Crystallography Open Database
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Searching journal of publication like 'Journal of the American Chemical Society' volume of publication is 139
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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4125331 | CIF | C34 H41 N4 O3 | P -1 | 8.3954; 12.6294; 29.103 96.201; 94.663; 90.016 | 3057.4 | Goulet-Hanssens, Alexis; Utecht, Manuel; Mutruc, Dragos; Titov, Evgenii; Schwarz, Jutta; Grubert, Lutz; Bléger, David; Saalfrank, Peter; Hecht, Stefan Electrocatalytic Z →E Isomerization of Azobenzenes. Journal of the American Chemical Society, 2017, 139, 335-341 |
4125332 | CIF | C21 H14 F5 N O3 S | P 1 21 1 | 5.9674; 26.9049; 12.112 90; 90.059; 90 | 1944.61 | Jiang, Xingyu; Beiger, Jason J.; Hartwig, John F. Stereodivergent Allylic Substitutions with Aryl Acetic Acid Esters by Synergistic Iridium and Lewis Base Catalysis. Journal of the American Chemical Society, 2017, 139, 87-90 |
4125333 | CIF | C55 H67 Co N3 | P 1 21/m 1 | 12.2364; 16.4272; 24.439 90; 94.911; 90 | 4894.4 | Yao, Xiao-Nan; Du, Jing-Zhen; Zhang, Yi-Quan; Leng, Xue-Bing; Yang, Mu-Wen; Jiang, Shang-Da; Wang, Zhen-Xing; Ouyang, Zhong-Wen; Deng, Liang; Wang, Bing-Wu; Gao, Song Two-Coordinate Co(II) Imido Complexes as Outstanding Single-Molecule Magnets. Journal of the American Chemical Society, 2017, 139, 373-380 |
4125334 | CIF | C51 H63 Co N3 | P 1 21/m 1 | 11.283; 15.718; 12.919 90; 101.482; 90 | 2245.3 | Yao, Xiao-Nan; Du, Jing-Zhen; Zhang, Yi-Quan; Leng, Xue-Bing; Yang, Mu-Wen; Jiang, Shang-Da; Wang, Zhen-Xing; Ouyang, Zhong-Wen; Deng, Liang; Wang, Bing-Wu; Gao, Song Two-Coordinate Co(II) Imido Complexes as Outstanding Single-Molecule Magnets. Journal of the American Chemical Society, 2017, 139, 373-380 |
4125335 | CIF | C41 H66 Co N2 Si2 | P -1 | 10.0663; 10.6374; 19.5657 85.977; 85.038; 73.507 | 1999.1 | Yao, Xiao-Nan; Du, Jing-Zhen; Zhang, Yi-Quan; Leng, Xue-Bing; Yang, Mu-Wen; Jiang, Shang-Da; Wang, Zhen-Xing; Ouyang, Zhong-Wen; Deng, Liang; Wang, Bing-Wu; Gao, Song Two-Coordinate Co(II) Imido Complexes as Outstanding Single-Molecule Magnets. Journal of the American Chemical Society, 2017, 139, 373-380 |
4125336 | CIF | C29 H51 N5 O7 | P 1 21 1 | 11.5458; 16.5702; 16.8885 90; 92.912; 90 | 3226.9 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125337 | CIF | C25 H43 N5 O7 | P 21 21 21 | 11.7505; 15.361; 16.1615 90; 90; 90 | 2917.1 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125338 | CIF | C26 H45 N5 O7 | P 1 | 11.9119; 15.619; 16.4598 86.532; 89.527; 88.976 | 3056.2 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125339 | CIF | C28 H50 N6 O6 | P 21 21 21 | 12.4001; 15.333; 16.44 90; 90; 90 | 3125.7 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125340 | CIF | C27 H50 N6 O6 | P 21 21 21 | 9.6322; 10.7847; 30.96 90; 90; 90 | 3216.1 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125341 | CIF | C36 H50 N6 O6 | P 1 21 1 | 18.9459; 10.2874; 20.3541 90; 114.654; 90 | 3605.5 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125342 | CIF | C34 H53 N5 O7.5 | P 21 21 21 | 16.3898; 18.3004; 24.0255 90; 90; 90 | 7206.2 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125343 | CIF | C27 H47 N5 O7 | P 1 21 1 | 11.7452; 16.8106; 15.9153 90; 91.065; 90 | 3141.8 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125344 | CIF | C26 H46 N6 O6 | P 21 21 21 | 9.4965; 10.4398; 31.132 90; 90; 90 | 3086.5 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125345 | CIF | C24 H43 N5 O7 | P 21 21 21 | 16.145; 16.2685; 21.7425 90; 90; 90 | 5710.8 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125346 | CIF | C25 H45 N5 O7 | P 21 21 21 | 9.6442; 10.6337; 28.723 90; 90; 90 | 2945.6 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125347 | CIF | C30 H46 N6 O6 | P 21 21 21 | 9.5116; 10.8943; 30.9331 90; 90; 90 | 3205.4 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125348 | CIF | C26 H47 N5 O7 | P 1 21 1 | 5.909; 24.4001; 10.6197 90; 102.609; 90 | 1494.22 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125349 | CIF | C29 H45 N5 O7 | P 21 21 21 | 9.7528; 10.8277; 29.439 90; 90; 90 | 3108.8 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125350 | CIF | C26 H45 N5 O7 | P 1 21 1 | 9.9289; 14.2705; 11.0675 90; 98.876; 90 | 1549.38 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125351 | CIF | C32 H49 N5 O7 | P 1 | 5.8475; 11.4463; 26.2716 83.314; 84.006; 78.952 | 1708 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125352 | CIF | C26 H47 N5 O7 | P 21 21 21 | 9.5263; 10.9728; 28.9779 90; 90; 90 | 3029.07 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125353 | CIF | C30 H46 N6 O6 | P 1 21 1 | 11.0991; 9.255; 16.0095 90; 100.869; 90 | 1615.03 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125354 | CIF | C27 H46 N4 O7 | P 1 21 1 | 12.0174; 9.4647; 13.6217 90; 106.691; 90 | 1484.07 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125355 | CIF | C28 H46 N6 O6 S | P 1 | 10.2959; 10.4853; 14.9355 94.868; 100.913; 90.106 | 1577.24 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125356 | CIF | C28 H49 N5 O7 | P 1 21 1 | 11.7165; 16.9463; 16.0776 90; 91.257; 90 | 3191.5 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125357 | CIF | C32 H52 N6 O6 | P 21 21 21 | 11.725; 22.82; 25.93 90; 90; 90 | 6938 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125358 | CIF | C29 H43 N5 O7 | P 1 21 1 | 10.6027; 8.8911; 15.9646 90; 97.122; 90 | 1493.37 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125359 | CIF | C27 H48 N6 O6 | P 21 21 21 | 9.7541; 10.7355; 29.43 90; 90; 90 | 3081.8 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125360 | CIF | C29 H50 N6 O6 | P 21 21 21 | 9.6852; 10.7444; 31.296 90; 90; 90 | 3256.7 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125361 | CIF | C28 H43 N5 O7 | P 1 21 1 | 10.6617; 8.8095; 15.8579 90; 97.106; 90 | 1478 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125362 | CIF | C30 H44 N4 O7 S | P 21 21 21 | 14.0134; 21.2939; 11.1225 90; 90; 90 | 3319 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125363 | CIF | C29 H53 N7 O9 | P 1 21 1 | 9.6527; 18.7582; 10.5398 90; 115.399; 90 | 1724 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125364 | CIF | C33 H50 N4 O7 S | P 21 21 21 | 11.8017; 15.0992; 19.6217 90; 90; 90 | 3496.5 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125365 | CIF | C22 H37 N5 O7 | P 1 21 1 | 9.8381; 10.3396; 25.5626 90; 97.525; 90 | 2577.9 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125366 | CIF | C29.25 H54.5 Cl N6 O6.25 | C 1 2 1 | 27.2814; 15.4659; 17.7648 90; 106.757; 90 | 7177.2 | Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J. Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences. Journal of the American Chemical Society, 2017, 139, 492-516 |
4125367 | CIF | C58 H88 Li4 N4 O8 | P 1 21 1 | 12.3684; 18.2504; 13.2045 90; 108.027; 90 | 2834.3 | Yu, Kai; Lu, Ping; Jackson, Jeffrey J.; Nguyen, Thuy-Ai D; Alvarado, Joseph; Stivala, Craig E.; Ma, Yun; Mack, Kyle A.; Hayton, Trevor W.; Collum, David B.; Zakarian, Armen Lithium Enolates in the Enantioselective Construction of Tetrasubstituted Carbon Centers with Chiral Lithium Amides as Noncovalent Stereodirecting Auxiliaries. Journal of the American Chemical Society, 2017, 139, 527-533 |
4125368 | CIF | C53 H39 Cl3 F12 N4 O6 | P 1 21/c 1 | 13.903; 30.755; 12.122 90; 98.163; 90 | 5130.7 | Guberman-Pfeffer, Matthew J; Greco, Jordan A.; Samankumara, Lalith P.; Zeller, Matthias; Birge, Robert R.; Gascón, José A; Brückner, Christian Bacteriochlorins with a Twist: Discovery of a Unique Mechanism to Red-Shift the Optical Spectra of Bacteriochlorins. Journal of the American Chemical Society, 2017, 139, 548-560 |
4125369 | CIF | C112 H152 N6 O36 P6 Zn6 | P -1 | 15.158; 15.3757; 15.9657 61.884; 69.613; 80.627 | 3076.4 | Gupta, Sandeep K.; Kalita, Alok Ch; Dar, Aijaz A.; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy Elusive Double-Eight-Ring Zeolitic Secondary Building Unit. Journal of the American Chemical Society, 2017, 139, 59-62 |
4125370 | CIF | C152 H187 N12 O40 P8 Zn8 | P 1 21/c 1 | 20.717; 28.654; 31.996 90; 99.303; 90 | 18744 | Gupta, Sandeep K.; Kalita, Alok Ch; Dar, Aijaz A.; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy Elusive Double-Eight-Ring Zeolitic Secondary Building Unit. Journal of the American Chemical Society, 2017, 139, 59-62 |
4125371 | CIF | C88 H124 F N5 O20 P4 Zn4 | C 1 2/c 1 | 24.471; 21.59; 18.982 90; 90.508; 90 | 10028 | Gupta, Sandeep K.; Kalita, Alok Ch; Dar, Aijaz A.; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy Elusive Double-Eight-Ring Zeolitic Secondary Building Unit. Journal of the American Chemical Society, 2017, 139, 59-62 |
4125372 | CIF | C172 H202 Cl8 N30 O32 P8 Zn8 | P -1 | 20.1992; 20.2; 30.891 87.998; 71.693; 60.233 | 10275 | Gupta, Sandeep K.; Kalita, Alok Ch; Dar, Aijaz A.; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy Elusive Double-Eight-Ring Zeolitic Secondary Building Unit. Journal of the American Chemical Society, 2017, 139, 59-62 |
4125373 | CIF | C92.88 H28 Cl0.72 N5.52 O36 Re0.78 Zr6 | F m -3 m | 26.7213; 26.7213; 26.7213 90; 90; 90 | 19079.8 | Choi, Kyung Min; Kim, Dohyung; Rungtaweevoranit, Bunyarat; Trickett, Christopher A.; Barmanbek, Jesika Trese Deniz; Alshammari, Ahmad S.; Yang, Peidong; Yaghi, Omar M. Plasmon-Enhanced Photocatalytic CO2 Conversion within Metal-Organic Frameworks under Visible Light. Journal of the American Chemical Society, 2017, 139, 356-362 |
4125374 | CIF | C39 H36 B Cl2 F10 O2 P | P -1 | 12.1938; 12.1954; 14.403 95.074; 104.765; 110.31 | 1905 | Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W. Reactions of Boron-Derived Radicals with Nucleophiles. Journal of the American Chemical Society, 2017, 139, 426-435 |
4125375 | CIF | C46 H22 B F10 O2 P | P -1 | 12.1499; 12.23; 14.2517 67.943; 72.004; 68.902 | 1793.79 | Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W. Reactions of Boron-Derived Radicals with Nucleophiles. Journal of the American Chemical Society, 2017, 139, 426-435 |
4125376 | CIF | C51 H30 B F10 O2 P | C 1 2/c 1 | 35.141; 12.6854; 19.7553 90; 110.047; 90 | 8272.9 | Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W. Reactions of Boron-Derived Radicals with Nucleophiles. Journal of the American Chemical Society, 2017, 139, 426-435 |
4125377 | CIF | C44 H22 B F10 O2 P | P -1 | 11.5384; 12.434; 14.3574 100.016; 103.12; 112.579 | 1772.5 | Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W. Reactions of Boron-Derived Radicals with Nucleophiles. Journal of the American Chemical Society, 2017, 139, 426-435 |
4125378 | CIF | C68 H40 B2 Cl4 F20 N4 O4 | P -1 | 11.331; 14.461; 20.313 79.494; 76.28; 80.221 | 3151.2 | Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W. Reactions of Boron-Derived Radicals with Nucleophiles. Journal of the American Chemical Society, 2017, 139, 426-435 |
4125379 | CIF | C36 H26 B F10 O2 P | P -1 | 11.272; 11.615; 12.999 96.308; 98.573; 109.688 | 1560.9 | Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W. Reactions of Boron-Derived Radicals with Nucleophiles. Journal of the American Chemical Society, 2017, 139, 426-435 |
4125380 | CIF | C48 H26 B Cl4 F10 O2 P | P -1 | 11.266; 14.188; 15.869 93.22; 109.04; 106.77 | 2264 | Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W. Reactions of Boron-Derived Radicals with Nucleophiles. Journal of the American Chemical Society, 2017, 139, 426-435 |
4125381 | CIF | C39 H38 B Cl2 F10 O2 P | P b c a | 20.116; 16.403; 23.728 90; 90; 90 | 7829 | Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W. Reactions of Boron-Derived Radicals with Nucleophiles. Journal of the American Chemical Society, 2017, 139, 426-435 |
4125382 | CIF | C48 H33 B Cl2 F10 N2 O2 | P 1 21/c 1 | 14.349; 14.6217; 21.734 90; 103.312; 90 | 4437.4 | Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W. Reactions of Boron-Derived Radicals with Nucleophiles. Journal of the American Chemical Society, 2017, 139, 426-435 |
4125383 | CIF | C45 H30 B F10 O2 P | P -1 | 11.9389; 12.3205; 13.4662 75.071; 79.753; 76.984 | 1849.57 | Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W. Reactions of Boron-Derived Radicals with Nucleophiles. Journal of the American Chemical Society, 2017, 139, 426-435 |
4125384 | CIF | C39 H32 B F10 N O3.5 | P -1 | 10.1843; 12.478; 14.2277 96.946; 94.317; 113.853 | 1626.1 | Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W. Reactions of Boron-Derived Radicals with Nucleophiles. Journal of the American Chemical Society, 2017, 139, 426-435 |
4125385 | CIF | C40 H35 B F10 N2 O2 | P 1 21/n 1 | 17.84; 11.2767; 18.421 90; 106.581; 90 | 3551.8 | Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W. Reactions of Boron-Derived Radicals with Nucleophiles. Journal of the American Chemical Society, 2017, 139, 426-435 |
4125386 | CIF | C68 H116 Cl2 Cu N8 O10 | P 1 21/c 1 | 10.79777; 18.02876; 18.36383 90; 95.7982; 90 | 3556.6 | Adam, Suzanne M.; Garcia-Bosch, Isaac; Schaefer, Andrew W.; Sharma, Savita K.; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D. Critical Aspects of Heme-Peroxo-Cu Complex Structure and Nature of Proton Source Dictate Metal-Operoxo Breakage versus Reductive O-O Cleavage Chemistry. Journal of the American Chemical Society, 2017, 139, 472-481 |
4125387 | CIF | C21 H16 Cl4 Cu F6 N2 O | P 1 21/m 1 | 7.2563; 19.6314; 8.5775 90; 90.146; 90 | 1221.9 | Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H. Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols. Journal of the American Chemical Society, 2017, 139, 1045-1048 |
4125388 | CIF | C37 H37 Cl4 Cu F6 N2 S2 | P 1 21/n 1 | 12.494; 13.226; 23.435 90; 104.249; 90 | 3753.4 | Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H. Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols. Journal of the American Chemical Society, 2017, 139, 1045-1048 |
4125389 | CIF | C39 H37 Cl4 Cu F6 N2 S2 | P b c a | 17.9172; 17.5654; 25.9568 90; 90; 90 | 8169.2 | Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H. Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols. Journal of the American Chemical Society, 2017, 139, 1045-1048 |
4125390 | CIF | C23 H47 Fe N4 O2 S2 | P n a 21 | 17.958; 8.561; 18.156 90; 90; 90 | 2791.3 | Villar-Acevedo, Gloria; Lugo-Mas, Priscilla; Blakely, Maike N.; Rees, Julian A.; Ganas, Abbie S.; Hanada, Erin M.; Kaminsky, Werner; Kovacs, Julie A. Metal-Assisted Oxo Atom Addition to an Fe(III) Thiolate. Journal of the American Chemical Society, 2017, 139, 119-129 |
4125391 | CIF | C379 H345 Ag63 B Cl6 F71.41 P8 S36 | R -3 | 25.3369; 25.3369; 114.6628 90; 90; 120 | 63747 | Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes. Journal of the American Chemical Society, 2017, 139, 31-34 |
4125392 | CIF | C315 Ag63 Br F72 P8 S36 | R -3 | 25.2879; 25.2879; 114.758 90; 90; 120 | 63553.5 | Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes. Journal of the American Chemical Society, 2017, 139, 31-34 |
4125393 | CIF | C256 H294 Ag38 Cl8 F52 P8 S26 | P 1 21/n 1 | 23.5229; 22.1084; 30.7227 90; 101.956; 90 | 15630.8 | Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes. Journal of the American Chemical Society, 2017, 139, 31-34 |
4125394 | CIF | C127.92 H73.12 N27.44 Ni10.24 O21.98 | P m -3 m | 21.5588; 21.5588; 21.5588 90; 90; 90 | 10020.1 | Lv, Xiu-Liang; Wang, Kecheng; Wang, Bin; Su, Jie; Zou, Xiaodong; Xie, Yabo; Li, Jian-Rong; Zhou, Hong-Cai A Base-Resistant Metalloporphyrin Metal-Organic Framework for C-H Bond Halogenation. Journal of the American Chemical Society, 2017, 139, 211-217 |
4125395 | CIF | C31 H33 B Cl Ir N3 Si | P 1 21/c 1 | 15.571; 27.889; 13.1594 90; 93.496; 90 | 5704 | Wang, Guanghui; Liu, Li; Wang, Hong; Ding, You-Song; Zhou, Jing; Mao, Shuai; Li, Pengfei N,B-Bidentate Boryl Ligand-Supported Iridium Catalyst for Efficient Functional-Group-Directed C-H Borylation. Journal of the American Chemical Society, 2017, 139, 91-94 |
4125396 | CIF | C27 H27 B Cl Ir N3 Si | P 41 21 2 | 11.047; 11.047; 42.43 90; 90; 90 | 5178 | Wang, Guanghui; Liu, Li; Wang, Hong; Ding, You-Song; Zhou, Jing; Mao, Shuai; Li, Pengfei N,B-Bidentate Boryl Ligand-Supported Iridium Catalyst for Efficient Functional-Group-Directed C-H Borylation. Journal of the American Chemical Society, 2017, 139, 91-94 |
4125397 | CIF | C21.38 H32.5 B N4 O6.38 | P 1 | 11.1773; 12.6727; 18.2164 100.992; 97.611; 91.693 | 2506.7 | Bandyopadhyay, Anupam; Cambray, Samantha; Gao, Jianmin Fast Diazaborine Formation of Semicarbazide Enables Facile Labeling of Bacterial Pathogens. Journal of the American Chemical Society, 2017, 139, 871-878 |
4125406 | CIF | C112 H140 Cr N6 O | P 1 21/c 1 | 20.1406; 23.222; 23.1156 90; 108.643; 90 | 10244 | Büldt, Laura A; Guo, Xingwei; Vogel, Raphael; Prescimone, Alessandro; Wenger, Oliver S. A Tris(diisocyanide)chromium(0) Complex Is a Luminescent Analog of Fe(2,2'-Bipyridine)3(2). Journal of the American Chemical Society, 2017, 139, 985-992 |
4125407 | CIF | C55 H136 N7 O0 P3 Pd12 Sb21 | P 1 21/n 1 | 16.834; 31.679; 19.255 90; 106.808; 90 | 9830 | Wang, Yi; Moses-DeBusk, Melanie; Stevens, Lauren; Hu, Junkai; Zavalij, Peter; Bowen, Kit; Dunlap, Brett I.; Glaser, Evan R.; Eichhorn, Bryan Sb@Ni12@Sb20(-/+) and Sb@Pd12@Sb20(n) Cluster Anions, Where n = +1, -1, -3, -4: Multi-Oxidation-State Clusters of Interpenetrating Platonic Solids. Journal of the American Chemical Society, 2017, 139, 619-622 |
4125408 | CIF | C92 H176 P4 Pd12 Sb21 | C 1 2/m 1 | 19.3446; 20.8536; 19.6141 90; 117.117; 90 | 7042.7 | Wang, Yi; Moses-DeBusk, Melanie; Stevens, Lauren; Hu, Junkai; Zavalij, Peter; Bowen, Kit; Dunlap, Brett I.; Glaser, Evan R.; Eichhorn, Bryan Sb@Ni12@Sb20(-/+) and Sb@Pd12@Sb20(n) Cluster Anions, Where n = +1, -1, -3, -4: Multi-Oxidation-State Clusters of Interpenetrating Platonic Solids. Journal of the American Chemical Society, 2017, 139, 619-622 |
4125410 | CIF | C34 H44 Cl10 Rh2 | P -1 | 10.387; 12.581; 17.001 74.868; 75.734; 68.376 | 1965.6 | Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study. Journal of the American Chemical Society, 2017, 139, 1296-1310 |
4125411 | CIF | C24 H42 Cl4 Rh2 Si2 | P 1 21/n 1 | 8.8158; 10.8021; 15.834 90; 99.18; 90 | 1488.55 | Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study. Journal of the American Chemical Society, 2017, 139, 1296-1310 |
4125412 | CIF | C30 H34 Cl4 Rh2 | P -1 | 8.7569; 17.2308; 20.2703 107.469; 90.3607; 98.5771 | 2880.6 | Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study. Journal of the American Chemical Society, 2017, 139, 1296-1310 |
4125413 | CIF | C26 H42 Cl4 Rh2 | C 1 2/c 1 | 22.258; 12.0838; 32.954 90; 94.378; 90 | 8837 | Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study. Journal of the American Chemical Society, 2017, 139, 1296-1310 |
4125414 | CIF | C23 H33 Cl13 Rh2 | P 1 21/c 1 | 16.2813; 16.6938; 13.754 90; 106.587; 90 | 3582.7 | Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study. Journal of the American Chemical Society, 2017, 139, 1296-1310 |
4125415 | CIF | C30 H46 Cl4 Rh2 | P 1 21/c 1 | 7.69; 11.9817; 16.7847 90; 100.257; 90 | 1521.8 | Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study. Journal of the American Chemical Society, 2017, 139, 1296-1310 |
4125416 | CIF | C32 H38 Cl4 Rh2 | P 1 21/c 1 | 8.6256; 8.6786; 20.448 90; 90.4595; 90 | 1530.65 | Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study. Journal of the American Chemical Society, 2017, 139, 1296-1310 |
4125417 | CIF | C32 H38 Cl4 O2 Rh2 | C 1 2/c 1 | 37.104; 8.7364; 20.2317 90; 107.84; 90 | 6242.9 | Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study. Journal of the American Chemical Society, 2017, 139, 1296-1310 |
4125418 | CIF | C20 H24 Cl10 Rh2 | P -1 | 9.6416; 12.1709; 12.2625 98.803; 101.711; 91.939 | 1389.28 | Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study. Journal of the American Chemical Society, 2017, 139, 1296-1310 |
4125419 | CIF | C20 H24 Cl4 F6 Rh2 | R -3 :H | 28.244; 28.244; 8.1899 90; 90; 120 | 5658 | Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study. Journal of the American Chemical Society, 2017, 139, 1296-1310 |
4125420 | CIF | C32 H26 Cl10 F10 Rh2 | P 1 21/c 1 | 14.185; 7.9695; 20.6751 90; 102.411; 90 | 2282.64 | Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study. Journal of the American Chemical Society, 2017, 139, 1296-1310 |
4125421 | CIF | C18 H26 Cl4 Rh2 | P 1 21/n 1 | 8.9257; 7.2269; 16.0203 90; 101.235; 90 | 1013.59 | Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study. Journal of the American Chemical Society, 2017, 139, 1296-1310 |
4125422 | CIF | C16 H22 Cl4 Rh2 | P 1 21/n 1 | 9.8019; 6.9703; 13.8154 90; 104.652; 90 | 913.2 | Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study. Journal of the American Chemical Society, 2017, 139, 1296-1310 |
4125423 | CIF | C24 H38 Cl4 Rh2 | P -1 | 8.32; 8.922; 9.425 102.237; 106.68; 94.698 | 647.3 | Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study. Journal of the American Chemical Society, 2017, 139, 1296-1310 |
4125424 | CIF | C33 H32 Cl6 Rh1.5 | P -1 | 14.9273; 15.2598; 16.0016 102.193; 115.757; 95.4782 | 3135.34 | Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study. Journal of the American Chemical Society, 2017, 139, 1296-1310 |
4125425 | CIF | C22 H28 Cl10 Rh2 | P 1 21/c 1 | 7.2985; 23.3122; 9.2025 90; 109.431; 90 | 1476.57 | Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study. Journal of the American Chemical Society, 2017, 139, 1296-1310 |
4125426 | CIF | C26 H42 Cl4 Rh2 | P 1 21/n 1 | 8.5293; 10.5886; 15.2966 90; 97.5113; 90 | 1369.63 | Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study. Journal of the American Chemical Society, 2017, 139, 1296-1310 |
4125427 | CIF | C40 H38 Cl4 Rh2 | P 1 21/n 1 | 8.6286; 11.6386; 17.4135 90; 100.959; 90 | 1716.86 | Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study. Journal of the American Chemical Society, 2017, 139, 1296-1310 |
4125428 | CIF | C34 H30 Cl4 F12 Rh2 | P -1 | 8.8891; 9.1965; 11.9521 86.86; 85.063; 72.177 | 926.31 | Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study. Journal of the American Chemical Society, 2017, 139, 1296-1310 |
4125429 | CIF | C28 H42 Cl4 Rh2 | C 1 2/c 1 | 27.0507; 9.8673; 11.7807 90; 112.954; 90 | 2895.5 | Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study. Journal of the American Chemical Society, 2017, 139, 1296-1310 |
4125430 | CIF | C19 H21 N | P 21 21 21 | 5.846; 14.9613; 16.7311 90; 90; 90 | 1463.36 | Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226 |
4125431 | CIF | C11 H10 F2 O2 S | P n a 21 | 6.7725; 13.8233; 11.1737 90; 90; 90 | 1046.1 | Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226 |
4125432 | CIF | C16 H21 N | P n a 21 | 26.797; 8.5062; 5.7903 90; 90; 90 | 1319.8 | Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226 |
4125433 | CIF | C30 H33 F3 O4 S | P 21 21 21 | 6.6458; 8.1522; 48.228 90; 90; 90 | 2612.89 | Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226 |
4125434 | CIF | C18 H15 Br F2 O4 S | P 21 21 21 | 10.4069; 12.6398; 13.3704 90; 90; 90 | 1758.76 | Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226 |
4125435 | CIF | C20 H21 F2 N O2 S | C 1 2 1 | 63.0115; 6.0061; 9.4791 90; 98.186; 90 | 3550.8 | Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226 |
4125436 | CIF | C12 H14 F2 O5 S2 | P 1 21 1 | 9.6649; 5.7972; 25.224 90; 99.212; 90 | 1395.1 | Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226 |
4125437 | CIF | C18 H18 F2 O3 S2 | P 1 21 1 | 7.8306; 5.4318; 20.139 90; 98.442; 90 | 847.3 | Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226 |
4125438 | CIF | C11 H10 F2 O2 S | P 21 21 21 | 6.7965; 11.0812; 13.9075 90; 90; 90 | 1047.42 | Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226 |
4125439 | CIF | C15 H15 F3 N2 O2 S | P 1 21 1 | 10.9261; 5.0669; 14.3346 90; 107.161; 90 | 758.25 | Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226 |
4125440 | CIF | C22 H26 F2 N2 O2 S | P 1 21 1 | 9.5529; 5.9734; 35.8785 90; 90.348; 90 | 2047.31 | Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226 |
4125441 | CIF | C31 H44 B N2 | P 1 21/n 1 | 12.86; 12.175; 18.825 90; 107.91; 90 | 2804.6 | Braunschweig, Holger; Krummenacher, Ivo; Légaré, Marc-André; Matler, Alexander; Radacki, Krzysztof; Ye, Qing Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron. Journal of the American Chemical Society, 2017, 139, 1802-1805 |
4125442 | CIF | C31 H44 B N O | P -1 | 9.154; 9.287; 18.066 101.655; 90.463; 114.635 | 1359.9 | Braunschweig, Holger; Krummenacher, Ivo; Légaré, Marc-André; Matler, Alexander; Radacki, Krzysztof; Ye, Qing Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron. Journal of the American Chemical Society, 2017, 139, 1802-1805 |
4125443 | CIF | C35 H52 B N3 | P 1 21/n 1 | 10.421; 19.936; 14.992 90; 92.682; 90 | 3111.2 | Braunschweig, Holger; Krummenacher, Ivo; Légaré, Marc-André; Matler, Alexander; Radacki, Krzysztof; Ye, Qing Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron. Journal of the American Chemical Society, 2017, 139, 1802-1805 |
4125444 | CIF | C35 H49 B N2 | P -1 | 9.803; 10.599; 14.676 82.401; 88.02; 85.37 | 1506.1 | Braunschweig, Holger; Krummenacher, Ivo; Légaré, Marc-André; Matler, Alexander; Radacki, Krzysztof; Ye, Qing Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron. Journal of the American Chemical Society, 2017, 139, 1802-1805 |
4125445 | CIF | C30 H44 B N | P 1 2/c 1 | 17.216; 9.185; 17.525 90; 110.02; 90 | 2603.8 | Braunschweig, Holger; Krummenacher, Ivo; Légaré, Marc-André; Matler, Alexander; Radacki, Krzysztof; Ye, Qing Main-Group Metallomimetics: Transition Metal-like Photolytic CO Substitution at Boron. Journal of the American Chemical Society, 2017, 139, 1802-1805 |
4125446 | CIF | C48 H32 Cl2 Fe6 O30 | F m -3 m | 41.0408; 41.0408; 41.0408 90; 90; 90 | 69127 | Shen, Jian-Qiang; Liao, Pei-Qin; Zhou, Dong-Dong; He, Chun-Ting; Wu, Jun-Xi; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming Modular and Stepwise Synthesis of a Hybrid Metal-Organic Framework for Efficient Electrocatalytic Oxygen Evolution. Journal of the American Chemical Society, 2017, 139, 1778-1781 |
4125447 | CIF | C84 H52 Co3 Fe6 N6 O41 | F m -3 m | 41.5406; 41.5406; 41.5406 90; 90; 90 | 71683.4 | Shen, Jian-Qiang; Liao, Pei-Qin; Zhou, Dong-Dong; He, Chun-Ting; Wu, Jun-Xi; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming Modular and Stepwise Synthesis of a Hybrid Metal-Organic Framework for Efficient Electrocatalytic Oxygen Evolution. Journal of the American Chemical Society, 2017, 139, 1778-1781 |
4125448 | CIF | C84 H56 Co9 N6 O41 | F m -3 m | 41.5308; 41.5308; 41.5308 90; 90; 90 | 71632.6 | Shen, Jian-Qiang; Liao, Pei-Qin; Zhou, Dong-Dong; He, Chun-Ting; Wu, Jun-Xi; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming Modular and Stepwise Synthesis of a Hybrid Metal-Organic Framework for Efficient Electrocatalytic Oxygen Evolution. Journal of the American Chemical Society, 2017, 139, 1778-1781 |
4125449 | CIF | C30 H24 Br3 N O9 | P 1 21 1 | 12.5748; 5.6465; 21.2806 90; 97.453; 90 | 1498.23 | Sanhueza, Carlos A.; Baksh, Michael M.; Thuma, Benjamin; Roy, Marc D.; Dutta, Sanjay; Préville, Cathy; Chrunyk, Boris A.; Beaumont, Kevin; Dullea, Robert; Ammirati, Mark; Liu, Shenping; Gebhard, David; Finley, James E.; Salatto, Christopher T.; King-Ahmad, Amanda; Stock, Ingrid; Atkinson, Karen; Reidich, Benjamin; Lin, Wen; Kumar, Rajesh; Tu, Meihua; Menhaji-Klotz, Elnaz; Price, David A.; Liras, Spiros; Finn, M. G.; Mascitti, Vincent Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor. Journal of the American Chemical Society, 2017, 139, 3528-3536 |
4125450 | CIF | C32 H35 Cl6 N3 O6 S | P 1 | 9.157; 9.4895; 20.4389 93.5118; 100.858; 97.4709 | 1722.72 | Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines. Journal of the American Chemical Society, 2017, 139, 2216-2223 |
4125451 | CIF | C16 H24 N2 O3 S | P 1 21/n 1 | 14.3182; 7.3622; 15.3001 90; 91.8438; 90 | 1612 | Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines. Journal of the American Chemical Society, 2017, 139, 2216-2223 |
4125452 | CIF | C23 H29 B O3 | P 1 21/n 1 | 10.6749; 8.3751; 23.18 90; 100.208; 90 | 2039.6 | Benoit, Guillaume; Charette, André B Diastereoselective Borocyclopropanation of Allylic Ethers Using a Boromethylzinc Carbenoid. Journal of the American Chemical Society, 2017, 139, 1364-1367 |
4125453 | CIF | C32 H27 Br O6 | P 21 21 21 | 10.4158; 12.3181; 20.3632 90; 90; 90 | 2612.66 | Zhao, Guoqing; Xu, Guangqing; Qian, Chao; Tang, Wenjun Efficient Enantioselective Syntheses of (+)-Dalesconol A and B. Journal of the American Chemical Society, 2017, 139, 3360-3363 |
4125454 | CIF | C45 H55 F6 N5 O15 Rh2 S2 | P -1 | 12.043; 14.846; 15.764 71.267; 78.309; 78.41 | 2585.6 | Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings. Journal of the American Chemical Society, 2017, 139, 1653-1660 |
4125455 | CIF | C84 H92 F12 N8 O28 Rh4 S4 | P 1 21/n 1 | 15.5584; 25.541; 25.687 90; 107.332; 90 | 9744 | Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings. Journal of the American Chemical Society, 2017, 139, 1653-1660 |
4125456 | CIF | C94 H92 F12 N8 O26 Rh4 S4 | P -1 | 14.412; 20.181; 21.21 92.724; 95.238; 95.152 | 6108.7 | Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings. Journal of the American Chemical Society, 2017, 139, 1653-1660 |
4125457 | CIF | C105 H111 F12 N8 O30 Rh4 S4 | P 1 21/n 1 | 16.0557; 35.685; 21.5588 90; 109.033; 90 | 11676.8 | Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings. Journal of the American Chemical Society, 2017, 139, 1653-1660 |
4125458 | CIF | C108 H118 F12 N8 O27 Rh4 S4 | C 1 2/c 1 | 40.736; 14.9836; 24.2513 90; 117.182; 90 | 13167.5 | Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings. Journal of the American Chemical Society, 2017, 139, 1653-1660 |
4125459 | CIF | C120.33 H147.33 F12 N12 O41.33 Rh4 S4 | P -1 | 23.8258; 27.4343; 40.6296 93.922; 104.442; 111.411 | 23565.8 | Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings. Journal of the American Chemical Society, 2017, 139, 1653-1660 |
4125460 | CIF | C145 H143 F12 N8 O32 Ru4 S4 | P -1 | 20.056; 20.982; 20.994 67.29; 69.595; 64.503 | 7177.1 | Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings. Journal of the American Chemical Society, 2017, 139, 1653-1660 |
4125461 | CIF | C116 H144 F12 N8 O38 Rh4 S4 | P 1 21/n 1 | 27.5131; 16.0386; 34.0114 90; 112.28; 90 | 13887.8 | Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings. Journal of the American Chemical Society, 2017, 139, 1653-1660 |
4125462 | CIF | C48 H67 Br N25 O12 | P 1 21/c 1 | 19.3696; 15.3999; 24.2089 90; 94.022; 90 | 7203.49 | Fiala, Tomas; Ludvíková, Lucie; Heger, Dominik; Švec, Jan; Slanina, Tomáš; Vetráková, L'ubica; Babiak, Michal; Nečas, Marek; Kulhánek, Petr; Klán, Petr; Sindelar, Vladimir Bambusuril as a One-Electron Donor for Photoinduced Electron Transfer to Methyl Viologen in Mixed Crystals. Journal of the American Chemical Society, 2017, 139, 2597-2603 |
4125463 | CIF | C17 H23 N O2 | P 1 21/c 1 | 10.1842; 22.035; 6.8426 90; 99.143; 90 | 1516 | Petrone, David A.; Franzoni, Ivan; Ye, Juntao; Rodríguez, José F; Poblador-Bahamonde, Amalia I; Lautens, Mark Palladium-Catalyzed Hydrohalogenation of 1,6-Enynes: Hydrogen Halide Salts and Alkyl Halides as Convenient HX Surrogates. Journal of the American Chemical Society, 2017, 139, 3546-3557 |
4125464 | CIF | C17 H22 Br N O2 | P 1 21/n 1 | 6.4581; 20.914; 12.284 90; 95.867; 90 | 1650.4 | Petrone, David A.; Franzoni, Ivan; Ye, Juntao; Rodríguez, José F; Poblador-Bahamonde, Amalia I; Lautens, Mark Palladium-Catalyzed Hydrohalogenation of 1,6-Enynes: Hydrogen Halide Salts and Alkyl Halides as Convenient HX Surrogates. Journal of the American Chemical Society, 2017, 139, 3546-3557 |
4125465 | CIF | C17 H22 I N O2 | P -1 | 9.6103; 9.9716; 10.1536 75.6; 84.472; 64.298 | 849.13 | Petrone, David A.; Franzoni, Ivan; Ye, Juntao; Rodríguez, José F; Poblador-Bahamonde, Amalia I; Lautens, Mark Palladium-Catalyzed Hydrohalogenation of 1,6-Enynes: Hydrogen Halide Salts and Alkyl Halides as Convenient HX Surrogates. Journal of the American Chemical Society, 2017, 139, 3546-3557 |
4125466 | CIF | C65.5 H60 B F24 Mo N3 O P2 | P -1 | 13.1536; 13.9867; 19.6553 103.578; 107.187; 95.011 | 3309.9 | Bhattacharya, Papri; Heiden, Zachariah M.; Wiedner, Eric S.; Raugei, Simone; Piro, Nicholas A.; Kassel, W. Scott; Bullock, R. Morris; Mock, Michael T. Ammonia Oxidation by Abstraction of Three Hydrogen Atoms from a Mo-NH3 Complex. Journal of the American Chemical Society, 2017, 139, 2916-2919 |
4125467 | CIF | C79 H82 B F24 Mo N3 O P2 | P 21 21 21 | 18.6539; 20.3751; 20.911 90; 90; 90 | 7947.7 | Bhattacharya, Papri; Heiden, Zachariah M.; Wiedner, Eric S.; Raugei, Simone; Piro, Nicholas A.; Kassel, W. Scott; Bullock, R. Morris; Mock, Michael T. Ammonia Oxidation by Abstraction of Three Hydrogen Atoms from a Mo-NH3 Complex. Journal of the American Chemical Society, 2017, 139, 2916-2919 |
4125468 | CIF | C62 H81 B O2 Th | P 1 21/n 1 | 14.0198; 12.6245; 29.5965 90; 92.0068; 90 | 5235.2 | Langeslay, Ryan R.; Chen, Guo P.; Windorff, Cory J.; Chan, Alan K.; Ziller, Joseph W.; Furche, Filipp; Evans, William J. Synthesis, Structure, and Reactivity of the Sterically Crowded Th(3+) Complex (C5Me5)3Th Including Formation of the Thorium Carbonyl, [(C5Me5)3Th(CO)][BPh4]. Journal of the American Chemical Society, 2017, 139, 3387-3398 |
4125469 | CIF | C30 H45 Th | P 63/m | 10.017; 10.017; 15.418 90; 90; 120 | 1339.8 | Langeslay, Ryan R.; Chen, Guo P.; Windorff, Cory J.; Chan, Alan K.; Ziller, Joseph W.; Furche, Filipp; Evans, William J. Synthesis, Structure, and Reactivity of the Sterically Crowded Th(3+) Complex (C5Me5)3Th Including Formation of the Thorium Carbonyl, [(C5Me5)3Th(CO)][BPh4]. Journal of the American Chemical Society, 2017, 139, 3387-3398 |
4125470 | CIF | C31 H48 Th | P 63/m | 10.0524; 10.0524; 15.4433 90; 90; 120 | 1351.5 | Langeslay, Ryan R.; Chen, Guo P.; Windorff, Cory J.; Chan, Alan K.; Ziller, Joseph W.; Furche, Filipp; Evans, William J. Synthesis, Structure, and Reactivity of the Sterically Crowded Th(3+) Complex (C5Me5)3Th Including Formation of the Thorium Carbonyl, [(C5Me5)3Th(CO)][BPh4]. Journal of the American Chemical Society, 2017, 139, 3387-3398 |
4125471 | CIF | C20 H18 N O | P c a 21 | 13.96917; 7.51073; 14.95331 90; 90; 90 | 1568.88 | Sevov, Christo S.; Hickey, David P.; Cook, Monique E.; Robinson, Sophia G.; Barnett, Shoshanna; Minteer, Shelley D.; Sigman, Matthew S.; Sanford, Melanie S. Physical Organic Approach to Persistent, Cyclable, Low-Potential Electrolytes for Flow Battery Applications. Journal of the American Chemical Society, 2017, 139, 2924-2927 |
4125472 | CIF | C69.97 H60 O2 P2 S16 V | P -1 | 12.86; 13.2615; 22.4444 92.528; 94.167; 108.759 | 3605.6 | Graham, Michael J.; Yu, Chung-Jui; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Freedman, Danna E. Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence. Journal of the American Chemical Society, 2017, 139, 3196-3201 |
4125473 | CIF | C54 H52 O P2 S4 V | P 1 21 1 | 11.0523; 15.3821; 27.7478 90; 91.969; 90 | 4714.6 | Graham, Michael J.; Yu, Chung-Jui; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Freedman, Danna E. Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence. Journal of the American Chemical Society, 2017, 139, 3196-3201 |
4125474 | CIF | C62 H58.49 N2 O P2 S8 V | P -1 | 10.663; 12.686; 22.853 103.838; 98.039; 98.816 | 2916 | Graham, Michael J.; Yu, Chung-Jui; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Freedman, Danna E. Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence. Journal of the American Chemical Society, 2017, 139, 3196-3201 |
4125475 | CIF | C14 H12 O2 | P b c a | 7.5565; 16.3552; 17.6239 90; 90; 90 | 2178.1 | Sagadevan, Arunachalam; Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Hwang, Kuo Chu Visible Light Copper Photoredox-Catalyzed Aerobic Oxidative Coupling of Phenols and Terminal Alkynes: Regioselective Synthesis of Functionalized Ketones via C≡C Triple Bond Cleavage. Journal of the American Chemical Society, 2017, 139, 2896-2899 |
4125476 | CIF | C27 H36 Br N3 O6 | C 1 2 1 | 32.039; 8.102; 10.3858 90; 101.971; 90 | 2637.3 | Liang, Xiao; Zhang, Tian-Yuan; Zeng, Xue-Yi; Zheng, Yu; Wei, Kun; Yang, Yu-Rong Ir-Catalyzed Asymmetric Total Synthesis of (-)-Communesin F. Journal of the American Chemical Society, 2017, 139, 3364-3367 |
4125477 | CIF | C32 H33 Br N2 O4 S | P 21 21 21 | 10.557; 11.967; 23.185 90; 90; 90 | 2929.1 | Liang, Xiao; Zhang, Tian-Yuan; Zeng, Xue-Yi; Zheng, Yu; Wei, Kun; Yang, Yu-Rong Ir-Catalyzed Asymmetric Total Synthesis of (-)-Communesin F. Journal of the American Chemical Society, 2017, 139, 3364-3367 |
4125478 | CIF | C19.5 H33.5 N4 O3 S Si | P 1 21/c 1 | 8.0108; 16.3497; 36.6816 90; 90.004; 90 | 4804.3 | Lo, Julian C.; Kim, Dongyoung; Pan, Chung-Mao; Edwards, Jacob T.; Yabe, Yuki; Gui, Jinghan; Qin, Tian; Gutiérrez, Sara; Giacoboni, Jessica; Smith, Myles W.; Holland, Patrick L.; Baran, Phil S. Fe-Catalyzed C-C Bond Construction from Olefins via Radicals. Journal of the American Chemical Society, 2017, 139, 2484-2503 |
4125479 | CIF | C44 H32 Fe2 N24 O6 Pd2 | P 1 21/n 1 | 26.48; 7.2231; 28.774 90; 110.34; 90 | 5160 | Murphy, Michael J.; Zenere, Katrina A.; Ragon, Florence; Southon, Peter D.; Kepert, Cameron J.; Neville, Suzanne M. Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material. Journal of the American Chemical Society, 2017, 139, 1330-1335 |
4125480 | CIF | C22 H16 Fe N12 O3 Pd | C 1 2/c 1 | 26.5529; 7.2804; 28.9809 90; 110.53; 90 | 5246.6 | Murphy, Michael J.; Zenere, Katrina A.; Ragon, Florence; Southon, Peter D.; Kepert, Cameron J.; Neville, Suzanne M. Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material. Journal of the American Chemical Society, 2017, 139, 1330-1335 |
4125481 | CIF | C24 H16 Fe N12 O2 Pd | C 1 2/c 1 | 26.5335; 7.4453; 29.3511 90; 110.036; 90 | 5447.4 | Murphy, Michael J.; Zenere, Katrina A.; Ragon, Florence; Southon, Peter D.; Kepert, Cameron J.; Neville, Suzanne M. Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material. Journal of the American Chemical Society, 2017, 139, 1330-1335 |
4125482 | CIF | C324 H216 N40 Ru6 | R -3 | 30.4451; 30.4451; 96.083 90; 90; 120 | 77128 | Chakraborty, Sourav; Hong, Wei; Endres, Kevin J.; Xie, Ting-Zheng; Wojtas, Lukasz; Moorefield, Charles N.; Wesdemiotis, Chrys; Newkome, George R. Terpyridine-Based, Flexible Tripods: From a Highly Symmetric Nanosphere to Temperature-Dependent, Irreversible, 3D Isomeric Macromolecular Nanocages. Journal of the American Chemical Society, 2017, 139, 3012-3020 |
4125483 | CIF | C19 H20 N2 O2 | P 1 21/c 1 | 13.2314; 8.5991; 29.3542 90; 90.098; 90 | 3339.86 | Shi, Jiarong; Xu, Hai; Qiu, Dachuan; He, Jia; Li, Yang Selective Aryne Formation via Grob Fragmentation from the [2+2] Cycloadducts of 3-Triflyloxyarynes. Journal of the American Chemical Society, 2017, 139, 623-626 |
4125484 | CIF | C55 H60 O5 | P 32 2 1 | 25.4957; 25.4957; 6.2727 90; 90; 120 | 3531.2 | Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles. Journal of the American Chemical Society, 2017, 139, 3106-3114 |
4125485 | CIF | C21 H24 O3 | P 1 21/c 1 | 10.4271; 14.8854; 12.0952 90; 113.424; 90 | 1722.6 | Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles. Journal of the American Chemical Society, 2017, 139, 3106-3114 |
4125486 | CIF | C34 H32 O4 | C 1 c 1 | 36.947; 9.7771; 38.2483 90; 111.093; 90 | 12890.9 | Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles. Journal of the American Chemical Society, 2017, 139, 3106-3114 |
4125488 | CIF | C33 H45 B N2 O4 | P 1 21/c 1 | 12.1941; 17.2572; 16.8432 90; 107.324; 90 | 3383.63 | McFadden, Timothy R.; Fang, Cheng; Geib, Steven J.; Merling, Everett; Liu, Peng; Curran, Dennis P. Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate. Journal of the American Chemical Society, 2017, 139, 1726-1729 |
4125489 | CIF | C33 H45 B N2 O4 | P 1 21/c 1 | 11.681; 14.3215; 19.9387 90; 101.768; 90 | 3265.4 | McFadden, Timothy R.; Fang, Cheng; Geib, Steven J.; Merling, Everett; Liu, Peng; Curran, Dennis P. Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate. Journal of the American Chemical Society, 2017, 139, 1726-1729 |
4125490 | CIF | C27 H33 B N2 O4 | P 1 21/c 1 | 18.9996; 16.0499; 18.9296 90; 118.389; 90 | 5078.2 | McFadden, Timothy R.; Fang, Cheng; Geib, Steven J.; Merling, Everett; Liu, Peng; Curran, Dennis P. Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate. Journal of the American Chemical Society, 2017, 139, 1726-1729 |
4125491 | CIF | C15 H25 B N2 O4 | P 1 21/n 1 | 13.2934; 8.5248; 15.9325 90; 100.915; 90 | 1772.86 | McFadden, Timothy R.; Fang, Cheng; Geib, Steven J.; Merling, Everett; Liu, Peng; Curran, Dennis P. Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate. Journal of the American Chemical Society, 2017, 139, 1726-1729 |
4125492 | CIF | C9 H11 N2 O3 S | P b c a | 7.3996; 7.6266; 37.156 90; 90; 90 | 2096.9 | Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process. Journal of the American Chemical Society, 2017, 139, 1856-1862 |
4125493 | CIF | C9 H10 N O3 S | P b c a | 7.3346; 7.5087; 36.7164 90; 90; 90 | 2022.09 | Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process. Journal of the American Chemical Society, 2017, 139, 1856-1862 |
4125494 | CIF | C9 H9 N2 O5 S | P -1 | 5.4297; 9.1562; 10.8346 93.508; 97.284; 100.633 | 523.15 | Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process. Journal of the American Chemical Society, 2017, 139, 1856-1862 |
4125495 | CIF | C9 H10 N O4 S | P b c n | 11.1336; 15.7206; 11.0314 90; 90; 90 | 1930.8 | Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process. Journal of the American Chemical Society, 2017, 139, 1856-1862 |
4125496 | CIF | C28 H26 N2 O8 S2 | P -1 | 7.0851; 7.8518; 24.8513 95.667; 95.177; 93.368 | 1366.93 | Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process. Journal of the American Chemical Society, 2017, 139, 1856-1862 |
4125497 | CIF | C26 H28 N4 O6 S2 | P 1 21/n 1 | 17.462; 7.1855; 22.0942 90; 90.221; 90 | 2772.21 | Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process. Journal of the American Chemical Society, 2017, 139, 1856-1862 |
4125498 | CIF | C19 H20 N2 O3 S | P 1 2/c 1 | 11.036; 5.946; 27.498 90; 93.037; 90 | 1801.9 | Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process. Journal of the American Chemical Society, 2017, 139, 1856-1862 |
4125499 | CIF | C28 H32 N2 O8 S2 | C 1 2/c 1 | 21.814; 5.665; 23.078 90; 101.57; 90 | 2794 | Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process. Journal of the American Chemical Society, 2017, 139, 1856-1862 |
4125500 | CIF | C24 H26 N4 O6 S2 | P -1 | 6.8608; 7.4854; 12.4733 94.583; 100.837; 97.837 | 619.6 | Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process. Journal of the American Chemical Society, 2017, 139, 1856-1862 |
4125501 | CIF | C11 H13 N O3 S | P 1 21/n 1 | 9.6831; 6.95; 16.999 90; 98.873; 90 | 1130.3 | Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process. Journal of the American Chemical Society, 2017, 139, 1856-1862 |
4125502 | CIF | C13 H15 N3 O5 S | P 21 21 21 | 6.7115; 12.5511; 17.2878 90; 90; 90 | 1456.27 | Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process. Journal of the American Chemical Society, 2017, 139, 1856-1862 |
4125503 | CIF | C26 H16 N2 Pd | P 1 21/c 1 | 20.179; 7.3128; 24.983 90; 106.921; 90 | 3527 | Oeschger, Raphael J.; Chen, Peter Structure and Gas-Phase Thermochemistry of a Pd/Cu Complex: Studies on a Model for Transmetalation Transition States. Journal of the American Chemical Society, 2017, 139, 1069-1072 |
4125504 | CIF | C29 H23 B Br2 | C 1 2/c 1 | 14.577; 21.308; 7.6497 90; 93.398; 90 | 2371.9 | Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias Facile Route to Quadruply Annulated Borepins. Journal of the American Chemical Society, 2017, 139, 2842-2851 |
4125505 | CIF | C33 H23 B Br2 | P -1 | 8.5016; 10.3643; 14.9812 81.866; 85.884; 77.541 | 1274.8 | Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias Facile Route to Quadruply Annulated Borepins. Journal of the American Chemical Society, 2017, 139, 2842-2851 |
4125506 | CIF | C26 H17 B Br2 | P 1 21/c 1 | 18.4101; 13.605; 8.2544 90; 98.845; 90 | 2042.89 | Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias Facile Route to Quadruply Annulated Borepins. Journal of the American Chemical Society, 2017, 139, 2842-2851 |
4125507 | CIF | C30.5 H21.5 B Br2 Cl1.5 | P b c n | 29.3271; 8.3264; 20.8885 90; 90; 90 | 5100.75 | Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias Facile Route to Quadruply Annulated Borepins. Journal of the American Chemical Society, 2017, 139, 2842-2851 |
4125508 | CIF | C29 H23 B | P 1 21/n 1 | 15.526; 9.0436; 15.7165 90; 113.022; 90 | 2031 | Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias Facile Route to Quadruply Annulated Borepins. Journal of the American Chemical Society, 2017, 139, 2842-2851 |
4125509 | CIF | C36 H34 B | P -1 | 8.8813; 11.36; 13.4459 93.38; 97.697; 93.021 | 1339.5 | Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias Facile Route to Quadruply Annulated Borepins. Journal of the American Chemical Society, 2017, 139, 2842-2851 |
4125510 | CIF | C30 H40 Cl Mn N5 O11 | P 1 21/c 1 | 9.1273; 21.7763; 17.9055 90; 91.652; 90 | 3557.4 | Kenkel, Isabell; Franke, Alicja; Dürr, Maximilian; Zahl, Achim; Dücker-Benfer, Carlos; Langer, Jens; Filipović, Milos R; Yu, Meng; Puchta, Ralph; Fiedler, Stephanie R.; Shores, Matthew P.; Goldsmith, Christian R.; Ivanović-Burmazović, Ivana Switching between Inner- and Outer-Sphere PCET Mechanisms of Small-Molecule Activation: Superoxide Dismutation and Oxygen/Superoxide Reduction Reactivity Deriving from the Same Manganese Complex. Journal of the American Chemical Society, 2017, 139, 1472-1484 |
4125511 | CIF | C480 H582 Ag44.66 Au5.34 P12 S30 | P -1 | 25.878; 26.0327; 26.5129 61.613; 75.949; 61.416 | 13795.5 | Du, Wenjun; Jin, Shan; Xiong, Lin; Chen, Man; Zhang, Jun; Zou, Xuejuan; Pei, Yong; Wang, Shuxin; Zhu, Manzhou Ag50(Dppm)6(SR)30 and Its Homologue AuxAg50-x(Dppm)6(SR)30 Alloy Nanocluster: Seeded Growth, Structure Determination, and Differences in Properties. Journal of the American Chemical Society, 2017, 139, 1618-1624 |
4125512 | CIF | C480 H582 Ag50 P12 S30 | P -1 | 26.2512; 26.6936; 26.7376 76.576; 60.718; 61.726 | 14392.3 | Du, Wenjun; Jin, Shan; Xiong, Lin; Chen, Man; Zhang, Jun; Zou, Xuejuan; Pei, Yong; Wang, Shuxin; Zhu, Manzhou Ag50(Dppm)6(SR)30 and Its Homologue AuxAg50-x(Dppm)6(SR)30 Alloy Nanocluster: Seeded Growth, Structure Determination, and Differences in Properties. Journal of the American Chemical Society, 2017, 139, 1618-1624 |
4125513 | CIF | C26 H22 B2 N4 O4 | P -1 | 7.4283; 8.3837; 10.8769 95.785; 103.104; 114.473 | 585.8 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125514 | CIF | C14 H11 B Cl2 N2 O2 | P 1 21/c 1 | 13.0892; 13.9674; 8.3002 90; 96.4; 90 | 1508 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125515 | CIF | C26 H20 B2 Br2 N4 O4 | P -1 | 6.8541; 9.8549; 10.772 114.154; 93.533; 96.875 | 654.2 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125516 | CIF | C18 H15 B N2 O2 | P 1 21/n 1 | 9.3053; 12.7855; 13.0268 90; 90.721; 90 | 1549.7 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125517 | CIF | C18 H13 B Cl2 N2 O2 | P 1 21/c 1 | 10.5129; 12.6999; 13.1644 90; 99.026; 90 | 1735.85 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125518 | CIF | C34 H26 B2 N4 O4 | P -1 | 6.8485; 8.6631; 14.9105 104.365; 92.714; 97.449 | 846.82 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125519 | CIF | C21 H21 B N2 O2 | P 1 2/c 1 | 26.2971; 7.0717; 22.6474 90; 114.836; 90 | 3822.1 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125520 | CIF | C14 H12 B F N2 O2 | P 1 21/c 1 | 12.354; 8.628; 14.2421 90; 116.121; 90 | 1363 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125521 | CIF | C14 H10 B F3 N2 O2 | P 1 21/c 1 | 3.8701; 12.5606; 28.597 90; 93.811; 90 | 1387 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125522 | CIF | C18 H14 B Cl N2 O2 | P -1 | 8.0142; 9.9714; 11.2985 91.268; 109.233; 103.936 | 822.32 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125523 | CIF | C15 H15 B N2 O3 | P 1 21/n 1 | 10.1397; 12.3561; 12.7615 90; 110.316; 90 | 1499.39 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125524 | CIF | C15 H15 B N2 O2 S | P b c n | 24.7752; 13.4269; 27.4783 90; 90; 90 | 9140.8 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125525 | CIF | C17 H19 B N2 O2 | P 1 21/c 1 | 7.6712; 19.9377; 10.8372 90; 99.292; 90 | 1635.76 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125526 | CIF | C26 H20 B2 Cl2 N4 O4 | P -1 | 6.757; 9.7827; 10.5456 112.762; 94.006; 96.904 | 632.96 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125527 | CIF | C20 H16 B2 N4 O4 | P 1 2/c 1 | 8.9934; 15.8317; 7.2226 90; 90.808; 90 | 1028.26 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125528 | CIF | C18 H13 B Br2 N2 O2 | P 1 21/c 1 | 10.4157; 12.9098; 13.575 90; 97.56; 90 | 1809.5 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125529 | CIF | C14 H11 B F2 N2 O2 | P 1 21/c 1 | 6.7753; 24.5789; 9.48 90; 117.015; 90 | 1406.44 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125530 | CIF | C16 H15 Br O | P 21 21 21 | 5.2682; 13.5894; 18.7378 90; 90; 90 | 1341.47 | Wang, Yong; Wen, Xin; Cui, Xin; Wojtas, Lukasz; Zhang, X. Peter Asymmetric Radical Cyclopropanation of Alkenes with In Situ-Generated Donor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis. Journal of the American Chemical Society, 2017, 139, 1049-1052 |
4125531 | CIF | C84 H86 Cl4 Cr2 O4 P4 Rh2 | P 1 21/c 1 | 19.777; 16.145; 25.463 90; 104.312; 90 | 7878 | Kamikawa, Ken; Tseng, Ya-Yi; Jian, Jia-Hong; Takahashi, Tamotsu; Ogasawara, Masamichi Planar-Chiral Phosphine-Olefin Ligands Exploiting a (Cyclopentadienyl)manganese(I) Scaffold To Achieve High Robustness and High Enantioselectivity. Journal of the American Chemical Society, 2017, 139, 1545-1553 |
4125532 | CIF | C40 H38 Cr O2 P2 | P 21 21 21 | 8.189; 18.7027; 23.157 90; 90; 90 | 3546.6 | Kamikawa, Ken; Tseng, Ya-Yi; Jian, Jia-Hong; Takahashi, Tamotsu; Ogasawara, Masamichi Planar-Chiral Phosphine-Olefin Ligands Exploiting a (Cyclopentadienyl)manganese(I) Scaffold To Achieve High Robustness and High Enantioselectivity. Journal of the American Chemical Society, 2017, 139, 1545-1553 |
4125533 | CIF | C22 H25 N O3 | P 1 21/n 1 | 11.193; 7.1614; 23.653 90; 98.978; 90 | 1872.7 | Xiong, Peng; Xu, He-Huan; Xu, Hai-Chao Metal- and Reagent-Free Intramolecular Oxidative Amination of Tri- and Tetrasubstituted Alkenes. Journal of the American Chemical Society, 2017, 139, 2956-2959 |
4125535 | CIF | C148 H136 Cl12 | I 41/a | 18.9935; 18.9935; 50.612 90; 90; 90 | 18258.4 | Moneypenny, 2nd, Timothy P; Walter, Nathan P.; Cai, Zhikun; Miao, Yu-Run; Gray, Danielle L.; Hinman, Jordan J.; Lee, Semin; Zhang, Yang; Moore, Jeffrey S. Impact of Shape Persistence on the Porosity of Molecular Cages. Journal of the American Chemical Society, 2017, 139, 3259-3264 |
4125536 | CIF | C16 H35 N7 Ni O6 | P 43 | 13.407; 13.407; 24.102 90; 90; 90 | 4332.3 | Derrick, Jeffrey S.; Lee, Jiwan; Lee, Shin Jung C.; Kim, Yujeong; Nam, Eunju; Tak, Hyeonwoo; Kang, Juhye; Lee, Misun; Kim, Sun Hee; Park, Kiyoung; Cho, Jaeheung; Lim, Mi Hee Mechanistic Insights into Tunable Metal-Mediated Hydrolysis of Amyloid-β Peptides. Journal of the American Chemical Society, 2017, 139, 2234-2244 |
4125537 | CIF | C14 H32 Co N6 O6 | P n a 21 | 17.067; 12.9148; 8.7358 90; 90; 90 | 1925.52 | Derrick, Jeffrey S.; Lee, Jiwan; Lee, Shin Jung C.; Kim, Yujeong; Nam, Eunju; Tak, Hyeonwoo; Kang, Juhye; Lee, Misun; Kim, Sun Hee; Park, Kiyoung; Cho, Jaeheung; Lim, Mi Hee Mechanistic Insights into Tunable Metal-Mediated Hydrolysis of Amyloid-β Peptides. Journal of the American Chemical Society, 2017, 139, 2234-2244 |
4125538 | CIF | C22 H18 O | P -1 | 7.8523; 9.3906; 11.5779 77.261; 84.541; 71.939 | 791.35 | McAtee, Christopher C.; Riehl, Paul S.; Schindler, Corinna S. Polycyclic Aromatic Hydrocarbons via Iron(III)-Catalyzed Carbonyl-Olefin Metathesis. Journal of the American Chemical Society, 2017, 139, 2960-2963 |
4125539 | CIF | C24 H16 N2 O6 | P 21 21 21 | 6.75939; 10.99247; 27.3555 90; 90; 90 | 2032.58 | Raut, Vivek S.; Jean, Marion; Vanthuyne, Nicolas; Roussel, Christian; Constantieux, Thierry; Bressy, Cyril; Bugaut, Xavier; Bonne, Damien; Rodriguez, Jean Enantioselective Syntheses of Furan Atropisomers by an Oxidative Central-to-Axial Chirality Conversion Strategy. Journal of the American Chemical Society, 2017, 139, 2140-2143 |
4125540 | CIF | C19 H14 Br N O4 | P 31 | 18.09886; 18.09886; 13.84162 90; 90; 120 | 3926.63 | Raut, Vivek S.; Jean, Marion; Vanthuyne, Nicolas; Roussel, Christian; Constantieux, Thierry; Bressy, Cyril; Bugaut, Xavier; Bonne, Damien; Rodriguez, Jean Enantioselective Syntheses of Furan Atropisomers by an Oxidative Central-to-Axial Chirality Conversion Strategy. Journal of the American Chemical Society, 2017, 139, 2140-2143 |
4125541 | CIF | C19 H12 Br N O4 | P 1 21 1 | 9.95597; 7.08249; 11.73782 90; 94.2701; 90 | 825.372 | Raut, Vivek S.; Jean, Marion; Vanthuyne, Nicolas; Roussel, Christian; Constantieux, Thierry; Bressy, Cyril; Bugaut, Xavier; Bonne, Damien; Rodriguez, Jean Enantioselective Syntheses of Furan Atropisomers by an Oxidative Central-to-Axial Chirality Conversion Strategy. Journal of the American Chemical Society, 2017, 139, 2140-2143 |
4125542 | CIF | C18 H26 B2 F2 O4 | C 1 2/c 1 | 21.544; 7.164; 12.564 90; 98.611; 90 | 1917 | Shoji, Yoshiaki; Ikabata, Yasuhiro; Wang, Qi; Nemoto, Daisuke; Sakamoto, Atsushi; Tanaka, Naoki; Seino, Junji; Nakai, Hiromi; Fukushima, Takanori Unveiling a New Aspect of Simple Arylboronic Esters: Long-Lived Room-Temperature Phosphorescence from Heavy-Atom-Free Molecules. Journal of the American Chemical Society, 2017, 139, 2728-2733 |
4125543 | CIF | C10 H12 B2 O4 | P 1 21/c 1 | 12.799; 7.758; 10.736 90; 108.119; 90 | 1013.2 | Shoji, Yoshiaki; Ikabata, Yasuhiro; Wang, Qi; Nemoto, Daisuke; Sakamoto, Atsushi; Tanaka, Naoki; Seino, Junji; Nakai, Hiromi; Fukushima, Takanori Unveiling a New Aspect of Simple Arylboronic Esters: Long-Lived Room-Temperature Phosphorescence from Heavy-Atom-Free Molecules. Journal of the American Chemical Society, 2017, 139, 2728-2733 |
4125544 | CIF | C20 H32 B2 O4 | P 1 21/n 1 | 6.5342; 14.3432; 11.1367 90; 95.372; 90 | 1039.16 | Shoji, Yoshiaki; Ikabata, Yasuhiro; Wang, Qi; Nemoto, Daisuke; Sakamoto, Atsushi; Tanaka, Naoki; Seino, Junji; Nakai, Hiromi; Fukushima, Takanori Unveiling a New Aspect of Simple Arylboronic Esters: Long-Lived Room-Temperature Phosphorescence from Heavy-Atom-Free Molecules. Journal of the American Chemical Society, 2017, 139, 2728-2733 |
4125545 | CIF | C124 H116 N12 O12 | P 1 21 1 | 17.3782; 24.308; 29.6232 90; 100.01; 90 | 12323.2 | Šolomek, Tomáš; Powers-Riggs, Natalia E; Wu, Yi-Lin; Young, Ryan M.; Krzyaniak, Matthew D.; Horwitz, Noah E.; Wasielewski, Michael R. Electron Hopping and Charge Separation within a Naphthalene-1,4:5,8-bis(dicarboximide) Chiral Covalent Organic Cage. Journal of the American Chemical Society, 2017, 139, 3348-3351 |
4125546 | CIF | C120 H102 N16 O20 | C 2 2 21 | 17.0811; 33.4347; 21.6852 90; 90; 90 | 12384.4 | Šolomek, Tomáš; Powers-Riggs, Natalia E; Wu, Yi-Lin; Young, Ryan M.; Krzyaniak, Matthew D.; Horwitz, Noah E.; Wasielewski, Michael R. Electron Hopping and Charge Separation within a Naphthalene-1,4:5,8-bis(dicarboximide) Chiral Covalent Organic Cage. Journal of the American Chemical Society, 2017, 139, 3348-3351 |
4125547 | CIF | C116.95 H107.85 N12 O12 | P -1 | 18.6825; 24.9889; 26.0603 75.543; 77.656; 89.992 | 11490.5 | Šolomek, Tomáš; Powers-Riggs, Natalia E; Wu, Yi-Lin; Young, Ryan M.; Krzyaniak, Matthew D.; Horwitz, Noah E.; Wasielewski, Michael R. Electron Hopping and Charge Separation within a Naphthalene-1,4:5,8-bis(dicarboximide) Chiral Covalent Organic Cage. Journal of the American Chemical Society, 2017, 139, 3348-3351 |
4125548 | CIF | C106 H96 Co3 N14 O12 | P 1 21 1 | 12.489; 27.457; 14.1 90; 104.753; 90 | 4675.6 | Wu, Yilei; Krzyaniak, Matthew D.; Stoddart, J. Fraser; Wasielewski, Michael R. Spin Frustration in the Triradical Trianion of a Naphthalenediimide Molecular Triangle. Journal of the American Chemical Society, 2017, 139, 2948-2951 |
4125551 | CIF | C197.83 H311.84 B4 Fe4 K8 O9.96 P12 | P 1 21/c 1 | 18.8485; 41.389; 26.821 90; 99.494; 90 | 20637 | Deegan, Meaghan M.; Peters, Jonas C. CO Reduction to CH3OSiMe3: Electrophile-Promoted Hydride Migration at a Single Fe Site. Journal of the American Chemical Society, 2017, 139, 2561-2564 |
4125552 | CIF | C41 H64.03 B Fe K O2 P3 | P 1 21/n 1 | 14.965; 19.074; 16.191 90; 103.987; 90 | 4484.6 | Deegan, Meaghan M.; Peters, Jonas C. CO Reduction to CH3OSiMe3: Electrophile-Promoted Hydride Migration at a Single Fe Site. Journal of the American Chemical Society, 2017, 139, 2561-2564 |
4125553 | CIF | C53 H87 B Fe K O5 P3 | P 1 21/c 1 | 11.2309; 23.142; 20.143 90; 97.191; 90 | 5194.1 | Deegan, Meaghan M.; Peters, Jonas C. CO Reduction to CH3OSiMe3: Electrophile-Promoted Hydride Migration at a Single Fe Site. Journal of the American Chemical Society, 2017, 139, 2561-2564 |
4125554 | CIF | C37 H55 B Fe O P3 | P 1 21/c 1 | 10.9781; 15.8664; 20.543 90; 103.016; 90 | 3486.3 | Deegan, Meaghan M.; Peters, Jonas C. CO Reduction to CH3OSiMe3: Electrophile-Promoted Hydride Migration at a Single Fe Site. Journal of the American Chemical Society, 2017, 139, 2561-2564 |
4125555 | CIF | C41.31 H68.26 B Fe O1.32 P3 Si | P -1 | 10.9056; 11.3906; 20.2061 78.666; 78.736; 62.016 | 2157.9 | Deegan, Meaghan M.; Peters, Jonas C. CO Reduction to CH3OSiMe3: Electrophile-Promoted Hydride Migration at a Single Fe Site. Journal of the American Chemical Society, 2017, 139, 2561-2564 |
4125558 | CIF | C336 H144 La4 N12 Ni3 | C 1 2/m 1 | 25.597; 15.54; 27.911 90; 113.193; 90 | 10205 | Zhao, Shasha; Zhao, Pei; Cai, Wenting; Bao, Lipiao; Chen, Muqing; Xie, Yunpeng; Zhao, Xiang; Lu, Xing Stabilization of Giant Fullerenes C2(41)-C90, D3(85)-C92, C1(132)-C94, C2(157)-C96, and C1(175)-C98 by Encapsulation of a Large La2C2 Cluster: The Importance of Cluster-Cage Matching. Journal of the American Chemical Society, 2017, 139, 4724-4728 |
4125559 | CIF | C142 H54 Cl2 La2 N4 Ni | C 1 2/m 1 | 25.684; 14.9762; 21.4659 90; 97.945; 90 | 8177.6 | Zhao, Shasha; Zhao, Pei; Cai, Wenting; Bao, Lipiao; Chen, Muqing; Xie, Yunpeng; Zhao, Xiang; Lu, Xing Stabilization of Giant Fullerenes C2(41)-C90, D3(85)-C92, C1(132)-C94, C2(157)-C96, and C1(175)-C98 by Encapsulation of a Large La2C2 Cluster: The Importance of Cluster-Cage Matching. Journal of the American Chemical Society, 2017, 139, 4724-4728 |
4125560 | CIF | C35.5 H27 Cl3 F6 Ir N4 P S | P 1 21/c 1 | 14.4951; 13.7676; 18.7348 90; 106.359; 90 | 3587.4 | Ertl, Cathrin D.; Momblona, Cristina; Pertegás, Antonio; Junquera-Hernández, José M; La-Placa, Maria-Grazia; Prescimone, Alessandro; Ortí, Enrique; Housecroft, Catherine E.; Constable, Edwin C.; Bolink, Henk J. Highly Stable Red-Light-Emitting Electrochemical Cells. Journal of the American Chemical Society, 2017, 139, 3237-3248 |
4125561 | CIF | C27 H25 N5 O Pd | P 1 21/c 1 | 9.3852; 11.2499; 21.9773 90; 92.826; 90 | 2317.6 | Viart, Hélène M-F; Bachmann, Andreas; Kayitare, William; Sarpong, Richmond β-Carboline Amides as Intrinsic Directing Groups for C(sp(2))-H Functionalization. Journal of the American Chemical Society, 2017, 139, 1325-1329 |
4125562 | CIF | C60 H66 Si2 | P 1 21/n 1 | 8.3902; 21.3216; 13.1829 90; 91.952; 90 | 2357 | Jin, Zexin; Teo, Yew Chin; Zulaybar, Nicolo G.; Smith, Matthew D.; Xia, Yan Streamlined Synthesis of Polycyclic Conjugated Hydrocarbons Containing Cyclobutadienoids via C-H Activated Annulation and Aromatization. Journal of the American Chemical Society, 2017, 139, 1806-1809 |
4125563 | CIF | C34 H46 Cl2 N8 O7 S5 | P 1 21 1 | 9.1847; 26.7032; 9.8011 90; 92.742; 90 | 2401.07 | Cao, Jinlian; Yan, Xiaosheng; He, Wenbin; Li, Xiaorui; Li, Zhao; Mo, Yirong; Liu, Maili; Jiang, Yun-Bao C-I···π Halogen Bonding Driven Supramolecular Helix of Bilateral N-Amidothioureas Bearing β-Turns. Journal of the American Chemical Society, 2017, 139, 6605-6610 |
4125564 | CIF | C36 H28 I2 N8 O8 S6 | P 1 | 10.1456; 14.9723; 17.5828 65.938; 87.435; 88.087 | 2436 | Cao, Jinlian; Yan, Xiaosheng; He, Wenbin; Li, Xiaorui; Li, Zhao; Mo, Yirong; Liu, Maili; Jiang, Yun-Bao C-I···π Halogen Bonding Driven Supramolecular Helix of Bilateral N-Amidothioureas Bearing β-Turns. Journal of the American Chemical Society, 2017, 139, 6605-6610 |
4125565 | CIF | C12 H22 N2 Se | P 1 21/c 1 | 11.9413; 10.41973; 10.43 90; 98.2799; 90 | 1284.23 | Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S. A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit. Journal of the American Chemical Society, 2017, 139, 2296-2305 |
4125566 | CIF | C9 H18 N2 Se | P 1 21/n 1 | 6.2032; 9.9913; 17.2951 90; 92.004; 90 | 1071.26 | Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S. A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit. Journal of the American Chemical Society, 2017, 139, 2296-2305 |
4125567 | CIF | C13 H26 N2 Se | P 1 21/n 1 | 11.35852; 12.23104; 11.94506 90; 117.123; 90 | 1476.99 | Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S. A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit. Journal of the American Chemical Society, 2017, 139, 2296-2305 |
4125568 | CIF | C11 H22 N2 Se | P c a 21 | 11.934; 9.8566; 11.2837 90; 90; 90 | 1327.29 | Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S. A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit. Journal of the American Chemical Society, 2017, 139, 2296-2305 |
4125569 | CIF | C13 H22 N2 Se | P n a 21 | 10.16777; 13.46789; 10.1804 90; 90; 90 | 1394.09 | Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S. A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit. Journal of the American Chemical Society, 2017, 139, 2296-2305 |
4125570 | CIF | C9 H18 N2 Se | P 1 21/c 1 | 10.58561; 10.51744; 9.66073 90; 96.1599; 90 | 1069.35 | Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S. A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit. Journal of the American Chemical Society, 2017, 139, 2296-2305 |
4125571 | CIF | C11 H20 N2 Se | P b c a | 9.1761; 10.9659; 23.4534 90; 90; 90 | 2359.98 | Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S. A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit. Journal of the American Chemical Society, 2017, 139, 2296-2305 |
4125572 | CIF | C11 H22 N2 Se | P n a 21 | 20.94407; 9.68682; 6.187 90; 90; 90 | 1255.23 | Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S. A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit. Journal of the American Chemical Society, 2017, 139, 2296-2305 |
4125573 | CIF | C10 H20 N2 Se | P b c a | 11.4233; 10.80265; 18.95402 90; 90; 90 | 2338.96 | Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S. A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit. Journal of the American Chemical Society, 2017, 139, 2296-2305 |
4125574 | CIF | C15 H30 N2 Se | P n a 21 | 13.4556; 20.0405; 6.243 90; 90; 90 | 1683.5 | Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S. A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit. Journal of the American Chemical Society, 2017, 139, 2296-2305 |
4125575 | CIF | C9 H18 N2 Se | P 1 21/c 1 | 11.4123; 9.6891; 9.83 90; 95.698; 90 | 1081.58 | Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S. A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit. Journal of the American Chemical Society, 2017, 139, 2296-2305 |
4125576 | CIF | C5 H12 N2 Se | C 1 2/c 1 | 5.4557; 12.6064; 11.1113 90; 94.681; 90 | 761.65 | Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S. A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit. Journal of the American Chemical Society, 2017, 139, 2296-2305 |
4125577 | CIF | C16 H22 N2 Se | P 1 21/n 1 | 14.2487; 6.0376; 17.5143 90; 95.262; 90 | 1500.37 | Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S. A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit. Journal of the American Chemical Society, 2017, 139, 2296-2305 |
4125578 | CIF | C7 H16 N2 Se | P 1 21/n 1 | 6.22247; 10.03939; 15.0636 90; 100.345; 90 | 925.72 | Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S. A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit. Journal of the American Chemical Society, 2017, 139, 2296-2305 |
4125579 | CIF | C12 H22 N2 Se | P 1 21/c 1 | 24.2552; 9.97679; 10.9577 90; 102.715; 90 | 2586.62 | Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S. A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit. Journal of the American Chemical Society, 2017, 139, 2296-2305 |
4125580 | CIF | C24 H50 N2 Ni Si2 | P 1 21/c 1 | 13.8039; 10.8191; 19.1497 90; 105.025; 90 | 2762.15 | Palmer, W. Neil; Zarate, Cayetana; Chirik, Paul J. Benzyltriboronates: Building Blocks for Diastereoselective Carbon-Carbon Bond Formation. Journal of the American Chemical Society, 2017, 139, 2589-2592 |
4125581 | CIF | C32 H56 N4 Ni | P -1 | 10.3974; 11.1012; 15.5433 71.692; 80.489; 64.912 | 1541.49 | Palmer, W. Neil; Zarate, Cayetana; Chirik, Paul J. Benzyltriboronates: Building Blocks for Diastereoselective Carbon-Carbon Bond Formation. Journal of the American Chemical Society, 2017, 139, 2589-2592 |
4125582 | CIF | C25 H40 B2 O6 | P 1 21/c 1 | 10.7916; 12.1449; 19.7733 90; 91.615; 90 | 2590.5 | Palmer, W. Neil; Zarate, Cayetana; Chirik, Paul J. Benzyltriboronates: Building Blocks for Diastereoselective Carbon-Carbon Bond Formation. Journal of the American Chemical Society, 2017, 139, 2589-2592 |
4125583 | CIF | C32 H45 B2 F O6 | C 1 2/c 1 | 38.3946; 10.3577; 17.4348 90; 115.662; 90 | 6249.6 | Palmer, W. Neil; Zarate, Cayetana; Chirik, Paul J. Benzyltriboronates: Building Blocks for Diastereoselective Carbon-Carbon Bond Formation. Journal of the American Chemical Society, 2017, 139, 2589-2592 |
4125586 | CIF | C90 H111 Au B F24 P3 Pt | P -1 | 12.8836; 17.8107; 21.6813 95.049; 106.674; 95.903 | 4704.5 | Campos, Jesús Dihydrogen and Acetylene Activation by a Gold(I)/Platinum(0) Transition Metal Only Frustrated Lewis Pair. Journal of the American Chemical Society, 2017, 139, 2944-2947 |
4125587 | CIF | C64 H103 Au F6 N O4 P3 Pt S2 | C 1 c 1 | 17.7729; 18.5761; 22.1488 90; 103.537; 90 | 7109.3 | Campos, Jesús Dihydrogen and Acetylene Activation by a Gold(I)/Platinum(0) Transition Metal Only Frustrated Lewis Pair. Journal of the American Chemical Society, 2017, 139, 2944-2947 |
4125588 | CIF | C60 H99 Au F6 N O4 P3 Pt S2 | P 1 21/c 1 | 26.743; 12.8498; 20.3054 90; 107.367; 90 | 6659.7 | Campos, Jesús Dihydrogen and Acetylene Activation by a Gold(I)/Platinum(0) Transition Metal Only Frustrated Lewis Pair. Journal of the American Chemical Society, 2017, 139, 2944-2947 |
4125589 | CIF | C23 H26 N2 O Si | P 1 21 1 | 9.5002; 12.7386; 16.6006 90; 90.605; 90 | 2008.88 | Gribble, Jr, Michael W; Pirnot, Michael T.; Bandar, Jeffrey S.; Liu, Richard Y.; Buchwald, Stephen L. Asymmetric Copper Hydride-Catalyzed Markovnikov Hydrosilylation of Vinylarenes and Vinyl Heterocycles. Journal of the American Chemical Society, 2017, 139, 2192-2195 |
4125590 | CIF | C23 H29 B F4 O2 | R -3 | 27.2965; 27.2965; 16.2071 90; 90; 120 | 10458 | Lange, Ralph Z.; Hofer, Gregor; Weber, Thomas; Schlüter, A Dieter A Two-Dimensional Polymer Synthesized through Topochemical [2 + 2]-Cycloaddition on the Multigram Scale. Journal of the American Chemical Society, 2017, 139, 2053-2059 |
4125591 | CIF | C38 H24 | P -1 | 10.248; 15.0433; 16.9963 85.397; 82.509; 87.759 | 2588.4 | González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel Enantioselective Synthesis of [6]Carbohelicenes. Journal of the American Chemical Society, 2017, 139, 1428-1431 |
4125592 | CIF | C38 H24 | P -1 | 9.6273; 9.6571; 14.569 106.794; 91.195; 104.193 | 1251 | González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel Enantioselective Synthesis of [6]Carbohelicenes. Journal of the American Chemical Society, 2017, 139, 1428-1431 |
4125593 | CIF | C28 H20 | P 1 21/c 1 | 8.5356; 15.5623; 13.664 90; 98.38; 90 | 1795.7 | González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel Enantioselective Synthesis of [6]Carbohelicenes. Journal of the American Chemical Society, 2017, 139, 1428-1431 |
4125594 | CIF | C39 H57 F3 Fe N O3 P3 S Si | P 1 21/c 1 | 15.0339; 12.9751; 21.9518 90; 93.558; 90 | 4273.8 | Rittle, Jonathan; Peters, Jonas C. N-H Bond Dissociation Enthalpies and Facile H Atom Transfers for Early Intermediates of Fe-N2 and Fe-CN Reductions. Journal of the American Chemical Society, 2017, 139, 3161-3170 |
4125595 | CIF | C70.5 H71 B F24 Fe N O P3 Si | P -1 | 12.6721; 16.407; 19.169 106.503; 99.988; 100.24 | 3653 | Rittle, Jonathan; Peters, Jonas C. N-H Bond Dissociation Enthalpies and Facile H Atom Transfers for Early Intermediates of Fe-N2 and Fe-CN Reductions. Journal of the American Chemical Society, 2017, 139, 3161-3170 |
4125596 | CIF | C46 H72.07 F3 Fe N2 O5 P3 S Si | P 1 21/c 1 | 17.19; 17.7939; 16.5123 90; 97.288; 90 | 5009.9 | Rittle, Jonathan; Peters, Jonas C. N-H Bond Dissociation Enthalpies and Facile H Atom Transfers for Early Intermediates of Fe-N2 and Fe-CN Reductions. Journal of the American Chemical Society, 2017, 139, 3161-3170 |
4125597 | CIF | C38 H57 Fe N P3 Si | P -1 | 10.53; 10.877; 18.902 74.62; 88.11; 61.95 | 1831.5 | Rittle, Jonathan; Peters, Jonas C. N-H Bond Dissociation Enthalpies and Facile H Atom Transfers for Early Intermediates of Fe-N2 and Fe-CN Reductions. Journal of the American Chemical Society, 2017, 139, 3161-3170 |
4125598 | CIF | C70 H69.64 B F24 Fe N P3 Si | P -1 | 12.9953; 14.3232; 20.006 88.513; 73.783; 87.956 | 3572.9 | Rittle, Jonathan; Peters, Jonas C. N-H Bond Dissociation Enthalpies and Facile H Atom Transfers for Early Intermediates of Fe-N2 and Fe-CN Reductions. Journal of the American Chemical Society, 2017, 139, 3161-3170 |
4125599 | CIF | C130 H165 O20 | P 1 21/n 1 | 13.5; 20.6046; 43.205 90; 96.475; 90 | 11941.3 | Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Bonakala, Satyanarayana; Chong, Samantha Y.; Stephenson, Andrew; Chen, Linjiang; Huang, Feihe; Cooper, Andrew I. Styrene Purification by Guest-Induced Restructuring of Pillar[6]arene. Journal of the American Chemical Society, 2017, 139, 2908-2911 |
4125600 | CIF | C76 H70 F12 N6 P2 Ru | P c a 21 | 17.6487; 20.6724; 18.2635 90; 90; 90 | 6663.3 | Van Raden, Jeff M.; Louie, Shayan; Zakharov, Lev N.; Jasti, Ramesh 2,2'-Bipyridyl-Embedded Cycloparaphenylenes as a General Strategy To Investigate Nanohoop-Based Coordination Complexes. Journal of the American Chemical Society, 2017, 139, 2936-2939 |
4125608 | CIF | C81 H114 F3 K N6 O35 S | P -1 | 9.1272; 21.5044; 23.2601 88.205; 88.653; 88.317 | 4560 | Schneider, Susanne; Licsandru, Erol-Dan; Kocsis, Istvan; Gilles, Arnaud; Dumitru, Florina; Moulin, Emilie; Tan, Junjun; Lehn, Jean-Marie; Giuseppone, Nicolas; Barboiu, Mihail Columnar Self-Assemblies of Triarylamines as Scaffolds for Artificial Biomimetic Channels for Ion and for Water Transport. Journal of the American Chemical Society, 2017, 139, 3721-3727 |
4125609 | CIF | C24 H22 N2 O4 | P c c a | 17.719; 12.4759; 9.2314 90; 90; 90 | 2040.7 | Schneider, Susanne; Licsandru, Erol-Dan; Kocsis, Istvan; Gilles, Arnaud; Dumitru, Florina; Moulin, Emilie; Tan, Junjun; Lehn, Jean-Marie; Giuseppone, Nicolas; Barboiu, Mihail Columnar Self-Assemblies of Triarylamines as Scaffolds for Artificial Biomimetic Channels for Ion and for Water Transport. Journal of the American Chemical Society, 2017, 139, 3721-3727 |
4125610 | CIF | C38 H76 N2 O27 | P 1 21/c 1 | 24.6495; 8.8435; 32.1542 90; 130.301; 90 | 5345.6 | Schneider, Susanne; Licsandru, Erol-Dan; Kocsis, Istvan; Gilles, Arnaud; Dumitru, Florina; Moulin, Emilie; Tan, Junjun; Lehn, Jean-Marie; Giuseppone, Nicolas; Barboiu, Mihail Columnar Self-Assemblies of Triarylamines as Scaffolds for Artificial Biomimetic Channels for Ion and for Water Transport. Journal of the American Chemical Society, 2017, 139, 3721-3727 |
4125616 | CIF | C19 H26 O4 | P -1 | 6.3632; 10.611; 13.3887 68.504; 83.023; 76.485 | 817.19 | Reiher, Christopher A.; Shenvi, Ryan A. Stereocontrolled Synthesis of Kalihinol C. Journal of the American Chemical Society, 2017, 139, 3647-3650 |
4125618 | CIF | C39 H53 Co F6 N3 O6.5 P2 S2 | I 1 2/a 1 | 19.614; 10.4389; 42.807 90; 99.657; 90 | 8640 | Roy, Souvik; Sharma, Bhaskar; Pécaut, Jacques; Simon, Philippe; Fontecave, Marc; Tran, Phong D.; Derat, Etienne; Artero, Vincent Molecular Cobalt Complexes with Pendant Amines for Selective Electrocatalytic Reduction of Carbon Dioxide to Formic Acid. Journal of the American Chemical Society, 2017, 139, 3685-3696 |
4125619 | CIF | C39 H40 Co F6 N3 O6 P2 S2 | C 1 2/c 1 | 35.56; 11.5161; 21.158 90; 102.477; 90 | 8459.8 | Roy, Souvik; Sharma, Bhaskar; Pécaut, Jacques; Simon, Philippe; Fontecave, Marc; Tran, Phong D.; Derat, Etienne; Artero, Vincent Molecular Cobalt Complexes with Pendant Amines for Selective Electrocatalytic Reduction of Carbon Dioxide to Formic Acid. Journal of the American Chemical Society, 2017, 139, 3685-3696 |
4125620 | CIF | C35.38 H33.77 Cl0.77 Co F6 N2 O6 P2 S2 | P -1 | 9.1042; 10.6408; 20.646 100.465; 94.427; 94.263 | 1952.98 | Roy, Souvik; Sharma, Bhaskar; Pécaut, Jacques; Simon, Philippe; Fontecave, Marc; Tran, Phong D.; Derat, Etienne; Artero, Vincent Molecular Cobalt Complexes with Pendant Amines for Selective Electrocatalytic Reduction of Carbon Dioxide to Formic Acid. Journal of the American Chemical Society, 2017, 139, 3685-3696 |
4125621 | CIF | C39 H51 Co F6 N4 O6 P2 S2 | P -1 | 11.0634; 11.8443; 18.1779 100.479; 103.371; 102.291 | 2196.38 | Roy, Souvik; Sharma, Bhaskar; Pécaut, Jacques; Simon, Philippe; Fontecave, Marc; Tran, Phong D.; Derat, Etienne; Artero, Vincent Molecular Cobalt Complexes with Pendant Amines for Selective Electrocatalytic Reduction of Carbon Dioxide to Formic Acid. Journal of the American Chemical Society, 2017, 139, 3685-3696 |
4125622 | CIF | C16 H16 O | C 1 c 1 | 13.92506; 7.62053; 22.4351 90; 90.4854; 90 | 2380.65 | Corrie, Tom J. A.; Ball, Liam T.; Russell, Christopher A.; Lloyd-Jones, Guy C Au-Catalyzed Biaryl Coupling To Generate 5- to 9-Membered Rings: Turnover-Limiting Reductive Elimination versus π-Complexation. Journal of the American Chemical Society, 2017, 139, 245-254 |
4125623 | CIF | C15 H14 O | P b c a | 7.69025; 13.54657; 20.9417 90; 90; 90 | 2181.63 | Corrie, Tom J. A.; Ball, Liam T.; Russell, Christopher A.; Lloyd-Jones, Guy C Au-Catalyzed Biaryl Coupling To Generate 5- to 9-Membered Rings: Turnover-Limiting Reductive Elimination versus π-Complexation. Journal of the American Chemical Society, 2017, 139, 245-254 |
4125624 | CIF | C20 H24 Fe N4 O2 | R 3 c :H | 26.6275; 26.6275; 14.9233 90; 90; 120 | 9163.4 | Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng {Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical. Journal of the American Chemical Society, 2017, 139, 67-70 |
4125625 | CIF | C24 H32 Fe N4 O2 | P n m a | 8.3711; 17.0618; 18.6672 90; 90; 90 | 2666.2 | Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng {Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical. Journal of the American Chemical Society, 2017, 139, 67-70 |
4125626 | CIF | C28 H40 Fe N4 O2 | P n a m | 12.478; 10.528; 21.296 90; 90; 90 | 2797.6 | Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng {Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical. Journal of the American Chemical Society, 2017, 139, 67-70 |
4125627 | CIF | C20 H24 B F4 Fe N4 O2 | P c a 21 | 15.3013; 10.7723; 14.3639 90; 90; 90 | 2367.6 | Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng {Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical. Journal of the American Chemical Society, 2017, 139, 67-70 |
4125628 | CIF | C28 H40 B F4 Fe N4 O2 | P 1 21/c 1 | 11.2452; 16.1669; 17.9585 90; 105.802; 90 | 3141.5 | Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng {Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical. Journal of the American Chemical Society, 2017, 139, 67-70 |
4125629 | CIF | C20 H24 B F4 Fe N5 O3 | P b c a | 18.1138; 12.4841; 21.1588 90; 90; 90 | 4784.7 | Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng {Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical. Journal of the American Chemical Society, 2017, 139, 67-70 |
4125630 | CIF | C24 H32 B F4 Fe N5 O3 | P 21 21 21 | 10.9335; 12.7302; 19.1398 90; 90; 90 | 2664 | Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng {Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical. Journal of the American Chemical Society, 2017, 139, 67-70 |
4125631 | CIF | C300 H197.26 Ag38 F52 P8 S26 | P -1 | 21.64; 21.86; 22.426 65.37; 61.48; 84.84 | 8393.86 | Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes. Journal of the American Chemical Society, 2017, 139, 31-34 |
4125632 | CIF | C54 H48 B Cu F20 N4 | P 1 21/n 1 | 11.4059; 31.7761; 15.3471 90; 111.604; 90 | 5171.58 | Adam, Suzanne M.; Garcia-Bosch, Isaac; Schaefer, Andrew W.; Sharma, Savita K.; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D. Critical Aspects of Heme-Peroxo-Cu Complex Structure and Nature of Proton Source Dictate Metal-Operoxo Breakage versus Reductive O-O Cleavage Chemistry. Journal of the American Chemical Society, 2017, 139, 472-481 |
4125633 | CIF | C40 H20 F8 I4 N2 | P 1 21/c 1 | 4.2433; 20.178; 20.83 90; 94.852; 90 | 1777.1 | Bai, Linyi; Bose, Purnandhu; Gao, Qiang; Li, Yongxin; Ganguly, Rakesh; Zhao, Yanli Halogen-Assisted Piezochromic Supramolecular Assemblies for Versatile Haptic Memory. Journal of the American Chemical Society, 2017, 139, 436-441 |
4125634 | CIF | C34 H20 F4 I2 N2 | P -1 | 8.111; 10.142; 10.582 116.789; 105.997; 92.452 | 732.7 | Bai, Linyi; Bose, Purnandhu; Gao, Qiang; Li, Yongxin; Ganguly, Rakesh; Zhao, Yanli Halogen-Assisted Piezochromic Supramolecular Assemblies for Versatile Haptic Memory. Journal of the American Chemical Society, 2017, 139, 436-441 |
4125635 | CIF | C16 H31 F6 Fe N3 O P S2 | P 1 21/c 1 | 12.355; 15.307; 14.802 90; 123.147; 90 | 2343.8 | Villar-Acevedo, Gloria; Lugo-Mas, Priscilla; Blakely, Maike N.; Rees, Julian A.; Ganas, Abbie S.; Hanada, Erin M.; Kaminsky, Werner; Kovacs, Julie A. Metal-Assisted Oxo Atom Addition to an Fe(III) Thiolate. Journal of the American Chemical Society, 2017, 139, 119-129 |
4125636 | CIF | C464 H168 F192 Fe8 N136 Ni6 O64 S32 | P 4/n | 39.8773; 39.8773; 27.4426 90; 90; 90 | 43639.2 | Brenner, Wolfgang; Ronson, Tanya K.; Nitschke, Jonathan R. Separation and Selective Formation of Fullerene Adducts within an M(II)8L6 Cage. Journal of the American Chemical Society, 2017, 139, 75-78 |
4125637 | CIF | C30 H38 O5 | P 1 | 6.369; 14.0432; 15.4534 68.518; 89.229; 77.501 | 1252.37 | Ding, Wei; Lu, Liang-Qiu; Zhou, Quan-Quan; Wei, Yi; Chen, Jia-Rong; Xiao, Wen-Jing Bifunctional Photocatalysts for Enantioselective Aerobic Oxidation of β-Ketoesters. Journal of the American Chemical Society, 2017, 139, 63-66 |
4125638 | CIF | C119 H145 F3 Ir2 N2 O7 P2 S | P 1 21 1 | 13.965; 28.537; 14.7 90; 109.25; 90 | 5531 | Li, Mao-Lin; Yang, Shuang; Su, Xun-Cheng; Wu, Hui-Ling; Yang, Liang-Liang; Zhu, Shou-Fei; Zhou, Qi-Lin Mechanism Studies of Ir-Catalyzed Asymmetric Hydrogenation of Unsaturated Carboxylic Acids. Journal of the American Chemical Society, 2017, 139, 541-547 |
4125639 | CIF | C109 H146 F3 Ir2 N2 O9 P2 S | P 21 21 21 | 17.6216; 18.3846; 32.285 90; 90; 90 | 10459.2 | Li, Mao-Lin; Yang, Shuang; Su, Xun-Cheng; Wu, Hui-Ling; Yang, Liang-Liang; Zhu, Shou-Fei; Zhou, Qi-Lin Mechanism Studies of Ir-Catalyzed Asymmetric Hydrogenation of Unsaturated Carboxylic Acids. Journal of the American Chemical Society, 2017, 139, 541-547 |
4125640 | CIF | C20 H25 B O3 S | P 1 21 1 | 10.818; 14.5; 12.569 90; 102.765; 90 | 1922.9 | Lovinger, Gabriel J.; Aparece, Mark D.; Morken, James P. Pd-Catalyzed Conjunctive Cross-Coupling between Grignard-Derived Boron "Ate" Complexes and C(sp(2)) Halides or Triflates: NaOTf as a Grignard Activator and Halide Scavenger. Journal of the American Chemical Society, 2017, 139, 3153-3160 |
4125641 | CIF | C20 H18 B F4 N O | P 21 21 21 | 7.5778; 25.9067; 36.526 90; 90; 90 | 7170.6 | Sevov, Christo S.; Hickey, David P.; Cook, Monique E.; Robinson, Sophia G.; Barnett, Shoshanna; Minteer, Shelley D.; Sigman, Matthew S.; Sanford, Melanie S. Physical Organic Approach to Persistent, Cyclable, Low-Potential Electrolytes for Flow Battery Applications. Journal of the American Chemical Society, 2017, 139, 2924-2927 |
4125642 | CIF | C62 H52 O P2 S12 V | C 1 2/c 1 | 29.6889; 14.9613; 14.8859 90; 115.211; 90 | 5982.3 | Graham, Michael J.; Yu, Chung-Jui; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Freedman, Danna E. Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence. Journal of the American Chemical Society, 2017, 139, 3196-3201 |
4125643 | CIF | C13 H10 O2 | P b c a | 15.009; 13.965; 19.47 90; 90; 90 | 4081 | Sagadevan, Arunachalam; Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Hwang, Kuo Chu Visible Light Copper Photoredox-Catalyzed Aerobic Oxidative Coupling of Phenols and Terminal Alkynes: Regioselective Synthesis of Functionalized Ketones via C≡C Triple Bond Cleavage. Journal of the American Chemical Society, 2017, 139, 2896-2899 |
4125644 | CIF | C14 H8 N O2 | C 1 2/c 1 | 11.08; 27.686; 9.526 90; 96.376; 90 | 2904 | Sagadevan, Arunachalam; Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Hwang, Kuo Chu Visible Light Copper Photoredox-Catalyzed Aerobic Oxidative Coupling of Phenols and Terminal Alkynes: Regioselective Synthesis of Functionalized Ketones via C≡C Triple Bond Cleavage. Journal of the American Chemical Society, 2017, 139, 2896-2899 |
4125645 | CIF | C30 H28 O4 | P -1 | 11.7566; 11.9481; 18.921 78.101; 84.064; 64.72 | 2351.3 | Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles. Journal of the American Chemical Society, 2017, 139, 3106-3114 |
4125646 | CIF | C30 H28 Cl2 O4 | P -1 | 6.7057; 10.4349; 10.471 115.281; 101.865; 93.508 | 639.11 | Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles. Journal of the American Chemical Society, 2017, 139, 3106-3114 |
4125647 | CIF | C148 H160 Cl12 | R -3 :H | 25.0005; 25.0005; 48.793 90; 90; 120 | 26411 | Moneypenny, 2nd, Timothy P; Walter, Nathan P.; Cai, Zhikun; Miao, Yu-Run; Gray, Danielle L.; Hinman, Jordan J.; Lee, Semin; Zhang, Yang; Moore, Jeffrey S. Impact of Shape Persistence on the Porosity of Molecular Cages. Journal of the American Chemical Society, 2017, 139, 3259-3264 |
4125648 | CIF | C144 H132 Br12 | C 1 2/c 1 | 43.8917; 20.3623; 25.1357 90; 121.486; 90 | 19157.2 | Moneypenny, 2nd, Timothy P; Walter, Nathan P.; Cai, Zhikun; Miao, Yu-Run; Gray, Danielle L.; Hinman, Jordan J.; Lee, Semin; Zhang, Yang; Moore, Jeffrey S. Impact of Shape Persistence on the Porosity of Molecular Cages. Journal of the American Chemical Society, 2017, 139, 3259-3264 |
4125649 | CIF | C18 H15 F3 O | P 1 21/n 1 | 7.8837; 12.6022; 14.4974 90; 95.238; 90 | 1434.33 | McAtee, Christopher C.; Riehl, Paul S.; Schindler, Corinna S. Polycyclic Aromatic Hydrocarbons via Iron(III)-Catalyzed Carbonyl-Olefin Metathesis. Journal of the American Chemical Society, 2017, 139, 2960-2963 |
4125650 | CIF | C24 H18 | P b c a | 13.92565; 6.76441; 16.55751 90; 90; 90 | 1559.7 | McAtee, Christopher C.; Riehl, Paul S.; Schindler, Corinna S. Polycyclic Aromatic Hydrocarbons via Iron(III)-Catalyzed Carbonyl-Olefin Metathesis. Journal of the American Chemical Society, 2017, 139, 2960-2963 |
4125651 | CIF | C38 H30 O2 | P 1 21/n 1 | 10.62617; 19.11003; 13.49063 90; 90.5435; 90 | 2739.37 | McAtee, Christopher C.; Riehl, Paul S.; Schindler, Corinna S. Polycyclic Aromatic Hydrocarbons via Iron(III)-Catalyzed Carbonyl-Olefin Metathesis. Journal of the American Chemical Society, 2017, 139, 2960-2963 |
4125652 | CIF | C37.86 H46.78 I2 N6.93 O6 Se2 | P 1 21/c 1 | 22.6944; 21.4972; 9.4414 90; 99.847; 90 | 4538.3 | Lim, Jason Y. C.; Marques, Igor; Thompson, Amber L.; Christensen, Kirsten E.; Félix, Vítor; Beer, Paul D. Chalcogen Bonding Macrocycles and [2]Rotaxanes for Anion Recognition. Journal of the American Chemical Society, 2017, 139, 3122-3133 |
4125653 | CIF | C35 H26 Cl2 F6 Ir N4 O P | P 1 21/n 1 | 14.6181; 13.8956; 16.9244 90; 107.448; 90 | 3279.6 | Ertl, Cathrin D.; Momblona, Cristina; Pertegás, Antonio; Junquera-Hernández, José M; La-Placa, Maria-Grazia; Prescimone, Alessandro; Ortí, Enrique; Housecroft, Catherine E.; Constable, Edwin C.; Bolink, Henk J. Highly Stable Red-Light-Emitting Electrochemical Cells. Journal of the American Chemical Society, 2017, 139, 3237-3248 |
4125654 | CIF | C34 H24 F6 Ir N6 P S2 | F d d 2 | 12.2991; 13.34; 40.35 90; 90; 90 | 6620.2 | Ertl, Cathrin D.; Momblona, Cristina; Pertegás, Antonio; Junquera-Hernández, José M; La-Placa, Maria-Grazia; Prescimone, Alessandro; Ortí, Enrique; Housecroft, Catherine E.; Constable, Edwin C.; Bolink, Henk J. Highly Stable Red-Light-Emitting Electrochemical Cells. Journal of the American Chemical Society, 2017, 139, 3237-3248 |
4125655 | CIF | C31 H38 | P -1 | 11.3612; 15.0007; 15.3112 99.798; 93.975; 94.8 | 2553.05 | Yang, Sanghee; Shin, Suyong; Choi, Inho; Lee, Jaeho; Choi, Tae-Lim Direct Formation of Large-Area 2D Nanosheets from Fluorescent Semiconducting Homopolymer with Orthorhombic Crystalline Orientation. Journal of the American Chemical Society, 2017, 139, 3082-3088 |
4125656 | CIF | C75 H102 O15 | P 1 2/n 1 | 12.5845; 22.7005; 14.5054 90; 114.146; 90 | 3781.3 | Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Bonakala, Satyanarayana; Chong, Samantha Y.; Stephenson, Andrew; Chen, Linjiang; Huang, Feihe; Cooper, Andrew I. Styrene Purification by Guest-Induced Restructuring of Pillar[6]arene. Journal of the American Chemical Society, 2017, 139, 2908-2911 |
4125657 | CIF | C37 H46 O6 | P -1 | 10.7372; 11.7516; 13.541 95.142; 94.75; 102.165 | 1654.4 | Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Bonakala, Satyanarayana; Chong, Samantha Y.; Stephenson, Andrew; Chen, Linjiang; Huang, Feihe; Cooper, Andrew I. Styrene Purification by Guest-Induced Restructuring of Pillar[6]arene. Journal of the American Chemical Society, 2017, 139, 2908-2911 |
4125658 | CIF | C74 H94 O12 | P 1 21/n 1 | 11.612; 12.9629; 22.2541 90; 91.391; 90 | 3348.8 | Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Bonakala, Satyanarayana; Chong, Samantha Y.; Stephenson, Andrew; Chen, Linjiang; Huang, Feihe; Cooper, Andrew I. Styrene Purification by Guest-Induced Restructuring of Pillar[6]arene. Journal of the American Chemical Society, 2017, 139, 2908-2911 |
4125659 | CIF | C63 H86 O12 | P -1 | 11.9397; 21.1861; 23.6062 89.286; 87.831; 81.84 | 5906.5 | Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Bonakala, Satyanarayana; Chong, Samantha Y.; Stephenson, Andrew; Chen, Linjiang; Huang, Feihe; Cooper, Andrew I. Styrene Purification by Guest-Induced Restructuring of Pillar[6]arene. Journal of the American Chemical Society, 2017, 139, 2908-2911 |
4125660 | CIF | C112 H102 B2 F8 N4 O5 Pd | P -1 | 13.4593; 24.9166; 30.9993 79.836; 87.531; 74.592 | 9864.9 | Van Raden, Jeff M.; Louie, Shayan; Zakharov, Lev N.; Jasti, Ramesh 2,2'-Bipyridyl-Embedded Cycloparaphenylenes as a General Strategy To Investigate Nanohoop-Based Coordination Complexes. Journal of the American Chemical Society, 2017, 139, 2936-2939 |
4125661 | CIF | C22 H34 O4 | P 1 21 1 | 11.229; 6.209; 14.14 90; 113.29; 90 | 906 | Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione. Journal of the American Chemical Society, 2017, 139, 2932-2935 |
4125662 | CIF | C23 H32 Cl2 O4 | P 21 21 21 | 7.4292; 12.851; 23.312 90; 90; 90 | 2225.7 | Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione. Journal of the American Chemical Society, 2017, 139, 2932-2935 |
4125663 | CIF | C22 H30 O4 | P -1 | 7.7145; 9.0116; 14.7861 84.679; 80.262; 67.698 | 936.87 | Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione. Journal of the American Chemical Society, 2017, 139, 2932-2935 |
4125664 | CIF | C20 H24 O4 | P 1 21 1 | 6.1968; 17.198; 8.2164 90; 109.494; 90 | 825.4 | Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione. Journal of the American Chemical Society, 2017, 139, 2932-2935 |
4125665 | CIF | C22 H30 O4 | P c a 21 | 20.323; 7.6843; 23.998 90; 90; 90 | 3747.7 | Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione. Journal of the American Chemical Society, 2017, 139, 2932-2935 |
4125666 | CIF | C62 H111 Cl0.5 I1.5 N34 O35.5 | P c c n | 26.455; 25.742; 13.1609 90; 90; 90 | 8962.6 | Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids. Journal of the American Chemical Society, 2017, 139, 3249-3258 |
4125667 | CIF | C68 H124 I2 N30 O33 | P b c a | 24.202; 31.566; 42.811 90; 90; 90 | 32706 | Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids. Journal of the American Chemical Society, 2017, 139, 3249-3258 |
4125668 | CIF | C55 H110.5 I N29 O36.25 | P c a 21 | 35.943; 13.474; 33.885 90; 90; 90 | 16410 | Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids. Journal of the American Chemical Society, 2017, 139, 3249-3258 |
4125669 | CIF | C165 H311.5 I5 N87 Na2 O98.75 | I 2 3 | 38.267; 38.267; 38.267 90; 90; 90 | 56037 | Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids. Journal of the American Chemical Society, 2017, 139, 3249-3258 |
4125670 | CIF | C66 H138 I2 N34 O45 | P -1 | 14.128; 15.305; 22.851 78.395; 82.588; 77.521 | 4707 | Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids. Journal of the American Chemical Society, 2017, 139, 3249-3258 |
4125671 | CIF | C59 H93 I N29 O25.5 | I 4/m | 28.832; 28.832; 18.2998 90; 90; 90 | 15212.3 | Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids. Journal of the American Chemical Society, 2017, 139, 3249-3258 |
4125672 | CIF | C154 H150 N17 O47 Tb9 | P 6/m m m | 22.677; 22.677; 17.973 90; 90; 120 | 8004.3 | Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net. Journal of the American Chemical Society, 2017, 139, 3265-3274 |
4125673 | CIF | C160 H136 F2 N4 O38 Tb6 | P 1 2/m 1 | 19.985; 17.414; 20.09 90; 115.567; 90 | 6307.1 | Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net. Journal of the American Chemical Society, 2017, 139, 3265-3274 |
4125674 | CIF | C160 H136 F2 N4 O38 Y6 | P 1 2/m 1 | 18.998; 17.5118; 19.567 90; 115.009; 90 | 5899.4 | Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net. Journal of the American Chemical Society, 2017, 139, 3265-3274 |
4125675 | CIF | C154 H148 Cl3 Fe3 N17 O47 Y9 | P 6/m m m | 23.041; 23.041; 17.576 90; 90; 120 | 8080.8 | Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net. Journal of the American Chemical Society, 2017, 139, 3265-3274 |
4125676 | CIF | C154 H150 N17 O47 Y9 | P 6/m m m | 22.689; 22.689; 17.861 90; 90; 120 | 7963 | Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net. Journal of the American Chemical Society, 2017, 139, 3265-3274 |
4125677 | CIF | C68.75 H49.58 In3 N0.58 O21.33 | P 6/m | 39.039; 39.039; 24.901 90; 90; 120 | 32866 | Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net. Journal of the American Chemical Society, 2017, 139, 3265-3274 |
4125678 | CIF | C154 H154 N17 O50 Y9 Zn3 | P 6/m m m | 22.779; 22.779; 17.808 90; 90; 120 | 8002.3 | Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net. Journal of the American Chemical Society, 2017, 139, 3265-3274 |
4125679 | CIF | C132 H90 Cu6 O36 | P 6/m c c | 24.0888; 24.0888; 23.9689 90; 90; 120 | 12045.1 | Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net. Journal of the American Chemical Society, 2017, 139, 3265-3274 |
4125680 | CIF | C352 H316 N24 Ni24 O124 | C 1 2/m 1 | 24.1524; 40.1868; 23.7972 90; 118.944; 90 | 20212.7 | Zhang, Chen; Patil, Rahul S.; Liu, Chong; Barnes, Charles L.; Atwood, Jerry L. Controlled 2D Assembly of Nickel-Seamed Hexameric Pyrogallol[4]arene Nanocapsules. Journal of the American Chemical Society, 2017, 139, 2920-2923 |
4125681 | CIF | C246 H204 N2 Ni24 O138 | P -3 | 37.979; 37.979; 22.4734 90; 90; 120 | 28072.8 | Zhang, Chen; Patil, Rahul S.; Liu, Chong; Barnes, Charles L.; Atwood, Jerry L. Controlled 2D Assembly of Nickel-Seamed Hexameric Pyrogallol[4]arene Nanocapsules. Journal of the American Chemical Society, 2017, 139, 2920-2923 |
4125682 | CIF | C10 H10 O2 S | P 1 21/c 1 | 5.93; 7.2867; 20.9055 90; 90.331; 90 | 903.31 | Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226 |
4125683 | CIF | C23 H27 F2 N O2 S | P 1 21 1 | 5.4305; 14.9364; 12.9201 90; 91.931; 90 | 1047.38 | Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226 |
4125684 | CIF | C12 H22 N2 O3 | P 1 21/c 1 | 13.4547; 8.861; 11.071 90; 93.662; 90 | 1317.21 | Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226 |
4125685 | CIF | C11 H10 F2 O2 S | P 21 21 21 | 6.7986; 11.0791; 13.905 90; 90; 90 | 1047.36 | Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226 |
4125686 | CIF | C18 H19 F2 N O2 S | P -1 | 5.5183; 12.654; 12.84 81.396; 81.489; 77.545 | 859.4 | Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226 |
4125687 | CIF | C22 H26 F2 N2 O2 S | P 1 21 1 | 9.5438; 5.9781; 35.8879 90; 90.349; 90 | 2047.5 | Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226 |
4125688 | CIF | C20 H21 F2 N O2 S | C 1 2 1 | 63.0604; 6.0203; 9.4894 90; 98.123; 90 | 3566.44 | Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226 |
4125689 | CIF | C12 H11 F3 O2 S | P 1 | 7.9193; 8.1426; 10.5945 104.903; 109.324; 99.177 | 600.17 | Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226 |
4125690 | CIF | C27 H33 B N2 O4 | P c a 21 | 20.4678; 7.5827; 32.8729 90; 90; 90 | 5101.9 | McFadden, Timothy R.; Fang, Cheng; Geib, Steven J.; Merling, Everett; Liu, Peng; Curran, Dennis P. Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate. Journal of the American Chemical Society, 2017, 139, 1726-1729 |
4125691 | CIF | C15 H15 N3 Ni O5 | P 1 n 1 | 6.2528; 12.5234; 10.2768 90; 91.269; 90 | 804.54 | Nandi, Shyamapada; Collins, Sean; Chakraborty, Debanjan; Banerjee, Debasis; Thallapally, Praveen K.; Woo, Tom K.; Vaidhyanathan, Ramanathan Ultralow Parasitic Energy for Postcombustion CO2 Capture Realized in a Nickel Isonicotinate Metal-Organic Framework with Excellent Moisture Stability. Journal of the American Chemical Society, 2017, 139, 1734-1737 |
4125692 | CIF | C7 H8 S | P 1 21/c 1 | 7.742; 7.223; 5.956 90; 92.953; 90 | 332.6 | Forbes, Christina R.; Sinha, Sudipta K.; Ganguly, Himal K.; Bai, Shi; Yap, Glenn P. A.; Patel, Sandeep; Zondlo, Neal J. Insights into Thiol-Aromatic Interactions: A Stereoelectronic Basis for S-H/π Interactions. Journal of the American Chemical Society, 2017, 139, 1842-1855 |
4125693 | CIF | C68 H60 Cl F6 N O2 Os P4 | P -1 | 13.3911; 14.404; 17.522 94.495; 94.496; 101.582 | 3285.37 | Luo, Ming; Long, Lipeng; Zhang, Hong; Yang, Yuhui; Hua, Yuhui; Liu, Gang; Lin, Zhenyang; Xia, Haiping Reactions of Isocyanides with Metal Carbyne Complexes: Isolation and Characterization of Metallacyclopropenimine Intermediates. Journal of the American Chemical Society, 2017, 139, 1822-1825 |
4125694 | CIF | C72 H60 Cl2 N O4 Os P3 S | P 1 21/n 1 | 21.9542; 17.4974; 22.3684 90; 119.343; 90 | 7490.2 | Luo, Ming; Long, Lipeng; Zhang, Hong; Yang, Yuhui; Hua, Yuhui; Liu, Gang; Lin, Zhenyang; Xia, Haiping Reactions of Isocyanides with Metal Carbyne Complexes: Isolation and Characterization of Metallacyclopropenimine Intermediates. Journal of the American Chemical Society, 2017, 139, 1822-1825 |
4125695 | CIF | C70.4 H62.8 B Cl1.8 F4 N O2 Os P3 | P 1 21/c 1 | 23.7295; 13.9429; 20.7926 90; 108.662; 90 | 6517.7 | Luo, Ming; Long, Lipeng; Zhang, Hong; Yang, Yuhui; Hua, Yuhui; Liu, Gang; Lin, Zhenyang; Xia, Haiping Reactions of Isocyanides with Metal Carbyne Complexes: Isolation and Characterization of Metallacyclopropenimine Intermediates. Journal of the American Chemical Society, 2017, 139, 1822-1825 |
4125696 | CIF | C67 H73 Cl4 N3 O3 Os P2 | P -1 | 11.6666; 12.6271; 22.2623 93.498; 98.272; 108.058 | 3066.1 | Luo, Ming; Long, Lipeng; Zhang, Hong; Yang, Yuhui; Hua, Yuhui; Liu, Gang; Lin, Zhenyang; Xia, Haiping Reactions of Isocyanides with Metal Carbyne Complexes: Isolation and Characterization of Metallacyclopropenimine Intermediates. Journal of the American Chemical Society, 2017, 139, 1822-1825 |
4125697 | CIF | C6 H4 Br2 | P 1 21/n 1 | 4.035; 5.763; 14.35 90; 97.21; 90 | 331.1 | Saha, Subhankar; Desiraju, Gautam R. Crystal Engineering of Hand-Twisted Helical Crystals. Journal of the American Chemical Society, 2017, 139, 1975-1983 |
4125698 | CIF | C13 H7 Cl2 F O2 | P 1 21 1 | 11.962; 3.883; 13.154 90; 104.983; 90 | 590.2 | Saha, Subhankar; Desiraju, Gautam R. Crystal Engineering of Hand-Twisted Helical Crystals. Journal of the American Chemical Society, 2017, 139, 1975-1983 |
4125699 | CIF | C13 H8 Br Cl O2 | P 1 21/n 1 | 15.465; 3.935; 19.66 90; 90.31; 90 | 1196 | Saha, Subhankar; Desiraju, Gautam R. Crystal Engineering of Hand-Twisted Helical Crystals. Journal of the American Chemical Society, 2017, 139, 1975-1983 |
4125700 | CIF | C13 H8 Br Cl O2 | P 1 21/c 1 | 24.903; 6.092; 7.799 90; 98.59; 90 | 1169.9 | Saha, Subhankar; Desiraju, Gautam R. Crystal Engineering of Hand-Twisted Helical Crystals. Journal of the American Chemical Society, 2017, 139, 1975-1983 |
4125701 | CIF | C13 H8 Br Cl O2 | P 1 21/n 1 | 15.327; 3.927; 19.608 90; 90.909; 90 | 1180 | Saha, Subhankar; Desiraju, Gautam R. Crystal Engineering of Hand-Twisted Helical Crystals. Journal of the American Chemical Society, 2017, 139, 1975-1983 |
4125702 | CIF | C13 H7 Cl3 O2 | P 1 21/n 1 | 16.492; 3.855; 19.83 90; 98.666; 90 | 1246 | Saha, Subhankar; Desiraju, Gautam R. Crystal Engineering of Hand-Twisted Helical Crystals. Journal of the American Chemical Society, 2017, 139, 1975-1983 |
4125703 | CIF | C13 H8 I N O4 | P 21 21 21 | 3.9952; 11.784; 27.285 90; 90; 90 | 1284.6 | Saha, Subhankar; Desiraju, Gautam R. Crystal Engineering of Hand-Twisted Helical Crystals. Journal of the American Chemical Society, 2017, 139, 1975-1983 |
4125704 | CIF | C14 H10 I N O4 | P 21 21 21 | 3.9824; 12.681; 27.238 90; 90; 90 | 1375.5 | Saha, Subhankar; Desiraju, Gautam R. Crystal Engineering of Hand-Twisted Helical Crystals. Journal of the American Chemical Society, 2017, 139, 1975-1983 |
4125705 | CIF | C13 H8 Br N O4 | P 21 21 21 | 3.845; 11.65; 27.482 90; 90; 90 | 1231 | Saha, Subhankar; Desiraju, Gautam R. Crystal Engineering of Hand-Twisted Helical Crystals. Journal of the American Chemical Society, 2017, 139, 1975-1983 |
4125706 | CIF | C13 H8 Cl N O4 | P 21 21 21 | 3.798; 11.703; 27.12 90; 90; 90 | 1205.4 | Saha, Subhankar; Desiraju, Gautam R. Crystal Engineering of Hand-Twisted Helical Crystals. Journal of the American Chemical Society, 2017, 139, 1975-1983 |
4125707 | CIF | C14 H10 Br N O4 | P 21 21 21 | 3.843; 12.597; 27.201 90; 90; 90 | 1316.8 | Saha, Subhankar; Desiraju, Gautam R. Crystal Engineering of Hand-Twisted Helical Crystals. Journal of the American Chemical Society, 2017, 139, 1975-1983 |
4125708 | CIF | C14 H9 Br F N O4 | P 21 21 21 | 3.878; 12.317; 28.6 90; 90; 90 | 1366 | Saha, Subhankar; Desiraju, Gautam R. Crystal Engineering of Hand-Twisted Helical Crystals. Journal of the American Chemical Society, 2017, 139, 1975-1983 |
4125709 | CIF | C13 H9 Br O2 | P 1 21/c 1 | 13.74; 11.042; 7.666 90; 101.125; 90 | 1141 | Saha, Subhankar; Desiraju, Gautam R. Crystal Engineering of Hand-Twisted Helical Crystals. Journal of the American Chemical Society, 2017, 139, 1975-1983 |
4125710 | CIF | C13 H8 Cl I O2 | P 1 21/c 1 | 14.896; 11.086; 7.596 90; 97.57; 90 | 1243.4 | Saha, Subhankar; Desiraju, Gautam R. Crystal Engineering of Hand-Twisted Helical Crystals. Journal of the American Chemical Society, 2017, 139, 1975-1983 |
4125711 | CIF | C14 H9 Cl O3 | P 1 21/n 1 | 15.862; 3.822; 19.238 90; 91.965; 90 | 1165.6 | Saha, Subhankar; Desiraju, Gautam R. Crystal Engineering of Hand-Twisted Helical Crystals. Journal of the American Chemical Society, 2017, 139, 1975-1983 |
4125712 | CIF | C23 H28.16 B F4 O1.75 | R -3 | 27.0338; 27.0338; 16.1483 90; 90; 120 | 10220.5 | Lange, Ralph Z.; Hofer, Gregor; Weber, Thomas; Schlüter, A Dieter A Two-Dimensional Polymer Synthesized through Topochemical [2 + 2]-Cycloaddition on the Multigram Scale. Journal of the American Chemical Society, 2017, 139, 2053-2059 |
4125713 | CIF | C25 H52 Co N4 Si4 | P -1 | 8.8549; 10.1984; 20.531 81.077; 86.856; 66.166 | 1675.4 | Liu, Yang; Deng, Liang Mode of Activation of Cobalt(II) Amides for Catalytic Hydrosilylation of Alkenes with Tertiary Silanes. Journal of the American Chemical Society, 2017, 139, 1798-1801 |
4125714 | CIF | C33 H54 Co N3 Si2 | P 1 21/n 1 | 12.7758; 13.6376; 21.6312 90; 105.942; 90 | 3623.9 | Liu, Yang; Deng, Liang Mode of Activation of Cobalt(II) Amides for Catalytic Hydrosilylation of Alkenes with Tertiary Silanes. Journal of the American Chemical Society, 2017, 139, 1798-1801 |
4125715 | CIF | C33 H43 Co N2 | P 1 21/n 1 | 10.2475; 20.416; 14.107 90; 99.064; 90 | 2914.5 | Liu, Yang; Deng, Liang Mode of Activation of Cobalt(II) Amides for Catalytic Hydrosilylation of Alkenes with Tertiary Silanes. Journal of the American Chemical Society, 2017, 139, 1798-1801 |
4125716 | CIF | C8 H8 Pd S8 | P 1 21/n 1 | 17.846; 4.728; 18.465 90; 111.556; 90 | 1449 | Kato, Reizo; Cui, HengBo; Tsumuraya, Takao; Miyazaki, Tsuyoshi; Suzumura, Yoshikazu Emergence of the Dirac Electron System in a Single-Component Molecular Conductor under High Pressure. Journal of the American Chemical Society, 2017, 139, 1770-1773 |
4125717 | CIF | C31 H30 Br N O2 | P 21 21 21 | 11.6613; 11.813; 24.565 90; 90; 90 | 3384 | Zhang, Lei; Zhang, Jian; Ma, Ji; Cheng, Dao-Juan; Tan, Bin Highly Atroposelective Synthesis of Arylpyrroles by Catalytic Asymmetric Paal-Knorr Reaction. Journal of the American Chemical Society, 2017, 139, 1714-1717 |
4125718 | CIF | C8 H3 N4 O3 S4 | P 1 21/n 1 | 3.4719; 30.764; 11.0663 90; 90.2099; 90 | 1182 | Mailman, Aaron; Wong, Joanne W. L.; Winter, Stephen M.; Claridge, Robert C. M.; Robertson, Craig M.; Assoud, Abdeljalil; Yong, Wenjun; Steven, Eden; Dube, Paul A.; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Oakley, Richard T. Fine Tuning the Performance of Multiorbital Radical Conductors by Substituent Effects. Journal of the American Chemical Society, 2017, 139, 1625-1635 |
4125719 | CIF | C6.75 H1.25 N3.25 O3 S4 | C 1 2/c 1 | 25.0506; 23.9588; 14.9339 90; 117.778; 90 | 7930.13 | Mailman, Aaron; Wong, Joanne W. L.; Winter, Stephen M.; Claridge, Robert C. M.; Robertson, Craig M.; Assoud, Abdeljalil; Yong, Wenjun; Steven, Eden; Dube, Paul A.; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Oakley, Richard T. Fine Tuning the Performance of Multiorbital Radical Conductors by Substituent Effects. Journal of the American Chemical Society, 2017, 139, 1625-1635 |
4125720 | CIF | C7 H13 B I2 O2 | P 1 21/n 1 | 6.8628; 19.7443; 9.1054 90; 111.017; 90 | 1151.71 | Benoit, Guillaume; Charette, André B Diastereoselective Borocyclopropanation of Allylic Ethers Using a Boromethylzinc Carbenoid. Journal of the American Chemical Society, 2017, 139, 1364-1367 |
4125721 | CIF | C22 H37 B O3 Si | P 1 21/n 1 | 6.6124; 11.5841; 30.0883 90; 92.3994; 90 | 2302.7 | Benoit, Guillaume; Charette, André B Diastereoselective Borocyclopropanation of Allylic Ethers Using a Boromethylzinc Carbenoid. Journal of the American Chemical Society, 2017, 139, 1364-1367 |
4125722 | CIF | C252 H258 N30 O21 Zn6 | R 3 :H | 43.652; 43.652; 11.4512 90; 90; 120 | 18896.9 | Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong Chiral NH-Controlled Supramolecular Metallacycles. Journal of the American Chemical Society, 2017, 139, 1554-1564 |
4125723 | CIF | C228 H255 N24 O18 Zn6 | R 3 :H | 43.9623; 43.9623; 11.3572 90; 90; 120 | 19009.2 | Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong Chiral NH-Controlled Supramolecular Metallacycles. Journal of the American Chemical Society, 2017, 139, 1554-1564 |
4125724 | CIF | C252 H258 N24 O24 Zn6 | R 3 :H | 43.6574; 43.6574; 11.5213 90; 90; 120 | 19017.3 | Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong Chiral NH-Controlled Supramolecular Metallacycles. Journal of the American Chemical Society, 2017, 139, 1554-1564 |
4125725 | CIF | C234 H258 N24 O18 Zn6 | R 3 :H | 43.7244; 43.7244; 11.683 90; 90; 120 | 19343.4 | Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong Chiral NH-Controlled Supramolecular Metallacycles. Journal of the American Chemical Society, 2017, 139, 1554-1564 |
4125726 | CIF | C28 H33 Cl Mn N5 O6.5 | P -1 | 9.5946; 16.4468; 18.9308 98.641; 104.363; 90.039 | 2858.82 | Kenkel, Isabell; Franke, Alicja; Dürr, Maximilian; Zahl, Achim; Dücker-Benfer, Carlos; Langer, Jens; Filipović, Milos R; Yu, Meng; Puchta, Ralph; Fiedler, Stephanie R.; Shores, Matthew P.; Goldsmith, Christian R.; Ivanović-Burmazović, Ivana Switching between Inner- and Outer-Sphere PCET Mechanisms of Small-Molecule Activation: Superoxide Dismutation and Oxygen/Superoxide Reduction Reactivity Deriving from the Same Manganese Complex. Journal of the American Chemical Society, 2017, 139, 1472-1484 |
4125727 | CIF | C39 H37 Mn O2 P2 | P 1 | 10.322; 13.409; 13.848 106.575; 108.044; 95.5983 | 1709.9 | Kamikawa, Ken; Tseng, Ya-Yi; Jian, Jia-Hong; Takahashi, Tamotsu; Ogasawara, Masamichi Planar-Chiral Phosphine-Olefin Ligands Exploiting a (Cyclopentadienyl)manganese(I) Scaffold To Achieve High Robustness and High Enantioselectivity. Journal of the American Chemical Society, 2017, 139, 1545-1553 |
4125728 | CIF | C80 H57 Cl5 Mn2 O4 P4 Rh2 | P -1 | 15.724; 15.989; 17.291 88.888; 75.797; 65.447 | 3816.4 | Kamikawa, Ken; Tseng, Ya-Yi; Jian, Jia-Hong; Takahashi, Tamotsu; Ogasawara, Masamichi Planar-Chiral Phosphine-Olefin Ligands Exploiting a (Cyclopentadienyl)manganese(I) Scaffold To Achieve High Robustness and High Enantioselectivity. Journal of the American Chemical Society, 2017, 139, 1545-1553 |
4125729 | CIF | C10 H15 N O3 | P 21 21 21 | 6.7401; 11.1362; 13.6362 90; 90; 90 | 1023.52 | Smalley, Adam P.; Cuthbertson, James D.; Gaunt, Matthew J. Palladium-Catalyzed Enantioselective C-H Activation of Aliphatic Amines Using Chiral Anionic BINOL-Phosphoric Acid Ligands. Journal of the American Chemical Society, 2017, 139, 1412-1415 |
4125730 | CIF | Fe Ga O3 | R 3 c :H | 5.01871; 5.01871; 13.5879 90; 90; 120 | 296.392 | Niu, Hongjun; Pitcher, Michael J.; Corkett, Alex J.; Ling, Sanliang; Mandal, Pranab; Zanella, Marco; Dawson, Karl; Stamenov, Plamen; Batuk, Dmitry; Abakumov, Artem M.; Bull, Craig L.; Smith, Ronald I.; Murray, Claire A.; Day, Sarah J.; Slater, Ben; Cora, Furio; Claridge, John B.; Rosseinsky, Matthew J. Room Temperature Magnetically Ordered Polar Corundum GaFeO3 Displaying Magnetoelectric Coupling. Journal of the American Chemical Society, 2017, 139, 1520-1531 |
4125731 | CIF | C52.5 H55.5 Au Cl4 F6 N2 O4 P Sb | C 1 2 1 | 23.42; 10.569; 22.221 90; 91.868; 90 | 5497.4 | González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel Enantioselective Synthesis of [6]Carbohelicenes. Journal of the American Chemical Society, 2017, 139, 1428-1431 |
4125732 | CIF | C28 H20 | C 1 2/c 1 | 18.4625; 14.204; 7.6031 90; 108.652; 90 | 1889.13 | González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel Enantioselective Synthesis of [6]Carbohelicenes. Journal of the American Chemical Society, 2017, 139, 1428-1431 |
4125733 | CIF | C69.5 H63 Au Cl4 F6 N2 O4 P Sb | P 21 21 21 | 10.75; 24.403; 25.635 90; 90; 90 | 6725 | González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel Enantioselective Synthesis of [6]Carbohelicenes. Journal of the American Chemical Society, 2017, 139, 1428-1431 |
4125734 | CIF | C55.5 H49 Au Cl2 F18 N2 O4 P Sb | P 1 | 10.983; 11.4243; 13.3626 66.668; 83.965; 88.252 | 1530.9 | González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel Enantioselective Synthesis of [6]Carbohelicenes. Journal of the American Chemical Society, 2017, 139, 1428-1431 |
4125735 | CIF | C51 H52 F6 N2 O4 P Sb | P 1 21 1 | 11.7711; 18.123; 12.1515 90; 113.687; 90 | 2373.9 | González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel Enantioselective Synthesis of [6]Carbohelicenes. Journal of the American Chemical Society, 2017, 139, 1428-1431 |
4125736 | CIF | C138 H108 N6 O18 | R -3 :H | 34.402; 34.402; 18.748 90; 90; 120 | 19216 | Chen, Wei; Chen, Chi-Lin; Zhang, Zhiyun; Chen, Yi-An; Chao, Wei-Chih; Su, Jianhua; Tian, He; Chou, Pi-Tai Snapshotting the Excited-State Planarization of Chemically Locked N,N'-Disubstituted Dihydrodibenzo[a,c]phenazines. Journal of the American Chemical Society, 2017, 139, 1636-1644 |
4125737 | CIF | C42.5 H33 Cl N2 O2 | C 1 2/c 1 | 32.3784; 9.7018; 20.6093 90; 93.171; 90 | 6464.1 | Chen, Wei; Chen, Chi-Lin; Zhang, Zhiyun; Chen, Yi-An; Chao, Wei-Chih; Su, Jianhua; Tian, He; Chou, Pi-Tai Snapshotting the Excited-State Planarization of Chemically Locked N,N'-Disubstituted Dihydrodibenzo[a,c]phenazines. Journal of the American Chemical Society, 2017, 139, 1636-1644 |
4125738 | CIF | C49 H42 Cl2 N2 O6 | P -1 | 9.1275; 12.7976; 18.3106 88.7303; 77.583; 74.5428 | 2011.87 | Chen, Wei; Chen, Chi-Lin; Zhang, Zhiyun; Chen, Yi-An; Chao, Wei-Chih; Su, Jianhua; Tian, He; Chou, Pi-Tai Snapshotting the Excited-State Planarization of Chemically Locked N,N'-Disubstituted Dihydrodibenzo[a,c]phenazines. Journal of the American Chemical Society, 2017, 139, 1636-1644 |
4125739 | CIF | C57 H58 Cl2 N2 O6 | P -1 | 9.4122; 10.5185; 24.5962 97.5528; 90.645; 102.097 | 2358.46 | Chen, Wei; Chen, Chi-Lin; Zhang, Zhiyun; Chen, Yi-An; Chao, Wei-Chih; Su, Jianhua; Tian, He; Chou, Pi-Tai Snapshotting the Excited-State Planarization of Chemically Locked N,N'-Disubstituted Dihydrodibenzo[a,c]phenazines. Journal of the American Chemical Society, 2017, 139, 1636-1644 |
4125740 | CIF | C16 H19 N O | P 21 21 21 | 9.3923; 10.7073; 12.7975 90; 90; 90 | 1287 | Kumarasamy, Elango; Raghunathan, Ramya; Kandappa, Sunil Kumar; Sreenithya, A.; Jockusch, Steffen; Sunoj, Raghavan B.; Sivaguru, J. Transposed Paternò-Büchi Reaction. Journal of the American Chemical Society, 2017, 139, 655-662 |
4125741 | CIF | C16 H19 N O | P 21 21 21 | 9.3935; 10.7059; 12.8032 90; 90; 90 | 1287.56 | Kumarasamy, Elango; Raghunathan, Ramya; Kandappa, Sunil Kumar; Sreenithya, A.; Jockusch, Steffen; Sunoj, Raghavan B.; Sivaguru, J. Transposed Paternò-Büchi Reaction. Journal of the American Chemical Society, 2017, 139, 655-662 |
4125742 | CIF | C17 H21 N O | P 21 21 21 | 8.5255; 12.7647; 13.2058 90; 90; 90 | 1437.13 | Kumarasamy, Elango; Raghunathan, Ramya; Kandappa, Sunil Kumar; Sreenithya, A.; Jockusch, Steffen; Sunoj, Raghavan B.; Sivaguru, J. Transposed Paternò-Büchi Reaction. Journal of the American Chemical Society, 2017, 139, 655-662 |
4125743 | CIF | C17 H21 N O | P 21 21 21 | 8.5245; 12.7658; 13.2061 90; 90; 90 | 1437.12 | Kumarasamy, Elango; Raghunathan, Ramya; Kandappa, Sunil Kumar; Sreenithya, A.; Jockusch, Steffen; Sunoj, Raghavan B.; Sivaguru, J. Transposed Paternò-Büchi Reaction. Journal of the American Chemical Society, 2017, 139, 655-662 |
4125744 | CIF | C19 H20 O4 | P c a 21 | 16.3242; 6.3756; 28.92 90; 90; 90 | 3009.9 | Schuppe, Alexander W.; Newhouse, Timothy R. Assembly of the Limonoid Architecture by a Divergent Approach: Total Synthesis of (±)-Andirolide N via (±)-8α-Hydroxycarapin. Journal of the American Chemical Society, 2017, 139, 631-634 |
4125745 | CIF | C22 H30 O5 Si | P 1 21/n 1 | 9.9985; 8.5859; 25.1456 90; 93.281; 90 | 2155.1 | Schuppe, Alexander W.; Newhouse, Timothy R. Assembly of the Limonoid Architecture by a Divergent Approach: Total Synthesis of (±)-Andirolide N via (±)-8α-Hydroxycarapin. Journal of the American Chemical Society, 2017, 139, 631-634 |
4125746 | CIF | C44 H34 N2 O4 | C 1 2/c 1 | 22.34; 16.695; 8.3236 90; 103.833; 90 | 3014.4 | Margulies, Eric A.; Logsdon, Jenna L.; Miller, Claire E.; Ma, Lin; Simonoff, Ethan; Young, Ryan M.; Schatz, George C.; Wasielewski, Michael R. Direct Observation of a Charge-Transfer State Preceding High-Yield Singlet Fission in Terrylenediimide Thin Films. Journal of the American Chemical Society, 2017, 139, 663-671 |
4125747 | CIF | C74 H62 N2 O4 | C 1 2/c 1 | 36.0857; 4.8422; 32.6994 90; 111.586; 90 | 5313 | Margulies, Eric A.; Logsdon, Jenna L.; Miller, Claire E.; Ma, Lin; Simonoff, Ethan; Young, Ryan M.; Schatz, George C.; Wasielewski, Michael R. Direct Observation of a Charge-Transfer State Preceding High-Yield Singlet Fission in Terrylenediimide Thin Films. Journal of the American Chemical Society, 2017, 139, 663-671 |
4125748 | CIF | C27 H27 Br N2 | P 1 21/c 1 | 13.4442; 7.1664; 24.537 90; 100.806; 90 | 2322.1 | Catalano, Luca; Perez-Estrada, Salvador; Wang, Hsin-Hua; Ayitou, Anoklase J.-L.; Khan, Saeed I.; Terraneo, Giancarlo; Metrangolo, Pierangelo; Brown, Stuart; Garcia-Garibay, Miguel A Rotational Dynamics of Diazabicyclo[2.2.2]octane in Isomorphous Halogen-Bonded Co-crystals: Entropic and Enthalpic Effects. Journal of the American Chemical Society, 2017, 139, 843-848 |
4125749 | CIF | C27 H27 Br N2 | P 1 21/c 1 | 13.1901; 7.1685; 24.018 90; 101.202; 90 | 2227.7 | Catalano, Luca; Perez-Estrada, Salvador; Wang, Hsin-Hua; Ayitou, Anoklase J.-L.; Khan, Saeed I.; Terraneo, Giancarlo; Metrangolo, Pierangelo; Brown, Stuart; Garcia-Garibay, Miguel A Rotational Dynamics of Diazabicyclo[2.2.2]octane in Isomorphous Halogen-Bonded Co-crystals: Entropic and Enthalpic Effects. Journal of the American Chemical Society, 2017, 139, 843-848 |
4125750 | CIF | C27 H27 I N2 | P 1 21/c 1 | 13.3106; 7.0791; 24.375 90; 100.278; 90 | 2259.9 | Catalano, Luca; Perez-Estrada, Salvador; Wang, Hsin-Hua; Ayitou, Anoklase J.-L.; Khan, Saeed I.; Terraneo, Giancarlo; Metrangolo, Pierangelo; Brown, Stuart; Garcia-Garibay, Miguel A Rotational Dynamics of Diazabicyclo[2.2.2]octane in Isomorphous Halogen-Bonded Co-crystals: Entropic and Enthalpic Effects. Journal of the American Chemical Society, 2017, 139, 843-848 |
4125751 | CIF | C18 H19 N3 O4 | P 1 21 1 | 10.736; 7.55; 20.7875 90; 93.636; 90 | 1681.58 | Shi, Jiarong; Xu, Hai; Qiu, Dachuan; He, Jia; Li, Yang Selective Aryne Formation via Grob Fragmentation from the [2+2] Cycloadducts of 3-Triflyloxyarynes. Journal of the American Chemical Society, 2017, 139, 623-626 |
4125752 | CIF | C8 H8 B N3 O2 | P 1 21/n 1 | 6.7872; 11.6855; 10.8557 90; 102.759; 90 | 839.73 | Bandyopadhyay, Anupam; Cambray, Samantha; Gao, Jianmin Fast Diazaborine Formation of Semicarbazide Enables Facile Labeling of Bacterial Pathogens. Journal of the American Chemical Society, 2017, 139, 871-878 |
4125753 | CIF | C26 H21 F3 N4 O5 Pd S | P 1 21/c 1 | 13.1494; 12.7371; 31.5681 90; 101.788; 90 | 5175.7 | Abada, Elikplim; Zavalij, Peter Y.; Vedernikov, Andrei N. Reductive C(sp(2))-N Elimination from Isolated Pd(IV) Amido Aryl Complexes Prepared Using H2O2 as Oxidant. Journal of the American Chemical Society, 2017, 139, 643-646 |
4125754 | CIF | C28 H29 N3 O6 Pd S | C 1 2/c 1 | 30.3195; 11.3339; 17.6574 90; 118.758; 90 | 5319.4 | Abada, Elikplim; Zavalij, Peter Y.; Vedernikov, Andrei N. Reductive C(sp(2))-N Elimination from Isolated Pd(IV) Amido Aryl Complexes Prepared Using H2O2 as Oxidant. Journal of the American Chemical Society, 2017, 139, 643-646 |
4125755 | CIF | C26 H20 F3 N3 O3 Pd | P 1 21/c 1 | 11.4454; 12.0069; 17.7137 90; 97.0875; 90 | 2415.7 | Abada, Elikplim; Zavalij, Peter Y.; Vedernikov, Andrei N. Reductive C(sp(2))-N Elimination from Isolated Pd(IV) Amido Aryl Complexes Prepared Using H2O2 as Oxidant. Journal of the American Chemical Society, 2017, 139, 643-646 |
4125756 | CIF | C26 H19 F3 N4 O3 Pd S | P 1 21/n 1 | 15.534; 9.1331; 18.096 90; 100.943; 90 | 2520.7 | Abada, Elikplim; Zavalij, Peter Y.; Vedernikov, Andrei N. Reductive C(sp(2))-N Elimination from Isolated Pd(IV) Amido Aryl Complexes Prepared Using H2O2 as Oxidant. Journal of the American Chemical Society, 2017, 139, 643-646 |
4125757 | CIF | C42 H57.5 Fe2 N4.5 S5 | P -1 | 10.6068; 13.466; 16.6462 89.972; 85.8; 67.854 | 2195.3 | Bergner, Marie; Dechert, Sebastian; Demeshko, Serhiy; Kupper, Claudia; Mayer, James M.; Meyer, Franc Model of the MitoNEET [2Fe-2S] Cluster Shows Proton Coupled Electron Transfer. Journal of the American Chemical Society, 2017, 139, 701-707 |
4125758 | CIF | C52.25 H52 N2 O P2 Ru | P 1 21/c 1 | 10.9808; 14.8133; 28.4694 90; 97.311; 90 | 4593.2 | Waldie, Kate M.; Flajslik, Kristen R.; McLoughlin, Elizabeth; Chidsey, Christopher E. D.; Waymouth, Robert M. Electrocatalytic Alcohol Oxidation with Ruthenium Transfer Hydrogenation Catalysts. Journal of the American Chemical Society, 2017, 139, 738-748 |
4125759 | CIF | C36 H66 Cl Ni P2 | C 1 2/c 1 | 17.6551; 9.0738; 21.9618 90; 97.617; 90 | 3487.2 | Mohadjer Beromi, Megan; Nova, Ainara; Balcells, David; Brasacchio, Ann M.; Brudvig, Gary W.; Guard, Louise M.; Hazari, Nilay; Vinyard, David J. Mechanistic Study of an Improved Ni Precatalyst for Suzuki-Miyaura Reactions of Aryl Sulfamates: Understanding the Role of Ni(I) Species. Journal of the American Chemical Society, 2017, 139, 922-936 |
4125760 | CIF | C42 H44 Br Fe Ni O2 P2 | P -1 | 9.443; 14.1318; 15.9349 111.252; 101.106; 96.437 | 1905.9 | Mohadjer Beromi, Megan; Nova, Ainara; Balcells, David; Brasacchio, Ann M.; Brudvig, Gary W.; Guard, Louise M.; Hazari, Nilay; Vinyard, David J. Mechanistic Study of an Improved Ni Precatalyst for Suzuki-Miyaura Reactions of Aryl Sulfamates: Understanding the Role of Ni(I) Species. Journal of the American Chemical Society, 2017, 139, 922-936 |
4125761 | CIF | C92 H100 Cl10 N12 O12 | P 1 21/c 1 | 18.036; 14.73; 39.096 90; 98.71; 90 | 10267 | Wang, Qi-Qiang; Luo, Na; Wang, Xu-Dong; Ao, Yu-Fei; Chen, Yi-Fan; Liu, Jun-Min; Su, Cheng-Yong; Wang, De-Xian; Wang, Mei-Xiang Molecular Barrel by a Hooping Strategy: Synthesis, Structure, and Selective CO2 Adsorption Facilitated by Lone Pair-π Interactions. Journal of the American Chemical Society, 2017, 139, 635-638 |
4125762 | CIF | C90 H93 Cl9 N12 O12 | P -1 | 15.087; 17.675; 18.954 90.351; 101.081; 114.785 | 4482 | Wang, Qi-Qiang; Luo, Na; Wang, Xu-Dong; Ao, Yu-Fei; Chen, Yi-Fan; Liu, Jun-Min; Su, Cheng-Yong; Wang, De-Xian; Wang, Mei-Xiang Molecular Barrel by a Hooping Strategy: Synthesis, Structure, and Selective CO2 Adsorption Facilitated by Lone Pair-π Interactions. Journal of the American Chemical Society, 2017, 139, 635-638 |
4125763 | CIF | C20 H17 N3 O Pd | P 1 21/n 1 | 20.535; 8.546; 28.449 90; 90.715; 90 | 4992 | Deb, Arghya; Hazra, Avijit; Peng, Qian; Paton, Robert S.; Maiti, Debabrata Detailed Mechanistic Studies on Palladium-Catalyzed Selective C-H Olefination with Aliphatic Alkenes: A Significant Influence of Proton Shuttling. Journal of the American Chemical Society, 2017, 139, 763-775 |
4125764 | CIF | C19 H14 F N3 O Pd | P 1 21/n 1 | 6.817; 8.561; 27.641 90; 90.536; 90 | 1613.1 | Deb, Arghya; Hazra, Avijit; Peng, Qian; Paton, Robert S.; Maiti, Debabrata Detailed Mechanistic Studies on Palladium-Catalyzed Selective C-H Olefination with Aliphatic Alkenes: A Significant Influence of Proton Shuttling. Journal of the American Chemical Society, 2017, 139, 763-775 |
4125765 | CIF | C19 H15 N3 O Pd | P 1 21/c 1 | 8.6326; 6.7718; 26.898 90; 96.149; 90 | 1563.4 | Deb, Arghya; Hazra, Avijit; Peng, Qian; Paton, Robert S.; Maiti, Debabrata Detailed Mechanistic Studies on Palladium-Catalyzed Selective C-H Olefination with Aliphatic Alkenes: A Significant Influence of Proton Shuttling. Journal of the American Chemical Society, 2017, 139, 763-775 |
4125766 | CIF | C18 H13 N3 O Pd | P 1 21/c 1 | 6.6497; 13.959; 16.001 90; 97.167; 90 | 1473.7 | Deb, Arghya; Hazra, Avijit; Peng, Qian; Paton, Robert S.; Maiti, Debabrata Detailed Mechanistic Studies on Palladium-Catalyzed Selective C-H Olefination with Aliphatic Alkenes: A Significant Influence of Proton Shuttling. Journal of the American Chemical Society, 2017, 139, 763-775 |
4125767 | CIF | C62 H46 D2 N4 O2 | P 1 21/n 1 | 7.411; 9.27; 33.243 90; 94.575; 90 | 2277 | Deb, Arghya; Hazra, Avijit; Peng, Qian; Paton, Robert S.; Maiti, Debabrata Detailed Mechanistic Studies on Palladium-Catalyzed Selective C-H Olefination with Aliphatic Alkenes: A Significant Influence of Proton Shuttling. Journal of the American Chemical Society, 2017, 139, 763-775 |
4125768 | CIF | C14 H20 N2 O3 S | P b c a | 7.4156; 18.973; 20.2647 90; 90; 90 | 2851.2 | Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines. Journal of the American Chemical Society, 2017, 139, 2216-2223 |
4125769 | CIF | C12 H18 N2 O2 S | P 1 21/c 1 | 8.2085; 23.7502; 7.368 90; 112.863; 90 | 1323.57 | Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines. Journal of the American Chemical Society, 2017, 139, 2216-2223 |
4125770 | CIF | C41 H50 Cl2 N4 O6 S2 | P -1 | 7.3139; 11.178; 12.6984 76.605; 86.384; 85.863 | 1006.13 | Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines. Journal of the American Chemical Society, 2017, 139, 2216-2223 |
4125771 | CIF | C14 H20 N2 O2 S | P -1 | 7.3081; 8.147; 14.0115 98.749; 96.772; 112.872 | 745.2 | Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines. Journal of the American Chemical Society, 2017, 139, 2216-2223 |
4125772 | CIF | C150 H110 B6 F24 N26 O6 Pd3 | P -1 | 15.283; 17.2358; 21.6574 81.538; 81.795; 72.385 | 5348.9 | Preston, Dan; Lewis, James E. M.; Crowley, James D. Multicavity [PdnL4](2n+) Cages with Controlled Segregated Binding of Different Guests. Journal of the American Chemical Society, 2017, 139, 2379-2386 |
4125773 | CIF | C76 H44 B F4 N12 O2 Pd2 | F m m m | 20.0327; 20.7974; 27.9988 90; 90; 90 | 11665.1 | Preston, Dan; Lewis, James E. M.; Crowley, James D. Multicavity [PdnL4](2n+) Cages with Controlled Segregated Binding of Different Guests. Journal of the American Chemical Society, 2017, 139, 2379-2386 |
4125774 | CIF | C18 H30 Fe O6 | C 1 2/c 1 | 15.4305; 11.1187; 12.8932 90; 116.126; 90 | 1986 | Lo, Julian C.; Kim, Dongyoung; Pan, Chung-Mao; Edwards, Jacob T.; Yabe, Yuki; Gui, Jinghan; Qin, Tian; Gutiérrez, Sara; Giacoboni, Jessica; Smith, Myles W.; Holland, Patrick L.; Baran, Phil S. Fe-Catalyzed C-C Bond Construction from Olefins via Radicals. Journal of the American Chemical Society, 2017, 139, 2484-2503 |
4125775 | CIF | C14 H26 Fe O6 | P -1 | 5.2765; 8.7572; 9.3297 75.803; 82.097; 76.752 | 405.3 | Lo, Julian C.; Kim, Dongyoung; Pan, Chung-Mao; Edwards, Jacob T.; Yabe, Yuki; Gui, Jinghan; Qin, Tian; Gutiérrez, Sara; Giacoboni, Jessica; Smith, Myles W.; Holland, Patrick L.; Baran, Phil S. Fe-Catalyzed C-C Bond Construction from Olefins via Radicals. Journal of the American Chemical Society, 2017, 139, 2484-2503 |
4125776 | CIF | C27 H45 Fe O6 | P 1 21/n 1 | 11.3761; 18.9915; 14.7639 90; 105.013; 90 | 3080.85 | Lo, Julian C.; Kim, Dongyoung; Pan, Chung-Mao; Edwards, Jacob T.; Yabe, Yuki; Gui, Jinghan; Qin, Tian; Gutiérrez, Sara; Giacoboni, Jessica; Smith, Myles W.; Holland, Patrick L.; Baran, Phil S. Fe-Catalyzed C-C Bond Construction from Olefins via Radicals. Journal of the American Chemical Society, 2017, 139, 2484-2503 |
4125777 | CIF | C13 H16 Br Cl N2 O3 | C 1 2/c 1 | 21.628; 5.032; 29.519 90; 104.322; 90 | 3112.8 | Soltanzadeh, Bardia; Jaganathan, Arvind; Yi, Yi; Yi, Hajoon; Staples, Richard J.; Borhan, Babak Highly Regio- and Enantioselective Vicinal Dihalogenation of Allyl Amides. Journal of the American Chemical Society, 2017, 139, 2132-2135 |
4125778 | CIF | C13 H16 Cl2 N2 O3 | C 1 2 1 | 21.5878; 5.0337; 14.653 90; 104.612; 90 | 1540.79 | Soltanzadeh, Bardia; Jaganathan, Arvind; Yi, Yi; Yi, Hajoon; Staples, Richard J.; Borhan, Babak Highly Regio- and Enantioselective Vicinal Dihalogenation of Allyl Amides. Journal of the American Chemical Society, 2017, 139, 2132-2135 |
4125779 | CIF | C24 H18 N2 O6 | P 1 21 1 | 7.25525; 19.25052; 7.53413 90; 95.0908; 90 | 1048.12 | Raut, Vivek S.; Jean, Marion; Vanthuyne, Nicolas; Roussel, Christian; Constantieux, Thierry; Bressy, Cyril; Bugaut, Xavier; Bonne, Damien; Rodriguez, Jean Enantioselective Syntheses of Furan Atropisomers by an Oxidative Central-to-Axial Chirality Conversion Strategy. Journal of the American Chemical Society, 2017, 139, 2140-2143 |
4125780 | CIF | C23 H31 F O3 | P 1 21 1 | 9.55555; 7.80421; 25.874 90; 90.4089; 90 | 1929.47 | Pitts, Cody Ross; Bume, Desta Doro; Harry, Stefan Andrew; Siegler, Maxime A.; Lectka, Thomas Multiple Enone-Directed Reactivity Modes Lead to the Selective Photochemical Fluorination of Polycyclic Terpenoid Derivatives. Journal of the American Chemical Society, 2017, 139, 2208-2211 |
4125781 | CIF | C6 N2 O2 S4 | C m c 21 | 6.3278; 7.8999; 15.744 90; 90; 90 | 787 | Mailman, Aaron; Leitch, Alicea A.; Yong, Wenjun; Steven, Eden; Winter, Stephen M.; Claridge, Robert C. M.; Assoud, Abdeljalil; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Oakley, Richard T. The Power of Packing: Metallization of an Organic Semiconductor. Journal of the American Chemical Society, 2017, 139, 2180-2183 |
4125782 | CIF | C7 H F3 N2 O5 S5 | P 1 21/c 1 | 13.1616; 16.236; 6.2846 90; 95.715; 90 | 1336.29 | Mailman, Aaron; Leitch, Alicea A.; Yong, Wenjun; Steven, Eden; Winter, Stephen M.; Claridge, Robert C. M.; Assoud, Abdeljalil; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Oakley, Richard T. The Power of Packing: Metallization of an Organic Semiconductor. Journal of the American Chemical Society, 2017, 139, 2180-2183 |
4125783 | CIF | C19 H29 Cl O Ru | P 1 21/n 1 | 8.7071; 18.0486; 23.181 90; 97.786; 90 | 3609.3 | Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications. Journal of the American Chemical Society, 2017, 139, 2443-2455 |
4125784 | CIF | C16 H19 Cl F6 O Ru | P 1 21/c 1 | 14.0577; 8.4937; 15.6148 90; 106.404; 90 | 1788.54 | Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications. Journal of the American Chemical Society, 2017, 139, 2443-2455 |
4125785 | CIF | C26 H36 Cl N O2 Ru S | P b c a | 17.577; 8.656; 32.749 90; 90; 90 | 4982.6 | Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications. Journal of the American Chemical Society, 2017, 139, 2443-2455 |
4125786 | CIF | C16 H25 Cl O Ru | P 1 21/n 1 | 8.3798; 15.161; 13.0046 90; 99.954; 90 | 1627.3 | Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications. Journal of the American Chemical Society, 2017, 139, 2443-2455 |
4125787 | CIF | C16 H25 Cl O Ru | P -1 | 8.4796; 9.6569; 11.3596 103.839; 95.099; 111.774 | 822.33 | Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications. Journal of the American Chemical Society, 2017, 139, 2443-2455 |
4125788 | CIF | C47 H72 Cl4 Ru4 | P 1 21/n 1 | 11.375; 21.717; 19.94 90; 94.351; 90 | 4912 | Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications. Journal of the American Chemical Society, 2017, 139, 2443-2455 |
4125789 | CIF | C19 H28 Cl F6 O P Ru | P 1 21/c 1 | 15.146; 8.397; 17.685 90; 95.953; 90 | 2237 | Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications. Journal of the American Chemical Society, 2017, 139, 2443-2455 |
4125790 | CIF | C21 H24 Cl F6 N O Ru | P 1 21/n 1 | 8.7929; 12.2158; 20.666 90; 99.091; 90 | 2191.9 | Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications. Journal of the American Chemical Society, 2017, 139, 2443-2455 |
4125791 | CIF | C47 H64 Ce F6 Li N7 O3 | P -1 | 11.464; 13.5176; 17.7065 79.166; 83.578; 66.499 | 2469.38 | Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J. Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies. Journal of the American Chemical Society, 2017, 139, 2435-2442 |
4125792 | CIF | C49 H66 Ce F6 Li N5 O5 | P b c a | 19.7839; 19.5288; 25.0902 90; 90; 90 | 9693.7 | Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J. Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies. Journal of the American Chemical Society, 2017, 139, 2435-2442 |
4125793 | CIF | C49 H68 Ce F6 N5 O7 Rb | P 1 21/n 1 | 11.0902; 28.429; 16.8064 90; 93.708; 90 | 5287.7 | Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J. Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies. Journal of the American Chemical Society, 2017, 139, 2435-2442 |
4125794 | CIF | C49 H68 Ce Cs F6 N5 O7 | P 1 21/n 1 | 11.1543; 28.543; 16.8906 90; 93.714; 90 | 5366.3 | Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J. Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies. Journal of the American Chemical Society, 2017, 139, 2435-2442 |
4125795 | CIF | C59 H84 Ce Cs F6 N7 O9 | P -1 | 11.767; 11.964; 25.5445 95.034; 95.122; 117.863 | 3132.1 | Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J. Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies. Journal of the American Chemical Society, 2017, 139, 2435-2442 |
4125796 | CIF | C36 H54 Ce N4 O4 Si | P -1 | 12.1955; 19.2723; 19.6671 61.128; 72.629; 74.641 | 3822.8 | Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J. Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies. Journal of the American Chemical Society, 2017, 139, 2435-2442 |
4125797 | CIF | C164 H244 Ce4 N16 O24 Rb4 | P -1 | 18.8613; 19.5186; 25.8496 75.561; 71.443; 70.556 | 8396.9 | Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J. Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies. Journal of the American Chemical Society, 2017, 139, 2435-2442 |
4125798 | CIF | C21 H13 F6 N | P 1 21/c 1 | 13.4015; 16.3553; 8.0023 90; 104.143; 90 | 1700.82 | Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J. Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies. Journal of the American Chemical Society, 2017, 139, 2435-2442 |
4125799 | CIF | C42 H84 Cl2 Ni P2 | P 1 21/n 1 | 16.166; 13.71; 19.9425 90; 92.391; 90 | 4416.1 | Kharel, Sugam; Joshi, Hemant; Bierschenk, Stephen; Stollenz, Michael; Taher, Deeb; Bhuvanesh, Nattamai; Gladysz, John A. Homeomorphic Isomerization as a Design Element in Container Molecules; Binding, Displacement, and Selective Transport of MCl2 Species (M = Pt, Pd, Ni). Journal of the American Chemical Society, 2017, 139, 2172-2175 |
4125800 | CIF | C23 H36 O | P -1 | 6.2867; 11.639; 14.1583 89.836; 81.364; 83.017 | 1016.51 | Akhtar, Wasim M.; Cheong, Choon Boon; Frost, James R.; Christensen, Kirsten E.; Stevenson, Neil G.; Donohoe, Timothy J. Hydrogen Borrowing Catalysis with Secondary Alcohols: A New Route for the Generation of β-Branched Carbonyl Compounds. Journal of the American Chemical Society, 2017, 139, 2577-2580 |
4125801 | CIF | C20 H27 F3 O | P 1 21/n 1 | 8.878; 10.7076; 19.1836 90; 100.818; 90 | 1791.22 | Akhtar, Wasim M.; Cheong, Choon Boon; Frost, James R.; Christensen, Kirsten E.; Stevenson, Neil G.; Donohoe, Timothy J. Hydrogen Borrowing Catalysis with Secondary Alcohols: A New Route for the Generation of β-Branched Carbonyl Compounds. Journal of the American Chemical Society, 2017, 139, 2577-2580 |
4125802 | CIF | C26 H34 O2 | P 1 21/c 1 | 15.6288; 6.0197; 23.2786 90; 105.14; 90 | 2114.05 | Akhtar, Wasim M.; Cheong, Choon Boon; Frost, James R.; Christensen, Kirsten E.; Stevenson, Neil G.; Donohoe, Timothy J. Hydrogen Borrowing Catalysis with Secondary Alcohols: A New Route for the Generation of β-Branched Carbonyl Compounds. Journal of the American Chemical Society, 2017, 139, 2577-2580 |
4125803 | CIF | C23 H34 O | P -1 | 8.7086; 9.1288; 24.7749 84.564; 84.328; 81.969 | 1934.16 | Akhtar, Wasim M.; Cheong, Choon Boon; Frost, James R.; Christensen, Kirsten E.; Stevenson, Neil G.; Donohoe, Timothy J. Hydrogen Borrowing Catalysis with Secondary Alcohols: A New Route for the Generation of β-Branched Carbonyl Compounds. Journal of the American Chemical Society, 2017, 139, 2577-2580 |
4125804 | CIF | C56.67 H84 F12 N27.33 O15 P2 | P -1 | 17.8727; 18.7412; 19.8363 66.321; 67.01; 69.406 | 5449.88 | Fiala, Tomas; Ludvíková, Lucie; Heger, Dominik; Švec, Jan; Slanina, Tomáš; Vetráková, L'ubica; Babiak, Michal; Nečas, Marek; Kulhánek, Petr; Klán, Petr; Sindelar, Vladimir Bambusuril as a One-Electron Donor for Photoinduced Electron Transfer to Methyl Viologen in Mixed Crystals. Journal of the American Chemical Society, 2017, 139, 2597-2603 |
4125805 | CIF | C52 H83 B F4 N25 O16 | P -1 | 11.9917; 15.268; 21.2185 95.821; 91; 107.853 | 3673.9 | Fiala, Tomas; Ludvíková, Lucie; Heger, Dominik; Švec, Jan; Slanina, Tomáš; Vetráková, L'ubica; Babiak, Michal; Nečas, Marek; Kulhánek, Petr; Klán, Petr; Sindelar, Vladimir Bambusuril as a One-Electron Donor for Photoinduced Electron Transfer to Methyl Viologen in Mixed Crystals. Journal of the American Chemical Society, 2017, 139, 2597-2603 |
4125806 | CIF | C22 H36 Fe O3 P2 | P 1 c 1 | 11.142; 36.046; 36.238 90; 90.06; 90 | 14554 | Dauth, Alexander; Gellrich, Urs; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David The Ferraquinone-Ferrahydroquinone Couple: Combining Quinonic and Metal-Based Reactivity. Journal of the American Chemical Society, 2017, 139, 2799-2807 |
4125807 | CIF | C26 H43 Cl Fe O4 P2 | P 1 21 1 | 11.1787; 10.1691; 13.5949 90; 112.182; 90 | 1431.05 | Dauth, Alexander; Gellrich, Urs; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David The Ferraquinone-Ferrahydroquinone Couple: Combining Quinonic and Metal-Based Reactivity. Journal of the American Chemical Society, 2017, 139, 2799-2807 |
4125808 | CIF | C22 H33 Br3 Fe O3 P2 | P -1 | 9.5234; 11.7435; 12.329 82.598; 82.607; 69.849 | 1278.39 | Dauth, Alexander; Gellrich, Urs; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David The Ferraquinone-Ferrahydroquinone Couple: Combining Quinonic and Metal-Based Reactivity. Journal of the American Chemical Society, 2017, 139, 2799-2807 |
4125809 | CIF | C51 H76 Fe2 O8 P4 | P 1 21/c 1 | 14.8666; 12.0744; 16.2967 90; 117.105; 90 | 2604.1 | Dauth, Alexander; Gellrich, Urs; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David The Ferraquinone-Ferrahydroquinone Couple: Combining Quinonic and Metal-Based Reactivity. Journal of the American Chemical Society, 2017, 139, 2799-2807 |
4125810 | CIF | C16 H11 B F6 N2 O2 | P 1 21/n 1 | 8.3823; 26.3852; 8.9783 90; 116.224; 90 | 1781.34 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125811 | CIF | C40 H34 B2 Cl4 N4 O4 | P 1 21/n 1 | 7.4226; 25.677; 10.9888 90; 109.143; 90 | 1978.5 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125812 | CIF | C20 H18 B2 N4 O4 S | P 1 21/c 1 | 14.9982; 10.8389; 13.0251 90; 93.653; 90 | 2113.11 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125813 | CIF | C18 H12 B F3 N2 O2 | P 1 21/c 1 | 14.6436; 3.921; 28.941 90; 104.749; 90 | 1607 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125814 | CIF | C26 H20 B2 Br0.8 Cl1.2 N4 O4 | P -1 | 6.797; 9.802; 10.6491 113.714; 93.663; 96.856 | 640.03 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125815 | CIF | C14 H11 B Br2 N2 O2 | P 1 21/c 1 | 13.5305; 14.1551; 8.1397 90; 95.118; 90 | 1552.7 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125816 | CIF | C50 H48 B6 N8 O12 | P -1 | 10.1517; 11.1294; 11.391 80.742; 86.043; 80.122 | 1250.25 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125817 | CIF | C18 H13 B F2 N2 O2 | P 1 21/n 1 | 7.269; 23.218; 9.897 90; 97.038; 90 | 1657.7 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125818 | CIF | C28 H26 B2 N4 O6 | P 1 21/n 1 | 7.4105; 20.0298; 9.3908 90; 109.863; 90 | 1311 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125819 | CIF | C20 H13 B F6 N2 O2 | P 1 21/c 1 | 7.4225; 23.717; 11.927 90; 107.92; 90 | 1997.8 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125820 | CIF | C14 H12 B Cl N2 O2 | C 1 2/m 1 | 12.676; 11.7614; 9.4574 90; 97.256; 90 | 1398.7 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125821 | CIF | C14 H12 B Br N2 O2 | C 1 2/m 1 | 12.6482; 11.8379; 9.6038 90; 97.379; 90 | 1426.1 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125822 | CIF | C32 H34 B2 N4 O4 | P -1 | 7.9753; 10.291; 10.73 109.53; 105.321; 104.113 | 745.1 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125823 | CIF | C18 H21 B N2 O2 | P 1 21/c 1 | 11.6218; 11.2692; 13.6669 90; 100.367; 90 | 1760.7 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
4125824 | CIF | C30 H55 Co N O4 P2 | P 1 c 1 | 16.2149; 19.0932; 11.5026 90; 106.996; 90 | 3405.61 | Obligacion, Jennifer V.; Bezdek, Máté J; Chirik, Paul J. C(sp(2))-H Borylation of Fluorinated Arenes Using an Air-Stable Cobalt Precatalyst: Electronically Enhanced Site Selectivity Enables Synthetic Opportunities. Journal of the American Chemical Society, 2017, 139, 2825-2832 |
4125825 | CIF | C8 H7 F3 Fe0.5 N0.5 O3 S | P 1 21/c 1 | 10.6185; 13.687; 7.4015 90; 108.19; 90 | 1021.94 | Mews, Nicole M.; Berkefeld, Andreas; Hörner, Gerald; Schubert, Hartmut Controlling Near-Infrared Chromophore Electronic Properties through Metal-Ligand Orbital Alignment. Journal of the American Chemical Society, 2017, 139, 2808-2815 |
4125826 | CIF | C76 H79 P Pt S2 | P 1 21/n 1 | 9.4324; 34.7348; 17.2141 90; 91.997; 90 | 5636.5 | Mews, Nicole M.; Berkefeld, Andreas; Hörner, Gerald; Schubert, Hartmut Controlling Near-Infrared Chromophore Electronic Properties through Metal-Ligand Orbital Alignment. Journal of the American Chemical Society, 2017, 139, 2808-2815 |
4125827 | CIF | C28 H28 B2 | P 1 n 1 | 10.385; 19.96; 10.896 90; 90.114; 90 | 2258.6 | Tsukahara, Nana; Asakawa, Hiroki; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto Cleaving Dihydrogen with Tetra(o-tolyl)diborane(4). Journal of the American Chemical Society, 2017, 139, 2593-2596 |
4125828 | CIF | C28 H30 B2 | C 1 2/c 1 | 40.6; 6.991; 17.968 90; 115.905; 90 | 4587 | Tsukahara, Nana; Asakawa, Hiroki; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto Cleaving Dihydrogen with Tetra(o-tolyl)diborane(4). Journal of the American Chemical Society, 2017, 139, 2593-2596 |
4125829 | CIF | C19 H20 B N | P 1 21/c 1 | 15.4038; 12.2332; 17.2715 90; 98.024; 90 | 3222.7 | Tsukahara, Nana; Asakawa, Hiroki; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto Cleaving Dihydrogen with Tetra(o-tolyl)diborane(4). Journal of the American Chemical Society, 2017, 139, 2593-2596 |
4125830 | CIF | Cd54 O4 Se80 | P -4 3 m | 24.412; 24.412; 24.412 90; 90; 90 | 14548 | Levchenko, Tetyana I.; Kübel, Christian; Khalili Najafabadi, Bahareh; Boyle, Paul D.; Cadogan, Carolyn; Goncharova, Lyudmila V.; Garreau, Alexandre; Lagugné-Labarthet, François; Huang, Yining; Corrigan, John F. Luminescent CdSe Superstructures: A Nanocluster Superlattice and a Nanoporous Crystal. Journal of the American Chemical Society, 2017, 139, 1129-1144 |
4125831 | CIF | C24 H16 Fe N12 O2 Pd | C 1 2/c 1 | 26.6098; 7.296; 28.9626 90; 110.651; 90 | 5261.6 | Murphy, Michael J.; Zenere, Katrina A.; Ragon, Florence; Southon, Peter D.; Kepert, Cameron J.; Neville, Suzanne M. Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material. Journal of the American Chemical Society, 2017, 139, 1330-1335 |
4125832 | CIF | C22 H16 Fe N12 O3 Pd | C 1 2/c 1 | 26.4752; 7.4361; 29.3821 90; 109.99; 90 | 5436 | Murphy, Michael J.; Zenere, Katrina A.; Ragon, Florence; Southon, Peter D.; Kepert, Cameron J.; Neville, Suzanne M. Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material. Journal of the American Chemical Society, 2017, 139, 1330-1335 |
4125833 | CIF | C56 H56 Cl4 Cu F3 N4 O3 Pd S | P 1 21 1 | 10.532; 20.908; 12.844 90; 102.278; 90 | 2763.6 | Oeschger, Raphael J.; Chen, Peter Structure and Gas-Phase Thermochemistry of a Pd/Cu Complex: Studies on a Model for Transmetalation Transition States. Journal of the American Chemical Society, 2017, 139, 1069-1072 |
4125834 | CIF | C21 H13 B F2 N4 | P 1 21/n 1 | 14.6614; 6.76028; 17.1457 90; 92.7294; 90 | 1697.47 | Qian, Hai; Wang, Yu-Ying; Guo, Dong-Sheng; Aprahamian, Ivan Controlling the Isomerization Rate of an Azo-BF2 Switch Using Aggregation. Journal of the American Chemical Society, 2017, 139, 1037-1040 |
4125835 | CIF | C46 H37 Cl4 Cu F6 N2 S2 | C 1 2/c 1 | 30.9319; 18.2206; 19.219 90; 127.608; 90 | 8581 | Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H. Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols. Journal of the American Chemical Society, 2017, 139, 1045-1048 |
4125836 | CIF | C17 H7 Cl4 Cu F6 N3 O2 | C 1 2/c 1 | 12.5124; 9.5784; 18.2174 90; 94.815; 90 | 2175.6 | Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H. Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols. Journal of the American Chemical Society, 2017, 139, 1045-1048 |
4125837 | CIF | C34 H16 Cl8 Cu2 F12 N4 O2 | C 1 2/c 1 | 12.4145; 17.6411; 18.8543 90; 98.815; 90 | 4080.42 | Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H. Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols. Journal of the American Chemical Society, 2017, 139, 1045-1048 |
4125838 | CIF | C21 H15 Cl4 Cu F6 N3 O3 | P -1 | 8.0134; 11.9127; 13.9735 102.98; 91.754; 101.233 | 1271.08 | Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H. Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols. Journal of the American Chemical Society, 2017, 139, 1045-1048 |
4125839 | CIF | C180 H150 Ag23 Cl7 P10 Pt2 | P 1 21/m 1 | 16.5654; 23.626; 30.091 90; 103.843; 90 | 11434.8 | Bootharaju, Megalamane S.; Kozlov, Sergey M.; Cao, Zhen; Harb, Moussab; Maity, Niladri; Shkurenko, Aleksander; Parida, Manas R.; Hedhili, Mohamed N.; Eddaoudi, Mohamed; Mohammed, Omar F.; Bakr, Osman M.; Cavallo, Luigi; Basset, Jean-Marie Doping-Induced Anisotropic Self-Assembly of Silver Icosahedra in [Pt2Ag23Cl7(PPh3)10] Nanoclusters. Journal of the American Chemical Society, 2017, 139, 1053-1056 |
4125840 | CIF | C33 H38 N4 O Si | P 1 21/n 1 | 8.2737; 14.9975; 48.44 90; 91.96; 90 | 6007.2 | Viart, Hélène M-F; Bachmann, Andreas; Kayitare, William; Sarpong, Richmond β-Carboline Amides as Intrinsic Directing Groups for C(sp(2))-H Functionalization. Journal of the American Chemical Society, 2017, 139, 1325-1329 |
4125841 | CIF | C33.5 H29 N3 O | P 1 21/n 1 | 18.7157; 14.5858; 19.373 90; 98.405; 90 | 5231.7 | Viart, Hélène M-F; Bachmann, Andreas; Kayitare, William; Sarpong, Richmond β-Carboline Amides as Intrinsic Directing Groups for C(sp(2))-H Functionalization. Journal of the American Chemical Society, 2017, 139, 1325-1329 |
4125842 | CIF | C9 H9 N5 | P 1 21/c 1 | 9.2667; 10.0686; 10.9395 90; 111.348; 90 | 950.65 | Calbo, Joaquín; Weston, Claire E.; White, Andrew J. P.; Rzepa, Henry S.; Contreras-García, Julia; Fuchter, Matthew J. Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design. Journal of the American Chemical Society, 2017, 139, 1261-1274 |
4125843 | CIF | C10 H10 N4 | P b c a | 10.1175; 11.0673; 16.8859 90; 90; 90 | 1890.77 | Calbo, Joaquín; Weston, Claire E.; White, Andrew J. P.; Rzepa, Henry S.; Contreras-García, Julia; Fuchter, Matthew J. Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design. Journal of the American Chemical Society, 2017, 139, 1261-1274 |
4125844 | CIF | C5 H7 N3 O2 | P 1 21/c 1 | 8.012; 11.491; 7.7899 90; 113.418; 90 | 658.11 | Calbo, Joaquín; Weston, Claire E.; White, Andrew J. P.; Rzepa, Henry S.; Contreras-García, Julia; Fuchter, Matthew J. Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design. Journal of the American Chemical Society, 2017, 139, 1261-1274 |
4125845 | CIF | C F K Mg O3 | P -6 2 m | 8.8437; 8.8437; 3.9254 90; 90; 120 | 265.878 | Tran, T. Thao; Young, Joshua; Rondinelli, James M.; Halasyamani, P. Shiv Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017, 139, 1285-1295 |
4125846 | CIF | C8 Cs9 F5 Mg6 O24 | P m n 21 | 13.2888; 6.8258; 18.824 90; 90; 90 | 1707.5 | Tran, T. Thao; Young, Joshua; Rondinelli, James M.; Halasyamani, P. Shiv Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017, 139, 1285-1295 |
4125847 | CIF | C18 H30 Cl Ir N2 O S | P 1 21/c 1 | 11.7733; 10.6772; 30.5233 90; 96.563; 90 | 3811.8 | Dub, Pavel A.; Scott, Brian L.; Gordon, John C. Why Does Alkylation of the N-H Functionality within M/NH Bifunctional Noyori-Type Catalysts Lead to Turnover? Journal of the American Chemical Society, 2017, 139, 1245-1260 |
4125848 | CIF | C17 H28 Cl Ir N2 O S | P 1 21/n 1 | 10.3404; 15.103; 11.7278 90; 99.003; 90 | 1809 | Dub, Pavel A.; Scott, Brian L.; Gordon, John C. Why Does Alkylation of the N-H Functionality within M/NH Bifunctional Noyori-Type Catalysts Lead to Turnover? Journal of the American Chemical Society, 2017, 139, 1245-1260 |
4125849 | CIF | C306 H144 Mg6 O72 S36 | R -3 :H | 65.243; 65.243; 10.2551 90; 90; 120 | 37804 | Park, Sarah S.; Hendon, Christopher H.; Fielding, Alistair J.; Walsh, Aron; O'Keeffe, Michael; Dincă, Mircea The Organic Secondary Building Unit: Strong Intermolecular π Interactions Define Topology in MIT-25, a Mesoporous MOF with Proton-Replete Channels. Journal of the American Chemical Society, 2017, 139, 3619-3622 |
4125854 | CIF | C27 H36 O8 | P -1 | 12.3565; 15.4538; 17.0147 83.811; 75.257; 80.638 | 3092.7 | Wang, Fang-Xin; Du, Ji-Yuan; Wang, Hui-Bin; Zhang, Peng-Lin; Zhang, Guo-Biao; Yu, Ke-Yin; Zhang, Xiang-Zhi; An, Xian-Tao; Cao, Ye-Xing; Fan, Chun-An Total Synthesis of Lycopodium Alkaloids Palhinine A and Palhinine D. Journal of the American Chemical Society, 2017, 139, 4282-4285 |
4125855 | CIF | C18 H25 N O4 | P 1 21/c 1 | 8.3782; 22.5803; 8.7664 90; 111.944; 90 | 1538.3 | Wang, Fang-Xin; Du, Ji-Yuan; Wang, Hui-Bin; Zhang, Peng-Lin; Zhang, Guo-Biao; Yu, Ke-Yin; Zhang, Xiang-Zhi; An, Xian-Tao; Cao, Ye-Xing; Fan, Chun-An Total Synthesis of Lycopodium Alkaloids Palhinine A and Palhinine D. Journal of the American Chemical Society, 2017, 139, 4282-4285 |
4125856 | CIF | C17 H25 N O3 | P 1 21/c 1 | 18.3993; 7.78611; 20.8816 90; 90.719; 90 | 2991.24 | Wang, Fang-Xin; Du, Ji-Yuan; Wang, Hui-Bin; Zhang, Peng-Lin; Zhang, Guo-Biao; Yu, Ke-Yin; Zhang, Xiang-Zhi; An, Xian-Tao; Cao, Ye-Xing; Fan, Chun-An Total Synthesis of Lycopodium Alkaloids Palhinine A and Palhinine D. Journal of the American Chemical Society, 2017, 139, 4282-4285 |
4125857 | CIF | C19 H16 O2 | P 1 21/c 1 | 13.1333; 9.4398; 11.3277 90; 101.923; 90 | 1374.06 | Lau, Vivian M.; Pfalzgraff, William C.; Markland, Thomas E.; Kanan, Matthew W. Electrostatic Control of Regioselectivity in Au(I)-Catalyzed Hydroarylation. Journal of the American Chemical Society, 2017, 139, 4035-4041 |
4125858 | CIF | C34 H30 F12 Ni2 P2 | P -1 | 6.8201; 10.8988; 12.5246 68.965; 79.16; 81.812 | 850.57 | Giffin, Kaitie A.; Pua, Lorraine A.; Piotrkowski, Sarah; Gabidullin, Bulat M.; Korobkov, Ilia; Hughes, Russell P.; Baker, R. Tom Generation of Hydrofluoronickelacycles from Trifluoroethylene and Ni(0): Ligand Effects on Regio-/Stereoselectivity and Reactivity. Journal of the American Chemical Society, 2017, 139, 4075-4086 |
4125859 | CIF | C32 H28 F8 O6 P2 S2 | P -1 | 8.0635; 10.4307; 11.0659 99.725; 98.579; 107.584 | 854.41 | Giffin, Kaitie A.; Pua, Lorraine A.; Piotrkowski, Sarah; Gabidullin, Bulat M.; Korobkov, Ilia; Hughes, Russell P.; Baker, R. Tom Generation of Hydrofluoronickelacycles from Trifluoroethylene and Ni(0): Ligand Effects on Regio-/Stereoselectivity and Reactivity. Journal of the American Chemical Society, 2017, 139, 4075-4086 |
4125860 | CIF | C72 H44 F6 N8 O7.5 S2 Zn | P -1 | 12.7756; 13.0805; 18.7153 93.233; 90.756; 94.444 | 3112.69 | He, Yun-Jui; Tu, Tsung-Han; Su, Ming-Kun; Yang, Chia-Wei; Kong, Kien Voon; Chan, Yi-Tsu Facile Construction of Metallo-supramolecular Poly(3-hexylthiophene)-block-Poly(ethylene oxide) Diblock Copolymers via Complementary Coordination and Their Self-Assembled Nanostructures. Journal of the American Chemical Society, 2017, 139, 4218-4224 |
4125861 | CIF | C32 H21 B2 F12 Fe N7 | P 1 21/c 1 | 10.9455; 28.393; 11.0501 90; 93.95; 90 | 3425.9 | Fatur, Steven M.; Shepard, Samuel G.; Higgins, Robert F.; Shores, Matthew P.; Damrauer, Niels H. A Synthetically Tunable System To Control MLCT Excited-State Lifetimes and Spin States in Iron(II) Polypyridines. Journal of the American Chemical Society, 2017, 139, 4493-4505 |
4125862 | CIF | C32 H21 B2 F12 Fe N7 | P 1 21/c 1 | 10.1127; 28.166; 11.2884 90; 92.54; 90 | 3212.2 | Fatur, Steven M.; Shepard, Samuel G.; Higgins, Robert F.; Shores, Matthew P.; Damrauer, Niels H. A Synthetically Tunable System To Control MLCT Excited-State Lifetimes and Spin States in Iron(II) Polypyridines. Journal of the American Chemical Society, 2017, 139, 4493-4505 |
4125863 | CIF | C34 H28 B2 Br4 F8 Fe N6 O | P 1 21/n 1 | 21.1642; 16.9913; 23.7983 90; 112.85; 90 | 7886.4 | Fatur, Steven M.; Shepard, Samuel G.; Higgins, Robert F.; Shores, Matthew P.; Damrauer, Niels H. A Synthetically Tunable System To Control MLCT Excited-State Lifetimes and Spin States in Iron(II) Polypyridines. Journal of the American Chemical Society, 2017, 139, 4493-4505 |
4125864 | CIF | C37 H23 B2 Cl4 F8 Fe N7 | C 1 2 1 | 17.1024; 20.8582; 23.0504 90; 102.493; 90 | 8028 | Fatur, Steven M.; Shepard, Samuel G.; Higgins, Robert F.; Shores, Matthew P.; Damrauer, Niels H. A Synthetically Tunable System To Control MLCT Excited-State Lifetimes and Spin States in Iron(II) Polypyridines. Journal of the American Chemical Society, 2017, 139, 4493-4505 |
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