrick F.; Petoud, Stéphane; Rosi, Nathaniel L. Near infrared excitation and emission in rare earth MOFs <i>via</i> encapsulation of organic dyes. Chemical science, 2018, 9, 8099-8102 |
| 1549852 | CIF | C42 H24 Dy3 O20 | F m -3 m | 27.5659; 27.5659; 27.5659 90; 90; 90 | 20946.7 | Liu, Chong; Eliseeva, Svetlana V.; Luo, Tian-Yi; Muldoon, Patrick F.; Petoud, Stéphane; Rosi, Nathaniel L. Near infrared excitation and emission in rare earth MOFs <i>via</i> encapsulation of organic dyes. Chemical science, 2018, 9, 8099-8102 |
| 1549853 | CIF | C19 H15 Br N2 O3 | P 1 21/c 1 | 10.499; 20.581; 8.367 90; 108.054; 90 | 1718.9 | Lovato, Kaitlyn; Guo, Lirong; Xu, Qing-Long; Liu, Fengting; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László; Gao, Hongyin Transition metal-free direct dehydrogenative arylation of activated C(sp<sup>3</sup>)-H bonds: synthetic ambit and DFT reactivity predictions. Chemical science, 2018, 9, 7992-7999 |
| 1549854 | CIF | C18 H13 F3 N2 O4 | P 1 21/c 1 | 18.29; 10.7507; 9.233 90; 98.659; 90 | 1794.8 | Lovato, Kaitlyn; Guo, Lirong; Xu, Qing-Long; Liu, Fengting; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László; Gao, Hongyin Transition metal-free direct dehydrogenative arylation of activated C(sp<sup>3</sup>)-H bonds: synthetic ambit and DFT reactivity predictions. Chemical science, 2018, 9, 7992-7999 |
| 1549859 | CIF | C21 H15 N3 O3 | P 1 21/c 1 | 10.2072; 22.8173; 7.0823 90; 90.009; 90 | 1649.47 | Das, Deb Kumar; Kumar Pampana, V. Kishore; Hwang, Kuo Chu Copper catalyzed photoredox synthesis of α-keto esters, quinoxaline, and naphthoquinone: controlled oxidation of terminal alkynes to glyoxals. Chemical science, 2018, 9, 7318-7326 |
| 1549860 | CIF | C9 H7 N O5 | P -1 | 7.2306; 7.3257; 8.8664 106.573; 100.859; 94.501 | 437.69 | Das, Deb Kumar; Kumar Pampana, V. Kishore; Hwang, Kuo Chu Copper catalyzed photoredox synthesis of α-keto esters, quinoxaline, and naphthoquinone: controlled oxidation of terminal alkynes to glyoxals. Chemical science, 2018, 9, 7318-7326 |
| 1549861 | CIF | C12 H12 Cu N2 O6 | P -1 | 5.0866; 7.5068; 9.0684 76.038; 85.125; 72.229 | 319.98 | Das, Deb Kumar; Kumar Pampana, V. Kishore; Hwang, Kuo Chu Copper catalyzed photoredox synthesis of α-keto esters, quinoxaline, and naphthoquinone: controlled oxidation of terminal alkynes to glyoxals. Chemical science, 2018, 9, 7318-7326 |
| 1549862 | CIF | C800.5 H916 Cl20.5 Cu8 N43 O114 | P -1 | 30.0973; 30.8663; 31.9583 91.509; 102.049; 94.109 | 28934 | Le Poul, Nicolas; Colasson, Benoit; Thiabaud, Grégory; Dit Fouque, Dany Jeanne; Iacobucci, Claudio; Memboeuf, Antony; Douziech, Bénédicte; Řezáč, Jan; Prangé, Thierry; de la Lande, Aurélien; Reinaud, Olivia; Le Mest, Yves Gating the electron transfer at a monocopper centre through the supramolecular coordination of water molecules within a protein chamber mimic. Chemical science, 2018, 9, 8282-8290 |
| 1549863 | CIF | C42 H28 Br2 | P -1 | 9.928; 11.964; 13.33 91.365; 90.705; 93.476 | 1579.8 | Kasun, Zachary A.; Sato, Hiroki; Nie, Jing; Mori, Yasuyuki; Bender, Jon A.; Roberts, Sean T.; Krische, Michael J. Alternating oligo(<i>o</i>,<i>p</i>-phenylenes) <i>via</i> ruthenium catalyzed diol-diene benzannulation: orthogonality to cross-coupling enables <i>de novo</i> nanographene and PAH construction. Chemical science, 2018, 9, 7866-7873 |
| 1549864 | CIF | C60 H38 | P -1 | 9.859; 13.666; 14.502 91.78; 96.21; 110.33 | 1816.5 | Kasun, Zachary A.; Sato, Hiroki; Nie, Jing; Mori, Yasuyuki; Bender, Jon A.; Roberts, Sean T.; Krische, Michael J. Alternating oligo(<i>o</i>,<i>p</i>-phenylenes) <i>via</i> ruthenium catalyzed diol-diene benzannulation: orthogonality to cross-coupling enables <i>de novo</i> nanographene and PAH construction. Chemical science, 2018, 9, 7866-7873 |
| 1549865 | CIF | C34.33333 H18.66667 Cl0.66667 S2 | P 1 21/n 1 | 9.2129; 21.272; 36.423 90; 91.73; 90 | 7135 | Kasun, Zachary A.; Sato, Hiroki; Nie, Jing; Mori, Yasuyuki; Bender, Jon A.; Roberts, Sean T.; Krische, Michael J. Alternating oligo(<i>o</i>,<i>p</i>-phenylenes) <i>via</i> ruthenium catalyzed diol-diene benzannulation: orthogonality to cross-coupling enables <i>de novo</i> nanographene and PAH construction. Chemical science, 2018, 9, 7866-7873 |
| 1549877 | CIF | C44 H37 Cl4 N6 O1.5 | R -3 c :H | 16.521; 16.521; 49.1998 90; 90; 120 | 11629.6 | Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko Rational synthesis of benzimidazole[3]arenes by Cu<sup>II</sup>-catalyzed post-macrocyclization transformation. Chemical science, 2018, 9, 7614-7619 |
| 1549878 | CIF | C44 H32 Cl6 N6 | C 1 c 1 | 5.7565; 25.735; 26.34 90; 91.02; 90 | 3901.5 | Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko Rational synthesis of benzimidazole[3]arenes by Cu<sup>II</sup>-catalyzed post-macrocyclization transformation. Chemical science, 2018, 9, 7614-7619 |
| 1549879 | CIF | C63 H60 N6 O12 S3 | P -1 | 9.9758; 14.1235; 21.6617 98.632; 94.107; 107.17 | 2861.15 | Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko Rational synthesis of benzimidazole[3]arenes by Cu<sup>II</sup>-catalyzed post-macrocyclization transformation. Chemical science, 2018, 9, 7614-7619 |
| 1549882 | CIF | C19 H18 N2 O2 | P 1 21/c 1 | 11.2477; 15.3784; 9.6298 90; 114.204; 90 | 1519.25 | Matsuura, Rei; Jankins, Tanner C.; Hill, David E.; Yang, Kin S.; Gallego, Gary M.; Yang, Shouliang; He, Mingying; Wang, Fen; Marsters, Rohan P.; McAlpine, Indrawan; Engle, Keary M. Palladium(ii)-catalyzed γ-selective hydroarylation of alkenyl carbonyl compounds with arylboronic acids. Chemical science, 2018, 9, 8363-8368 |
| 1549883 | CIF | C12 H18 N3 Na O7 | P 1 21/n 1 | 6.5197; 35.222; 7.231 90; 102.838; 90 | 1619 | Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J. Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers. Chemical science, 2018, 9, 8150-8159 |
| 1549884 | CIF | C65 H63 N11 O13 | I 1 2/a 1 | 35.5103; 9.6091; 37.3391 90; 103.589; 90 | 12384.3 | Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J. Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers. Chemical science, 2018, 9, 8150-8159 |
| 1549885 | CIF | C12 H16 N3 Na O6 | P -1 | 6.1765; 7.0883; 17.5927 88.175; 83.629; 69.716 | 717.98 | Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J. Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers. Chemical science, 2018, 9, 8150-8159 |
| 1549886 | CIF | C60 H30 N9 O9 | P -1 | 9.6864; 29.786; 34.468 71.898; 88.532; 89.954 | 9449.1 | Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J. Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers. Chemical science, 2018, 9, 8150-8159 |
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