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: 4125331
CIF file Formula: - C34 H41 N4 O3 -
Comments: 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 139(1) (2017) 335-341
Space group: P -1
Cell volume: 3057.4
Cell parameters: 8.3954; 12.6294; 29.103; 96.201; 94.663; 90.016;  

COD ID: 4125332
CIF file Formula: - C21 H14 F5 N O3 S -
Comments: 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 139(1) (2017) 87-90
Space group: P 1 21 1
Cell volume: 1944.61
Cell parameters: 5.9674; 26.9049; 12.112; 90; 90.059; 90;  

COD ID: 4125333
CIF file Formula: - C55 H67 Co N3 -
Comments: 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 139(1) (2017) 373-380
Space group: P 1 21/m 1
Cell volume: 4894.4
Cell parameters: 12.2364; 16.4272; 24.439; 90; 94.911; 90;  

COD ID: 4125334
CIF file Formula: - C51 H63 Co N3 -
Comments: 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 139(1) (2017) 373-380
Space group: P 1 21/m 1
Cell volume: 2245.3
Cell parameters: 11.283; 15.718; 12.919; 90; 101.482; 90;  

COD ID: 4125335
CIF file Formula: - C41 H66 Co N2 Si2 -
Comments: 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 139(1) (2017) 373-380
Space group: P -1
Cell volume: 1999.1
Cell parameters: 10.0663; 10.6374; 19.5657; 85.977; 85.038; 73.507;  

COD ID: 4125336
CIF file Formula: - C29 H51 N5 O7 -
Comments: 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 139(1) (2017) 492-516
Space group: P 1 21 1
Cell volume: 3226.9
Cell parameters: 11.5458; 16.5702; 16.8885; 90; 92.912; 90;  

COD ID: 4125337
CIF file Formula: - C25 H43 N5 O7 -
Comments: 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 139(1) (2017) 492-516
Space group: P 21 21 21
Cell volume: 2917.1
Cell parameters: 11.7505; 15.361; 16.1615; 90; 90; 90;  

COD ID: 4125338
CIF file Formula: - C26 H45 N5 O7 -
Comments: 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 139(1) (2017) 492-516
Space group: P 1
Cell volume: 3056.2
Cell parameters: 11.9119; 15.619; 16.4598; 86.532; 89.527; 88.976;  

COD ID: 4125339
CIF file Formula: - C28 H50 N6 O6 -
Comments: 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 139(1) (2017) 492-516
Space group: P 21 21 21
Cell volume: 3125.7
Cell parameters: 12.4001; 15.333; 16.44; 90; 90; 90;  

COD ID: 4125340
CIF file Formula: - C27 H50 N6 O6 -
Comments: 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 139(1) (2017) 492-516
Space group: P 21 21 21
Cell volume: 3216.1
Cell parameters: 9.6322; 10.7847; 30.96; 90; 90; 90;  

COD ID: 4125341
CIF file Formula: - C36 H50 N6 O6 -
Comments: 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 139(1) (2017) 492-516
Space group: P 1 21 1
Cell volume: 3605.5
Cell parameters: 18.9459; 10.2874; 20.3541; 90; 114.654; 90;  

COD ID: 4125342
CIF file Formula: - C34 H53 N5 O7.5 -
Comments: 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 139(1) (2017) 492-516
Space group: P 21 21 21
Cell volume: 7206.2
Cell parameters: 16.3898; 18.3004; 24.0255; 90; 90; 90;  

COD ID: 4125343
CIF file Formula: - C27 H47 N5 O7 -
Comments: 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 139(1) (2017) 492-516
Space group: P 1 21 1
Cell volume: 3141.8
Cell parameters: 11.7452; 16.8106; 15.9153; 90; 91.065; 90;  

COD ID: 4125344
CIF file Formula: - C26 H46 N6 O6 -
Comments: 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 139(1) (2017) 492-516
Space group: P 21 21 21
Cell volume: 3086.5
Cell parameters: 9.4965; 10.4398; 31.132; 90; 90; 90;  

COD ID: 4125345
CIF file Formula: - C24 H43 N5 O7 -
Comments: 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 139(1) (2017) 492-516
Space group: P 21 21 21
Cell volume: 5710.8
Cell parameters: 16.145; 16.2685; 21.7425; 90; 90; 90;  

COD ID: 4125346
CIF file Formula: - C25 H45 N5 O7 -
Comments: 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 139(1) (2017) 492-516
Space group: P 21 21 21
Cell volume: 2945.6
Cell parameters: 9.6442; 10.6337; 28.723; 90; 90; 90;  

COD ID: 4125347
CIF file Formula: - C30 H46 N6 O6 -
Comments: 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 139(1) (2017) 492-516
Space group: P 21 21 21
Cell volume: 3205.4
Cell parameters: 9.5116; 10.8943; 30.9331; 90; 90; 90;  

COD ID: 4125348
CIF file Formula: - C26 H47 N5 O7 -
Comments: 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 139(1) (2017) 492-516
Space group: P 1 21 1
Cell volume: 1494.22
Cell parameters: 5.909; 24.4001; 10.6197; 90; 102.609; 90;  

COD ID: 4125349
CIF file Formula: - C29 H45 N5 O7 -
Comments: 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 139(1) (2017) 492-516
Space group: P 21 21 21
Cell volume: 3108.8
Cell parameters: 9.7528; 10.8277; 29.439; 90; 90; 90;  

COD ID: 4125350
CIF file Formula: - C26 H45 N5 O7 -
Comments: 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 139(1) (2017) 492-516
Space group: P 1 21 1
Cell volume: 1549.38
Cell parameters: 9.9289; 14.2705; 11.0675; 90; 98.876; 90;  

COD ID: 4125351
CIF file Formula: - C32 H49 N5 O7 -
Comments: 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 139(1) (2017) 492-516
Space group: P 1
Cell volume: 1708
Cell parameters: 5.8475; 11.4463; 26.2716; 83.314; 84.006; 78.952;  

COD ID: 4125352
CIF file Formula: - C26 H47 N5 O7 -
Comments: 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 139(1) (2017) 492-516
Space group: P 21 21 21
Cell volume: 3029.07
Cell parameters: 9.5263; 10.9728; 28.9779; 90; 90; 90;  

COD ID: 4125353
CIF file Formula: - C30 H46 N6 O6 -
Comments: 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 139(1) (2017) 492-516
Space group: P 1 21 1
Cell volume: 1615.03
Cell parameters: 11.0991; 9.255; 16.0095; 90; 100.869; 90;  

COD ID: 4125354
CIF file Formula: - C27 H46 N4 O7 -
Comments: 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 139(1) (2017) 492-516
Space group: P 1 21 1
Cell volume: 1484.07
Cell parameters: 12.0174; 9.4647; 13.6217; 90; 106.691; 90;  

COD ID: 4125355
CIF file Formula: - C28 H46 N6 O6 S -
Comments: 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 139(1) (2017) 492-516
Space group: P 1
Cell volume: 1577.24
Cell parameters: 10.2959; 10.4853; 14.9355; 94.868; 100.913; 90.106;  

COD ID: 4125356
CIF file Formula: - C28 H49 N5 O7 -
Comments: 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 139(1) (2017) 492-516
Space group: P 1 21 1
Cell volume: 3191.5
Cell parameters: 11.7165; 16.9463; 16.0776; 90; 91.257; 90;  

COD ID: 4125357
CIF file Formula: - C32 H52 N6 O6 -
Comments: 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 139(1) (2017) 492-516
Space group: P 21 21 21
Cell volume: 6938
Cell parameters: 11.725; 22.82; 25.93; 90; 90; 90;  

COD ID: 4125358
CIF file Formula: - C29 H43 N5 O7 -
Comments: 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 139(1) (2017) 492-516
Space group: P 1 21 1
Cell volume: 1493.37
Cell parameters: 10.6027; 8.8911; 15.9646; 90; 97.122; 90;  

COD ID: 4125359
CIF file Formula: - C27 H48 N6 O6 -
Comments: 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 139(1) (2017) 492-516
Space group: P 21 21 21
Cell volume: 3081.8
Cell parameters: 9.7541; 10.7355; 29.43; 90; 90; 90;  

COD ID: 4125360
CIF file Formula: - C29 H50 N6 O6 -
Comments: 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 139(1) (2017) 492-516
Space group: P 21 21 21
Cell volume: 3256.7
Cell parameters: 9.6852; 10.7444; 31.296; 90; 90; 90;  

COD ID: 4125361
CIF file Formula: - C28 H43 N5 O7 -
Comments: 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 139(1) (2017) 492-516
Space group: P 1 21 1
Cell volume: 1478
Cell parameters: 10.6617; 8.8095; 15.8579; 90; 97.106; 90;  

COD ID: 4125362
CIF file Formula: - C30 H44 N4 O7 S -
Comments: 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 139(1) (2017) 492-516
Space group: P 21 21 21
Cell volume: 3319
Cell parameters: 14.0134; 21.2939; 11.1225; 90; 90; 90;  

COD ID: 4125363
CIF file Formula: - C29 H53 N7 O9 -
Comments: 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 139(1) (2017) 492-516
Space group: P 1 21 1
Cell volume: 1724
Cell parameters: 9.6527; 18.7582; 10.5398; 90; 115.399; 90;  

COD ID: 4125364
CIF file Formula: - C33 H50 N4 O7 S -
Comments: 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 139(1) (2017) 492-516
Space group: P 21 21 21
Cell volume: 3496.5
Cell parameters: 11.8017; 15.0992; 19.6217; 90; 90; 90;  

COD ID: 4125365
CIF file Formula: - C22 H37 N5 O7 -
Comments: 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 139(1) (2017) 492-516
Space group: P 1 21 1
Cell volume: 2577.9
Cell parameters: 9.8381; 10.3396; 25.5626; 90; 97.525; 90;  

COD ID: 4125366
CIF file Formula: - C29.25 H54.5 Cl N6 O6.25 -
Comments: 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 139(1) (2017) 492-516
Space group: C 1 2 1
Cell volume: 7177.2
Cell parameters: 27.2814; 15.4659; 17.7648; 90; 106.757; 90;  

COD ID: 4125367
CIF file Formula: - C58 H88 Li4 N4 O8 -
Comments: 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 139(1) (2017) 527-533
Space group: P 1 21 1
Cell volume: 2834.3
Cell parameters: 12.3684; 18.2504; 13.2045; 90; 108.027; 90;  

COD ID: 4125368
CIF file Formula: - C53 H39 Cl3 F12 N4 O6 -
Comments: 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 139(1) (2017) 548-560
Space group: P 1 21/c 1
Cell volume: 5130.7
Cell parameters: 13.903; 30.755; 12.122; 90; 98.163; 90;  

COD ID: 4125369
CIF file Formula: - C112 H152 N6 O36 P6 Zn6 -
Comments: 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 139(1) (2017) 59-62
Space group: P -1
Cell volume: 3076.4
Cell parameters: 15.158; 15.3757; 15.9657; 61.884; 69.613; 80.627;  

COD ID: 4125370
CIF file Formula: - C152 H187 N12 O40 P8 Zn8 -
Comments: 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 139(1) (2017) 59-62
Space group: P 1 21/c 1
Cell volume: 18744
Cell parameters: 20.717; 28.654; 31.996; 90; 99.303; 90;  

COD ID: 4125371
CIF file Formula: - C88 H124 F N5 O20 P4 Zn4 -
Comments: 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 139(1) (2017) 59-62
Space group: C 1 2/c 1
Cell volume: 10028
Cell parameters: 24.471; 21.59; 18.982; 90; 90.508; 90;  

COD ID: 4125372
CIF file Formula: - C172 H202 Cl8 N30 O32 P8 Zn8 -
Comments: 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 139(1) (2017) 59-62
Space group: P -1
Cell volume: 10275
Cell parameters: 20.1992; 20.2; 30.891; 87.998; 71.693; 60.233;  

COD ID: 4125373
CIF file Formula: - C92.88 H28 Cl0.72 N5.52 O36 Re0.78 Zr6 -
Comments: 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 139(1) (2017) 356-362
Space group: F m -3 m
Cell volume: 19079.8
Cell parameters: 26.7213; 26.7213; 26.7213; 90; 90; 90;  

COD ID: 4125374
CIF file Formula: - C39 H36 B Cl2 F10 O2 P -
Comments: 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 139(1) (2017) 426-435
Space group: P -1
Cell volume: 1905
Cell parameters: 12.1938; 12.1954; 14.403; 95.074; 104.765; 110.31;  

COD ID: 4125375
CIF file Formula: - C46 H22 B F10 O2 P -
Comments: 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 139(1) (2017) 426-435
Space group: P -1
Cell volume: 1793.79
Cell parameters: 12.1499; 12.23; 14.2517; 67.943; 72.004; 68.902;  

COD ID: 4125376
CIF file Formula: - C51 H30 B F10 O2 P -
Comments: 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 139(1) (2017) 426-435
Space group: C 1 2/c 1
Cell volume: 8272.9
Cell parameters: 35.141; 12.6854; 19.7553; 90; 110.047; 90;  

COD ID: 4125377
CIF file Formula: - C44 H22 B F10 O2 P -
Comments: 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 139(1) (2017) 426-435
Space group: P -1
Cell volume: 1772.5
Cell parameters: 11.5384; 12.434; 14.3574; 100.016; 103.12; 112.579;  

COD ID: 4125378
CIF file Formula: - C68 H40 B2 Cl4 F20 N4 O4 -
Comments: 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 139(1) (2017) 426-435
Space group: P -1
Cell volume: 3151.2
Cell parameters: 11.331; 14.461; 20.313; 79.494; 76.28; 80.221;  

COD ID: 4125379
CIF file Formula: - C36 H26 B F10 O2 P -
Comments: 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 139(1) (2017) 426-435
Space group: P -1
Cell volume: 1560.9
Cell parameters: 11.272; 11.615; 12.999; 96.308; 98.573; 109.688;  

COD ID: 4125380
CIF file Formula: - C48 H26 B Cl4 F10 O2 P -
Comments: 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 139(1) (2017) 426-435
Space group: P -1
Cell volume: 2264
Cell parameters: 11.266; 14.188; 15.869; 93.22; 109.04; 106.77;  

COD ID: 4125381
CIF file Formula: - C39 H38 B Cl2 F10 O2 P -
Comments: 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 139(1) (2017) 426-435
Space group: P b c a
Cell volume: 7829
Cell parameters: 20.116; 16.403; 23.728; 90; 90; 90;  

COD ID: 4125382
CIF file Formula: - C48 H33 B Cl2 F10 N2 O2 -
Comments: 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 139(1) (2017) 426-435
Space group: P 1 21/c 1
Cell volume: 4437.4
Cell parameters: 14.349; 14.6217; 21.734; 90; 103.312; 90;  

COD ID: 4125383
CIF file Formula: - C45 H30 B F10 O2 P -
Comments: 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 139(1) (2017) 426-435
Space group: P -1
Cell volume: 1849.57
Cell parameters: 11.9389; 12.3205; 13.4662; 75.071; 79.753; 76.984;  

COD ID: 4125384
CIF file Formula: - C39 H32 B F10 N O3.5 -
Comments: 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 139(1) (2017) 426-435
Space group: P -1
Cell volume: 1626.1
Cell parameters: 10.1843; 12.478; 14.2277; 96.946; 94.317; 113.853;  

COD ID: 4125385
CIF file Formula: - C40 H35 B F10 N2 O2 -
Comments: 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 139(1) (2017) 426-435
Space group: P 1 21/n 1
Cell volume: 3551.8
Cell parameters: 17.84; 11.2767; 18.421; 90; 106.581; 90;  

COD ID: 4125386
CIF file Formula: - C68 H116 Cl2 Cu N8 O10 -
Comments: 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 139(1) (2017) 472-481
Space group: P 1 21/c 1
Cell volume: 3556.6
Cell parameters: 10.79777; 18.02876; 18.36383; 90; 95.7982; 90;  

COD ID: 4125387
CIF file Formula: - C21 H16 Cl4 Cu F6 N2 O -
Comments: 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 139(3) (2017) 1045-1048
Space group: P 1 21/m 1
Cell volume: 1221.9
Cell parameters: 7.2563; 19.6314; 8.5775; 90; 90.146; 90;  

COD ID: 4125388
CIF file Formula: - C37 H37 Cl4 Cu F6 N2 S2 -
Comments: 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 139(3) (2017) 1045-1048
Space group: P 1 21/n 1
Cell volume: 3753.4
Cell parameters: 12.494; 13.226; 23.435; 90; 104.249; 90;  

COD ID: 4125389
CIF file Formula: - C39 H37 Cl4 Cu F6 N2 S2 -
Comments: 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 139(3) (2017) 1045-1048
Space group: P b c a
Cell volume: 8169.2
Cell parameters: 17.9172; 17.5654; 25.9568; 90; 90; 90;  

COD ID: 4125390
CIF file Formula: - C23 H47 Fe N4 O2 S2 -
Comments: 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 139(1) (2017) 119-129
Space group: P n a 21
Cell volume: 2791.3
Cell parameters: 17.958; 8.561; 18.156; 90; 90; 90;  

COD ID: 4125391
CIF file Formula: - C379 H345 Ag63 B Cl6 F71.41 P8 S36 -
Comments: 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 139(1) (2017) 31-34
Space group: R -3
Cell volume: 63747
Cell parameters: 25.3369; 25.3369; 114.6628; 90; 90; 120;  

COD ID: 4125392
CIF file Formula: - C315 Ag63 Br F72 P8 S36 -
Comments: 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 139(1) (2017) 31-34
Space group: R -3
Cell volume: 63553.5
Cell parameters: 25.2879; 25.2879; 114.758; 90; 90; 120;  

COD ID: 4125393
CIF file Formula: - C256 H294 Ag38 Cl8 F52 P8 S26 -
Comments: 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 139(1) (2017) 31-34
Space group: P 1 21/n 1
Cell volume: 15630.8
Cell parameters: 23.5229; 22.1084; 30.7227; 90; 101.956; 90;  

COD ID: 4125394
CIF file Formula: - C127.92 H73.12 N27.44 Ni10.24 O21.98 -
Comments: 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 139(1) (2017) 211-217
Space group: P m -3 m
Cell volume: 10020.1
Cell parameters: 21.5588; 21.5588; 21.5588; 90; 90; 90;  

COD ID: 4125395
CIF file Formula: - C31 H33 B Cl Ir N3 Si -
Comments: 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 139(1) (2017) 91-94
Space group: P 1 21/c 1
Cell volume: 5704
Cell parameters: 15.571; 27.889; 13.1594; 90; 93.496; 90;  

COD ID: 4125396
CIF file Formula: - C27 H27 B Cl Ir N3 Si -
Comments: 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 139(1) (2017) 91-94
Space group: P 41 21 2
Cell volume: 5178
Cell parameters: 11.047; 11.047; 42.43; 90; 90; 90;  

COD ID: 4125397
CIF file Formula: - C21.38 H32.5 B N4 O6.38 -
Comments: Bandyopadhyay, Anupam; Cambray, Samantha; Gao, Jianmin Fast Diazaborine Formation of Semicarbazide Enables Facile Labeling of Bacterial Pathogens. Journal of the American Chemical Society 139(2) (2017) 871-878
Space group: P 1
Cell volume: 2506.7
Cell parameters: 11.1773; 12.6727; 18.2164; 100.992; 97.611; 91.693;  

COD ID: 4125406
CIF file Formula: - C112 H140 Cr N6 O -
Comments: 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 139(2) (2017) 985-992
Space group: P 1 21/c 1
Cell volume: 10244
Cell parameters: 20.1406; 23.222; 23.1156; 90; 108.643; 90;  

COD ID: 4125407
CIF file Formula: - C55 H136 N7 O0 P3 Pd12 Sb21 -
Comments: 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 139(2) (2017) 619-622
Space group: P 1 21/n 1
Cell volume: 9830
Cell parameters: 16.834; 31.679; 19.255; 90; 106.808; 90;  

COD ID: 4125408
CIF file Formula: - C92 H176 P4 Pd12 Sb21 -
Comments: 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 139(2) (2017) 619-622
Space group: C 1 2/m 1
Cell volume: 7042.7
Cell parameters: 19.3446; 20.8536; 19.6141; 90; 117.117; 90;  

COD ID: 4125410
CIF file Formula: - C34 H44 Cl10 Rh2 -
Comments: 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 139(3) (2017) 1296-1310
Space group: P -1
Cell volume: 1965.6
Cell parameters: 10.387; 12.581; 17.001; 74.868; 75.734; 68.376;  

COD ID: 4125411
CIF file Formula: - C24 H42 Cl4 Rh2 Si2 -
Comments: 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 139(3) (2017) 1296-1310
Space group: P 1 21/n 1
Cell volume: 1488.55
Cell parameters: 8.8158; 10.8021; 15.834; 90; 99.18; 90;  

COD ID: 4125412
CIF file Formula: - C30 H34 Cl4 Rh2 -
Comments: 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 139(3) (2017) 1296-1310
Space group: P -1
Cell volume: 2880.6
Cell parameters: 8.7569; 17.2308; 20.2703; 107.469; 90.3607; 98.5771;  

COD ID: 4125413
CIF file Formula: - C26 H42 Cl4 Rh2 -
Comments: 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 139(3) (2017) 1296-1310
Space group: C 1 2/c 1
Cell volume: 8837
Cell parameters: 22.258; 12.0838; 32.954; 90; 94.378; 90;  

COD ID: 4125414
CIF file Formula: - C23 H33 Cl13 Rh2 -
Comments: 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 139(3) (2017) 1296-1310
Space group: P 1 21/c 1
Cell volume: 3582.7
Cell parameters: 16.2813; 16.6938; 13.754; 90; 106.587; 90;  

COD ID: 4125415
CIF file Formula: - C30 H46 Cl4 Rh2 -
Comments: 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 139(3) (2017) 1296-1310
Space group: P 1 21/c 1
Cell volume: 1521.8
Cell parameters: 7.69; 11.9817; 16.7847; 90; 100.257; 90;  

COD ID: 4125416
CIF file Formula: - C32 H38 Cl4 Rh2 -
Comments: 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 139(3) (2017) 1296-1310
Space group: P 1 21/c 1
Cell volume: 1530.65
Cell parameters: 8.6256; 8.6786; 20.448; 90; 90.4595; 90;  

COD ID: 4125417
CIF file Formula: - C32 H38 Cl4 O2 Rh2 -
Comments: 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 139(3) (2017) 1296-1310
Space group: C 1 2/c 1
Cell volume: 6242.9
Cell parameters: 37.104; 8.7364; 20.2317; 90; 107.84; 90;  

COD ID: 4125418
CIF file Formula: - C20 H24 Cl10 Rh2 -
Comments: 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 139(3) (2017) 1296-1310
Space group: P -1
Cell volume: 1389.28
Cell parameters: 9.6416; 12.1709; 12.2625; 98.803; 101.711; 91.939;  

COD ID: 4125419
CIF file Formula: - C20 H24 Cl4 F6 Rh2 -
Comments: 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 139(3) (2017) 1296-1310
Space group: R -3 :H
Cell volume: 5658
Cell parameters: 28.244; 28.244; 8.1899; 90; 90; 120;  

COD ID: 4125420
CIF file Formula: - C32 H26 Cl10 F10 Rh2 -
Comments: 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 139(3) (2017) 1296-1310
Space group: P 1 21/c 1
Cell volume: 2282.64
Cell parameters: 14.185; 7.9695; 20.6751; 90; 102.411; 90;  

COD ID: 4125421
CIF file Formula: - C18 H26 Cl4 Rh2 -
Comments: 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 139(3) (2017) 1296-1310
Space group: P 1 21/n 1
Cell volume: 1013.59
Cell parameters: 8.9257; 7.2269; 16.0203; 90; 101.235; 90;  

COD ID: 4125422
CIF file Formula: - C16 H22 Cl4 Rh2 -
Comments: 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 139(3) (2017) 1296-1310
Space group: P 1 21/n 1
Cell volume: 913.2
Cell parameters: 9.8019; 6.9703; 13.8154; 90; 104.652; 90;  

COD ID: 4125423
CIF file Formula: - C24 H38 Cl4 Rh2 -
Comments: 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 139(3) (2017) 1296-1310
Space group: P -1
Cell volume: 647.3
Cell parameters: 8.32; 8.922; 9.425; 102.237; 106.68; 94.698;  

COD ID: 4125424
CIF file Formula: - C33 H32 Cl6 Rh1.5 -
Comments: 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 139(3) (2017) 1296-1310
Space group: P -1
Cell volume: 3135.34
Cell parameters: 14.9273; 15.2598; 16.0016; 102.193; 115.757; 95.4782;  

COD ID: 4125425
CIF file Formula: - C22 H28 Cl10 Rh2 -
Comments: 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 139(3) (2017) 1296-1310
Space group: P 1 21/c 1
Cell volume: 1476.57
Cell parameters: 7.2985; 23.3122; 9.2025; 90; 109.431; 90;  

COD ID: 4125426
CIF file Formula: - C26 H42 Cl4 Rh2 -
Comments: 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 139(3) (2017) 1296-1310
Space group: P 1 21/n 1
Cell volume: 1369.63
Cell parameters: 8.5293; 10.5886; 15.2966; 90; 97.5113; 90;  

COD ID: 4125427
CIF file Formula: - C40 H38 Cl4 Rh2 -
Comments: 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 139(3) (2017) 1296-1310
Space group: P 1 21/n 1
Cell volume: 1716.86
Cell parameters: 8.6286; 11.6386; 17.4135; 90; 100.959; 90;  

COD ID: 4125428
CIF file Formula: - C34 H30 Cl4 F12 Rh2 -
Comments: 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 139(3) (2017) 1296-1310
Space group: P -1
Cell volume: 926.31
Cell parameters: 8.8891; 9.1965; 11.9521; 86.86; 85.063; 72.177;  

COD ID: 4125429
CIF file Formula: - C28 H42 Cl4 Rh2 -
Comments: 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 139(3) (2017) 1296-1310
Space group: C 1 2/c 1
Cell volume: 2895.5
Cell parameters: 27.0507; 9.8673; 11.7807; 90; 112.954; 90;  

COD ID: 4125430
CIF file Formula: - C19 H21 N -
Comments: 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 139(8) (2017) 3209-3226
Space group: P 21 21 21
Cell volume: 1463.36
Cell parameters: 5.846; 14.9613; 16.7311; 90; 90; 90;  

COD ID: 4125431
CIF file Formula: - C11 H10 F2 O2 S -
Comments: 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 139(8) (2017) 3209-3226
Space group: P n a 21
Cell volume: 1046.1
Cell parameters: 6.7725; 13.8233; 11.1737; 90; 90; 90;  

COD ID: 4125432
CIF file Formula: - C16 H21 N -
Comments: 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 139(8) (2017) 3209-3226
Space group: P n a 21
Cell volume: 1319.8
Cell parameters: 26.797; 8.5062; 5.7903; 90; 90; 90;  

COD ID: 4125433
CIF file Formula: - C30 H33 F3 O4 S -
Comments: 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 139(8) (2017) 3209-3226
Space group: P 21 21 21
Cell volume: 2612.89
Cell parameters: 6.6458; 8.1522; 48.228; 90; 90; 90;  

COD ID: 4125434
CIF file Formula: - C18 H15 Br F2 O4 S -
Comments: 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 139(8) (2017) 3209-3226
Space group: P 21 21 21
Cell volume: 1758.76
Cell parameters: 10.4069; 12.6398; 13.3704; 90; 90; 90;  

COD ID: 4125435
CIF file Formula: - C20 H21 F2 N O2 S -
Comments: 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 139(8) (2017) 3209-3226
Space group: C 1 2 1
Cell volume: 3550.8
Cell parameters: 63.0115; 6.0061; 9.4791; 90; 98.186; 90;  

COD ID: 4125436
CIF file Formula: - C12 H14 F2 O5 S2 -
Comments: 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 139(8) (2017) 3209-3226
Space group: P 1 21 1
Cell volume: 1395.1
Cell parameters: 9.6649; 5.7972; 25.224; 90; 99.212; 90;  

COD ID: 4125437
CIF file Formula: - C18 H18 F2 O3 S2 -
Comments: 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 139(8) (2017) 3209-3226
Space group: P 1 21 1
Cell volume: 847.3
Cell parameters: 7.8306; 5.4318; 20.139; 90; 98.442; 90;  

COD ID: 4125438
CIF file Formula: - C11 H10 F2 O2 S -
Comments: 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 139(8) (2017) 3209-3226
Space group: P 21 21 21
Cell volume: 1047.42
Cell parameters: 6.7965; 11.0812; 13.9075; 90; 90; 90;  

COD ID: 4125439
CIF file Formula: - C15 H15 F3 N2 O2 S -
Comments: 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 139(8) (2017) 3209-3226
Space group: P 1 21 1
Cell volume: 758.25
Cell parameters: 10.9261; 5.0669; 14.3346; 90; 107.161; 90;  

COD ID: 4125440
CIF file Formula: - C22 H26 F2 N2 O2 S -
Comments: 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 139(8) (2017) 3209-3226
Space group: P 1 21 1
Cell volume: 2047.31
Cell parameters: 9.5529; 5.9734; 35.8785; 90; 90.348; 90;  

COD ID: 4125441
CIF file Formula: - C31 H44 B N2 -
Comments: 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 139(5) (2017) 1802-1805
Space group: P 1 21/n 1
Cell volume: 2804.6
Cell parameters: 12.86; 12.175; 18.825; 90; 107.91; 90;  

COD ID: 4125442
CIF file Formula: - C31 H44 B N O -
Comments: 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 139(5) (2017) 1802-1805
Space group: P -1
Cell volume: 1359.9
Cell parameters: 9.154; 9.287; 18.066; 101.655; 90.463; 114.635;  

COD ID: 4125443
CIF file Formula: - C35 H52 B N3 -
Comments: 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 139(5) (2017) 1802-1805
Space group: P 1 21/n 1
Cell volume: 3111.2
Cell parameters: 10.421; 19.936; 14.992; 90; 92.682; 90;  

COD ID: 4125444
CIF file Formula: - C35 H49 B N2 -
Comments: 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 139(5) (2017) 1802-1805
Space group: P -1
Cell volume: 1506.1
Cell parameters: 9.803; 10.599; 14.676; 82.401; 88.02; 85.37;  

COD ID: 4125445
CIF file Formula: - C30 H44 B N -
Comments: 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 139(5) (2017) 1802-1805
Space group: P 1 2/c 1
Cell volume: 2603.8
Cell parameters: 17.216; 9.185; 17.525; 90; 110.02; 90;  

COD ID: 4125446
CIF file Formula: - C48 H32 Cl2 Fe6 O30 -
Comments: 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 139(5) (2017) 1778-1781
Space group: F m -3 m
Cell volume: 69127
Cell parameters: 41.0408; 41.0408; 41.0408; 90; 90; 90;  

COD ID: 4125447
CIF file Formula: - C84 H52 Co3 Fe6 N6 O41 -
Comments: 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 139(5) (2017) 1778-1781
Space group: F m -3 m
Cell volume: 71683.4
Cell parameters: 41.5406; 41.5406; 41.5406; 90; 90; 90;  

COD ID: 4125448
CIF file Formula: - C84 H56 Co9 N6 O41 -
Comments: 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 139(5) (2017) 1778-1781
Space group: F m -3 m
Cell volume: 71632.6
Cell parameters: 41.5308; 41.5308; 41.5308; 90; 90; 90;  

COD ID: 4125449
CIF file Formula: - C30 H24 Br3 N O9 -
Comments: 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 139(9) (2017) 3528-3536
Space group: P 1 21 1
Cell volume: 1498.23
Cell parameters: 12.5748; 5.6465; 21.2806; 90; 97.453; 90;  

COD ID: 4125450
CIF file Formula: - C32 H35 Cl6 N3 O6 S -
Comments: 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 139(6) (2017) 2216-2223
Space group: P 1
Cell volume: 1722.72
Cell parameters: 9.157; 9.4895; 20.4389; 93.5118; 100.858; 97.4709;  

COD ID: 4125451
CIF file Formula: - C16 H24 N2 O3 S -
Comments: 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 139(6) (2017) 2216-2223
Space group: P 1 21/n 1
Cell volume: 1612
Cell parameters: 14.3182; 7.3622; 15.3001; 90; 91.8438; 90;  

COD ID: 4125452
CIF file Formula: - C23 H29 B O3 -
Comments: Benoit, Guillaume; Charette, André B Diastereoselective Borocyclopropanation of Allylic Ethers Using a Boromethylzinc Carbenoid. Journal of the American Chemical Society 139(4) (2017) 1364-1367
Space group: P 1 21/n 1
Cell volume: 2039.6
Cell parameters: 10.6749; 8.3751; 23.18; 90; 100.208; 90;  

COD ID: 4125453
CIF file Formula: - C32 H27 Br O6 -
Comments: Zhao, Guoqing; Xu, Guangqing; Qian, Chao; Tang, Wenjun Efficient Enantioselective Syntheses of (+)-Dalesconol A and B. Journal of the American Chemical Society 139(9) (2017) 3360-3363
Space group: P 21 21 21
Cell volume: 2612.66
Cell parameters: 10.4158; 12.3181; 20.3632; 90; 90; 90;  

COD ID: 4125454
CIF file Formula: - C45 H55 F6 N5 O15 Rh2 S2 -
Comments: 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 139(4) (2017) 1653-1660
Space group: P -1
Cell volume: 2585.6
Cell parameters: 12.043; 14.846; 15.764; 71.267; 78.309; 78.41;  

COD ID: 4125455
CIF file Formula: - C84 H92 F12 N8 O28 Rh4 S4 -
Comments: 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 139(4) (2017) 1653-1660
Space group: P 1 21/n 1
Cell volume: 9744
Cell parameters: 15.5584; 25.541; 25.687; 90; 107.332; 90;  

COD ID: 4125456
CIF file Formula: - C94 H92 F12 N8 O26 Rh4 S4 -
Comments: 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 139(4) (2017) 1653-1660
Space group: P -1
Cell volume: 6108.7
Cell parameters: 14.412; 20.181; 21.21; 92.724; 95.238; 95.152;  

COD ID: 4125457
CIF file Formula: - C105 H111 F12 N8 O30 Rh4 S4 -
Comments: 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 139(4) (2017) 1653-1660
Space group: P 1 21/n 1
Cell volume: 11676.8
Cell parameters: 16.0557; 35.685; 21.5588; 90; 109.033; 90;  

COD ID: 4125458
CIF file Formula: - C108 H118 F12 N8 O27 Rh4 S4 -
Comments: 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 139(4) (2017) 1653-1660
Space group: C 1 2/c 1
Cell volume: 13167.5
Cell parameters: 40.736; 14.9836; 24.2513; 90; 117.182; 90;  

COD ID: 4125459
CIF file Formula: - C120.33 H147.33 F12 N12 O41.33 Rh4 S4 -
Comments: 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 139(4) (2017) 1653-1660
Space group: P -1
Cell volume: 23565.8
Cell parameters: 23.8258; 27.4343; 40.6296; 93.922; 104.442; 111.411;  

COD ID: 4125460
CIF file Formula: - C145 H143 F12 N8 O32 Ru4 S4 -
Comments: 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 139(4) (2017) 1653-1660
Space group: P -1
Cell volume: 7177.1
Cell parameters: 20.056; 20.982; 20.994; 67.29; 69.595; 64.503;  

COD ID: 4125461
CIF file Formula: - C116 H144 F12 N8 O38 Rh4 S4 -
Comments: 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 139(4) (2017) 1653-1660
Space group: P 1 21/n 1
Cell volume: 13887.8
Cell parameters: 27.5131; 16.0386; 34.0114; 90; 112.28; 90;  

COD ID: 4125462
CIF file Formula: - C48 H67 Br N25 O12 -
Comments: 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 139(7) (2017) 2597-2603
Space group: P 1 21/c 1
Cell volume: 7203.49
Cell parameters: 19.3696; 15.3999; 24.2089; 90; 94.022; 90;  

COD ID: 4125463
CIF file Formula: - C17 H23 N O2 -
Comments: 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 139(9) (2017) 3546-3557
Space group: P 1 21/c 1
Cell volume: 1516
Cell parameters: 10.1842; 22.035; 6.8426; 90; 99.143; 90;  

COD ID: 4125464
CIF file Formula: - C17 H22 Br N O2 -
Comments: 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 139(9) (2017) 3546-3557
Space group: P 1 21/n 1
Cell volume: 1650.4
Cell parameters: 6.4581; 20.914; 12.284; 90; 95.867; 90;  

COD ID: 4125465
CIF file Formula: - C17 H22 I N O2 -
Comments: 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 139(9) (2017) 3546-3557
Space group: P -1
Cell volume: 849.13
Cell parameters: 9.6103; 9.9716; 10.1536; 75.6; 84.472; 64.298;  

COD ID: 4125466
CIF file Formula: - C65.5 H60 B F24 Mo N3 O P2 -
Comments: 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 139(8) (2017) 2916-2919
Space group: P -1
Cell volume: 3309.9
Cell parameters: 13.1536; 13.9867; 19.6553; 103.578; 107.187; 95.011;  

COD ID: 4125467
CIF file Formula: - C79 H82 B F24 Mo N3 O P2 -
Comments: 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 139(8) (2017) 2916-2919
Space group: P 21 21 21
Cell volume: 7947.7
Cell parameters: 18.6539; 20.3751; 20.911; 90; 90; 90;  

COD ID: 4125468
CIF file Formula: - C62 H81 B O2 Th -
Comments: 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 139(9) (2017) 3387-3398
Space group: P 1 21/n 1
Cell volume: 5235.2
Cell parameters: 14.0198; 12.6245; 29.5965; 90; 92.0068; 90;  

COD ID: 4125469
CIF file Formula: - C30 H45 Th -
Comments: 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 139(9) (2017) 3387-3398
Space group: P 63/m
Cell volume: 1339.8
Cell parameters: 10.017; 10.017; 15.418; 90; 90; 120;  

COD ID: 4125470
CIF file Formula: - C31 H48 Th -
Comments: 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 139(9) (2017) 3387-3398
Space group: P 63/m
Cell volume: 1351.5
Cell parameters: 10.0524; 10.0524; 15.4433; 90; 90; 120;  

COD ID: 4125471
CIF file Formula: - C20 H18 N O -
Comments: 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 139(8) (2017) 2924-2927
Space group: P c a 21
Cell volume: 1568.88
Cell parameters: 13.96917; 7.51073; 14.95331; 90; 90; 90;  

COD ID: 4125472
CIF file Formula: - C69.97 H60 O2 P2 S16 V -
Comments: 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 139(8) (2017) 3196-3201
Space group: P -1
Cell volume: 3605.6
Cell parameters: 12.86; 13.2615; 22.4444; 92.528; 94.167; 108.759;  

COD ID: 4125473
CIF file Formula: - C54 H52 O P2 S4 V -
Comments: 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 139(8) (2017) 3196-3201
Space group: P 1 21 1
Cell volume: 4714.6
Cell parameters: 11.0523; 15.3821; 27.7478; 90; 91.969; 90;  

COD ID: 4125474
CIF file Formula: - C62 H58.49 N2 O P2 S8 V -
Comments: 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 139(8) (2017) 3196-3201
Space group: P -1
Cell volume: 2916
Cell parameters: 10.663; 12.686; 22.853; 103.838; 98.039; 98.816;  

COD ID: 4125475
CIF file Formula: - C14 H12 O2 -
Comments: 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 139(8) (2017) 2896-2899
Space group: P b c a
Cell volume: 2178.1
Cell parameters: 7.5565; 16.3552; 17.6239; 90; 90; 90;  

COD ID: 4125476
CIF file Formula: - C27 H36 Br N3 O6 -
Comments: 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 139(9) (2017) 3364-3367
Space group: C 1 2 1
Cell volume: 2637.3
Cell parameters: 32.039; 8.102; 10.3858; 90; 101.971; 90;  

COD ID: 4125477
CIF file Formula: - C32 H33 Br N2 O4 S -
Comments: 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 139(9) (2017) 3364-3367
Space group: P 21 21 21
Cell volume: 2929.1
Cell parameters: 10.557; 11.967; 23.185; 90; 90; 90;  

COD ID: 4125478
CIF file Formula: - C19.5 H33.5 N4 O3 S Si -
Comments: 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 139(6) (2017) 2484-2503
Space group: P 1 21/c 1
Cell volume: 4804.3
Cell parameters: 8.0108; 16.3497; 36.6816; 90; 90.004; 90;  

COD ID: 4125479
CIF file Formula: - C44 H32 Fe2 N24 O6 Pd2 -
Comments: 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 139(3) (2017) 1330-1335
Space group: P 1 21/n 1
Cell volume: 5160
Cell parameters: 26.48; 7.2231; 28.774; 90; 110.34; 90;  

COD ID: 4125480
CIF file Formula: - C22 H16 Fe N12 O3 Pd -
Comments: 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 139(3) (2017) 1330-1335
Space group: C 1 2/c 1
Cell volume: 5246.6
Cell parameters: 26.5529; 7.2804; 28.9809; 90; 110.53; 90;  

COD ID: 4125481
CIF file Formula: - C24 H16 Fe N12 O2 Pd -
Comments: 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 139(3) (2017) 1330-1335
Space group: C 1 2/c 1
Cell volume: 5447.4
Cell parameters: 26.5335; 7.4453; 29.3511; 90; 110.036; 90;  

COD ID: 4125482
CIF file Formula: - C324 H216 N40 Ru6 -
Comments: 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 139(8) (2017) 3012-3020
Space group: R -3
Cell volume: 77128
Cell parameters: 30.4451; 30.4451; 96.083; 90; 90; 120;  

COD ID: 4125483
CIF file Formula: - C19 H20 N2 O2 -
Comments: 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 139(2) (2017) 623-626
Space group: P 1 21/c 1
Cell volume: 3339.86
Cell parameters: 13.2314; 8.5991; 29.3542; 90; 90.098; 90;  

COD ID: 4125484
CIF file Formula: - C55 H60 O5 -
Comments: 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 139(8) (2017) 3106-3114
Space group: P 32 2 1
Cell volume: 3531.2
Cell parameters: 25.4957; 25.4957; 6.2727; 90; 90; 120;  

COD ID: 4125485
CIF file Formula: - C21 H24 O3 -
Comments: 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 139(8) (2017) 3106-3114
Space group: P 1 21/c 1
Cell volume: 1722.6
Cell parameters: 10.4271; 14.8854; 12.0952; 90; 113.424; 90;  

COD ID: 4125486
CIF file Formula: - C34 H32 O4 -
Comments: 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 139(8) (2017) 3106-3114
Space group: C 1 c 1
Cell volume: 12890.9
Cell parameters: 36.947; 9.7771; 38.2483; 90; 111.093; 90;  

COD ID: 4125488
CIF file Formula: - C33 H45 B N2 O4 -
Comments: 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 139(5) (2017) 1726-1729
Space group: P 1 21/c 1
Cell volume: 3383.63
Cell parameters: 12.1941; 17.2572; 16.8432; 90; 107.324; 90;  

COD ID: 4125489
CIF file Formula: - C33 H45 B N2 O4 -
Comments: 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 139(5) (2017) 1726-1729
Space group: P 1 21/c 1
Cell volume: 3265.4
Cell parameters: 11.681; 14.3215; 19.9387; 90; 101.768; 90;  

COD ID: 4125490
CIF file Formula: - C27 H33 B N2 O4 -
Comments: 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 139(5) (2017) 1726-1729
Space group: P 1 21/c 1
Cell volume: 5078.2
Cell parameters: 18.9996; 16.0499; 18.9296; 90; 118.389; 90;  

COD ID: 4125491
CIF file Formula: - C15 H25 B N2 O4 -
Comments: 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 139(5) (2017) 1726-1729
Space group: P 1 21/n 1
Cell volume: 1772.86
Cell parameters: 13.2934; 8.5248; 15.9325; 90; 100.915; 90;  

COD ID: 4125492
CIF file Formula: - C9 H11 N2 O3 S -
Comments: 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 139(5) (2017) 1856-1862
Space group: P b c a
Cell volume: 2096.9
Cell parameters: 7.3996; 7.6266; 37.156; 90; 90; 90;  

COD ID: 4125493
CIF file Formula: - C9 H10 N O3 S -
Comments: 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 139(5) (2017) 1856-1862
Space group: P b c a
Cell volume: 2022.09
Cell parameters: 7.3346; 7.5087; 36.7164; 90; 90; 90;  

COD ID: 4125494
CIF file Formula: - C9 H9 N2 O5 S -
Comments: 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 139(5) (2017) 1856-1862
Space group: P -1
Cell volume: 523.15
Cell parameters: 5.4297; 9.1562; 10.8346; 93.508; 97.284; 100.633;  

COD ID: 4125495
CIF file Formula: - C9 H10 N O4 S -
Comments: 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 139(5) (2017) 1856-1862
Space group: P b c n
Cell volume: 1930.8
Cell parameters: 11.1336; 15.7206; 11.0314; 90; 90; 90;  

COD ID: 4125496
CIF file Formula: - C28 H26 N2 O8 S2 -
Comments: 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 139(5) (2017) 1856-1862
Space group: P -1
Cell volume: 1366.93
Cell parameters: 7.0851; 7.8518; 24.8513; 95.667; 95.177; 93.368;  

COD ID: 4125497
CIF file Formula: - C26 H28 N4 O6 S2 -
Comments: 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 139(5) (2017) 1856-1862
Space group: P 1 21/n 1
Cell volume: 2772.21
Cell parameters: 17.462; 7.1855; 22.0942; 90; 90.221; 90;  

COD ID: 4125498
CIF file Formula: - C19 H20 N2 O3 S -
Comments: 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 139(5) (2017) 1856-1862
Space group: P 1 2/c 1
Cell volume: 1801.9
Cell parameters: 11.036; 5.946; 27.498; 90; 93.037; 90;  

COD ID: 4125499
CIF file Formula: - C28 H32 N2 O8 S2 -
Comments: 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 139(5) (2017) 1856-1862
Space group: C 1 2/c 1
Cell volume: 2794
Cell parameters: 21.814; 5.665; 23.078; 90; 101.57; 90;  

COD ID: 4125500
CIF file Formula: - C24 H26 N4 O6 S2 -
Comments: 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 139(5) (2017) 1856-1862
Space group: P -1
Cell volume: 619.6
Cell parameters: 6.8608; 7.4854; 12.4733; 94.583; 100.837; 97.837;  

COD ID: 4125501
CIF file Formula: - C11 H13 N O3 S -
Comments: 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 139(5) (2017) 1856-1862
Space group: P 1 21/n 1
Cell volume: 1130.3
Cell parameters: 9.6831; 6.95; 16.999; 90; 98.873; 90;  

COD ID: 4125502
CIF file Formula: - C13 H15 N3 O5 S -
Comments: 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 139(5) (2017) 1856-1862
Space group: P 21 21 21
Cell volume: 1456.27
Cell parameters: 6.7115; 12.5511; 17.2878; 90; 90; 90;  

COD ID: 4125503
CIF file Formula: - C26 H16 N2 Pd -
Comments: 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 139(3) (2017) 1069-1072
Space group: P 1 21/c 1
Cell volume: 3527
Cell parameters: 20.179; 7.3128; 24.983; 90; 106.921; 90;  

COD ID: 4125504
CIF file Formula: - C29 H23 B Br2 -
Comments: Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias Facile Route to Quadruply Annulated Borepins. Journal of the American Chemical Society 139(7) (2017) 2842-2851
Space group: C 1 2/c 1
Cell volume: 2371.9
Cell parameters: 14.577; 21.308; 7.6497; 90; 93.398; 90;  

COD ID: 4125505
CIF file Formula: - C33 H23 B Br2 -
Comments: Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias Facile Route to Quadruply Annulated Borepins. Journal of the American Chemical Society 139(7) (2017) 2842-2851
Space group: P -1
Cell volume: 1274.8
Cell parameters: 8.5016; 10.3643; 14.9812; 81.866; 85.884; 77.541;  

COD ID: 4125506
CIF file Formula: - C26 H17 B Br2 -
Comments: Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias Facile Route to Quadruply Annulated Borepins. Journal of the American Chemical Society 139(7) (2017) 2842-2851
Space group: P 1 21/c 1
Cell volume: 2042.89
Cell parameters: 18.4101; 13.605; 8.2544; 90; 98.845; 90;  

COD ID: 4125507
CIF file Formula: - C30.5 H21.5 B Br2 Cl1.5 -
Comments: Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias Facile Route to Quadruply Annulated Borepins. Journal of the American Chemical Society 139(7) (2017) 2842-2851
Space group: P b c n
Cell volume: 5100.75
Cell parameters: 29.3271; 8.3264; 20.8885; 90; 90; 90;  

COD ID: 4125508
CIF file Formula: - C29 H23 B -
Comments: Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias Facile Route to Quadruply Annulated Borepins. Journal of the American Chemical Society 139(7) (2017) 2842-2851
Space group: P 1 21/n 1
Cell volume: 2031
Cell parameters: 15.526; 9.0436; 15.7165; 90; 113.022; 90;  

COD ID: 4125509
CIF file Formula: - C36 H34 B -
Comments: Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias Facile Route to Quadruply Annulated Borepins. Journal of the American Chemical Society 139(7) (2017) 2842-2851
Space group: P -1
Cell volume: 1339.5
Cell parameters: 8.8813; 11.36; 13.4459; 93.38; 97.697; 93.021;  

COD ID: 4125510
CIF file Formula: - C30 H40 Cl Mn N5 O11 -
Comments: 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 139(4) (2017) 1472-1484
Space group: P 1 21/c 1
Cell volume: 3557.4
Cell parameters: 9.1273; 21.7763; 17.9055; 90; 91.652; 90;  

COD ID: 4125511
CIF file Formula: - C480 H582 Ag44.66 Au5.34 P12 S30 -
Comments: 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 139(4) (2017) 1618-1624
Space group: P -1
Cell volume: 13795.5
Cell parameters: 25.878; 26.0327; 26.5129; 61.613; 75.949; 61.416;  

COD ID: 4125512
CIF file Formula: - C480 H582 Ag50 P12 S30 -
Comments: 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 139(4) (2017) 1618-1624
Space group: P -1
Cell volume: 14392.3
Cell parameters: 26.2512; 26.6936; 26.7376; 76.576; 60.718; 61.726;  

COD ID: 4125513
CIF file Formula: - C26 H22 B2 N4 O4 -
Comments: 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 139(7) (2017) 2710-2727
Space group: P -1
Cell volume: 585.8
Cell parameters: 7.4283; 8.3837; 10.8769; 95.785; 103.104; 114.473;  

COD ID: 4125514
CIF file Formula: - C14 H11 B Cl2 N2 O2 -
Comments: 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 139(7) (2017) 2710-2727
Space group: P 1 21/c 1
Cell volume: 1508
Cell parameters: 13.0892; 13.9674; 8.3002; 90; 96.4; 90;  

COD ID: 4125515
CIF file Formula: - C26 H20 B2 Br2 N4 O4 -
Comments: 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 139(7) (2017) 2710-2727
Space group: P -1
Cell volume: 654.2
Cell parameters: 6.8541; 9.8549; 10.772; 114.154; 93.533; 96.875;  

COD ID: 4125516
CIF file Formula: - C18 H15 B N2 O2 -
Comments: 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 139(7) (2017) 2710-2727
Space group: P 1 21/n 1
Cell volume: 1549.7
Cell parameters: 9.3053; 12.7855; 13.0268; 90; 90.721; 90;  

COD ID: 4125517
CIF file Formula: - C18 H13 B Cl2 N2 O2 -
Comments: 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 139(7) (2017) 2710-2727
Space group: P 1 21/c 1
Cell volume: 1735.85
Cell parameters: 10.5129; 12.6999; 13.1644; 90; 99.026; 90;  

COD ID: 4125518
CIF file Formula: - C34 H26 B2 N4 O4 -
Comments: 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 139(7) (2017) 2710-2727
Space group: P -1
Cell volume: 846.82
Cell parameters: 6.8485; 8.6631; 14.9105; 104.365; 92.714; 97.449;  

COD ID: 4125519
CIF file Formula: - C21 H21 B N2 O2 -
Comments: 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 139(7) (2017) 2710-2727
Space group: P 1 2/c 1
Cell volume: 3822.1
Cell parameters: 26.2971; 7.0717; 22.6474; 90; 114.836; 90;  

COD ID: 4125520
CIF file Formula: - C14 H12 B F N2 O2 -
Comments: 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 139(7) (2017) 2710-2727
Space group: P 1 21/c 1
Cell volume: 1363
Cell parameters: 12.354; 8.628; 14.2421; 90; 116.121; 90;  

COD ID: 4125521
CIF file Formula: - C14 H10 B F3 N2 O2 -
Comments: 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 139(7) (2017) 2710-2727
Space group: P 1 21/c 1
Cell volume: 1387
Cell parameters: 3.8701; 12.5606; 28.597; 90; 93.811; 90;  

COD ID: 4125522
CIF file Formula: - C18 H14 B Cl N2 O2 -
Comments: 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 139(7) (2017) 2710-2727
Space group: P -1
Cell volume: 822.32
Cell parameters: 8.0142; 9.9714; 11.2985; 91.268; 109.233; 103.936;  

COD ID: 4125523
CIF file Formula: - C15 H15 B N2 O3 -
Comments: 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 139(7) (2017) 2710-2727
Space group: P 1 21/n 1
Cell volume: 1499.39
Cell parameters: 10.1397; 12.3561; 12.7615; 90; 110.316; 90;  

COD ID: 4125524
CIF file Formula: - C15 H15 B N2 O2 S -
Comments: 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 139(7) (2017) 2710-2727
Space group: P b c n
Cell volume: 9140.8
Cell parameters: 24.7752; 13.4269; 27.4783; 90; 90; 90;  

COD ID: 4125525
CIF file Formula: - C17 H19 B N2 O2 -
Comments: 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 139(7) (2017) 2710-2727
Space group: P 1 21/c 1
Cell volume: 1635.76
Cell parameters: 7.6712; 19.9377; 10.8372; 90; 99.292; 90;  

COD ID: 4125526
CIF file Formula: - C26 H20 B2 Cl2 N4 O4 -
Comments: 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 139(7) (2017) 2710-2727
Space group: P -1
Cell volume: 632.96
Cell parameters: 6.757; 9.7827; 10.5456; 112.762; 94.006; 96.904;  

COD ID: 4125527
CIF file Formula: - C20 H16 B2 N4 O4 -
Comments: 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 139(7) (2017) 2710-2727
Space group: P 1 2/c 1
Cell volume: 1028.26
Cell parameters: 8.9934; 15.8317; 7.2226; 90; 90.808; 90;  

COD ID: 4125528
CIF file Formula: - C18 H13 B Br2 N2 O2 -
Comments: 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 139(7) (2017) 2710-2727
Space group: P 1 21/c 1
Cell volume: 1809.5
Cell parameters: 10.4157; 12.9098; 13.575; 90; 97.56; 90;  

COD ID: 4125529
CIF file Formula: - C14 H11 B F2 N2 O2 -
Comments: 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 139(7) (2017) 2710-2727
Space group: P 1 21/c 1
Cell volume: 1406.44
Cell parameters: 6.7753; 24.5789; 9.48; 90; 117.015; 90;  

COD ID: 4125530
CIF file Formula: - C16 H15 Br O -
Comments: 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 139(3) (2017) 1049-1052
Space group: P 21 21 21
Cell volume: 1341.47
Cell parameters: 5.2682; 13.5894; 18.7378; 90; 90; 90;  

COD ID: 4125531
CIF file Formula: - C84 H86 Cl4 Cr2 O4 P4 Rh2 -
Comments: 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 139(4) (2017) 1545-1553
Space group: P 1 21/c 1
Cell volume: 7878
Cell parameters: 19.777; 16.145; 25.463; 90; 104.312; 90;  

COD ID: 4125532
CIF file Formula: - C40 H38 Cr O2 P2 -
Comments: 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 139(4) (2017) 1545-1553
Space group: P 21 21 21
Cell volume: 3546.6
Cell parameters: 8.189; 18.7027; 23.157; 90; 90; 90;  

COD ID: 4125533
CIF file Formula: - C22 H25 N O3 -
Comments: 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 139(8) (2017) 2956-2959
Space group: P 1 21/n 1
Cell volume: 1872.7
Cell parameters: 11.193; 7.1614; 23.653; 90; 98.978; 90;  

COD ID: 4125535
CIF file Formula: - C148 H136 Cl12 -
Comments: 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 139(8) (2017) 3259-3264
Space group: I 41/a
Cell volume: 18258.4
Cell parameters: 18.9935; 18.9935; 50.612; 90; 90; 90;  

COD ID: 4125536
CIF file Formula: - C16 H35 N7 Ni O6 -
Comments: 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 139(6) (2017) 2234-2244
Space group: P 43
Cell volume: 4332.3
Cell parameters: 13.407; 13.407; 24.102; 90; 90; 90;  

COD ID: 4125537
CIF file Formula: - C14 H32 Co N6 O6 -
Comments: 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 139(6) (2017) 2234-2244
Space group: P n a 21
Cell volume: 1925.52
Cell parameters: 17.067; 12.9148; 8.7358; 90; 90; 90;  

COD ID: 4125538
CIF file Formula: - C22 H18 O -
Comments: 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 139(8) (2017) 2960-2963
Space group: P -1
Cell volume: 791.35
Cell parameters: 7.8523; 9.3906; 11.5779; 77.261; 84.541; 71.939;  

COD ID: 4125539
CIF file Formula: - C24 H16 N2 O6 -
Comments: 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 139(6) (2017) 2140-2143
Space group: P 21 21 21
Cell volume: 2032.58
Cell parameters: 6.75939; 10.99247; 27.3555; 90; 90; 90;  

COD ID: 4125540
CIF file Formula: - C19 H14 Br N O4 -
Comments: 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 139(6) (2017) 2140-2143
Space group: P 31
Cell volume: 3926.63
Cell parameters: 18.09886; 18.09886; 13.84162; 90; 90; 120;  

COD ID: 4125541
CIF file Formula: - C19 H12 Br N O4 -
Comments: 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 139(6) (2017) 2140-2143
Space group: P 1 21 1
Cell volume: 825.372
Cell parameters: 9.95597; 7.08249; 11.73782; 90; 94.2701; 90;  

COD ID: 4125542
CIF file Formula: - C18 H26 B2 F2 O4 -
Comments: 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 139(7) (2017) 2728-2733
Space group: C 1 2/c 1
Cell volume: 1917
Cell parameters: 21.544; 7.164; 12.564; 90; 98.611; 90;  

COD ID: 4125543
CIF file Formula: - C10 H12 B2 O4 -
Comments: 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 139(7) (2017) 2728-2733
Space group: P 1 21/c 1
Cell volume: 1013.2
Cell parameters: 12.799; 7.758; 10.736; 90; 108.119; 90;  

COD ID: 4125544
CIF file Formula: - C20 H32 B2 O4 -
Comments: 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 139(7) (2017) 2728-2733
Space group: P 1 21/n 1
Cell volume: 1039.16
Cell parameters: 6.5342; 14.3432; 11.1367; 90; 95.372; 90;  

COD ID: 4125545
CIF file Formula: - C124 H116 N12 O12 -
Comments: 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 139(9) (2017) 3348-3351
Space group: P 1 21 1
Cell volume: 12323.2
Cell parameters: 17.3782; 24.308; 29.6232; 90; 100.01; 90;  

COD ID: 4125546
CIF file Formula: - C120 H102 N16 O20 -
Comments: 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 139(9) (2017) 3348-3351
Space group: C 2 2 21
Cell volume: 12384.4
Cell parameters: 17.0811; 33.4347; 21.6852; 90; 90; 90;  

COD ID: 4125547
CIF file Formula: - C116.95 H107.85 N12 O12 -
Comments: 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 139(9) (2017) 3348-3351
Space group: P -1
Cell volume: 11490.5
Cell parameters: 18.6825; 24.9889; 26.0603; 75.543; 77.656; 89.992;  

COD ID: 4125548
CIF file Formula: - C106 H96 Co3 N14 O12 -
Comments: 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 139(8) (2017) 2948-2951
Space group: P 1 21 1
Cell volume: 4675.6
Cell parameters: 12.489; 27.457; 14.1; 90; 104.753; 90;  

COD ID: 4125551
CIF file Formula: - C197.83 H311.84 B4 Fe4 K8 O9.96 P12 -
Comments: 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 139(7) (2017) 2561-2564
Space group: P 1 21/c 1
Cell volume: 20637
Cell parameters: 18.8485; 41.389; 26.821; 90; 99.494; 90;  

COD ID: 4125552
CIF file Formula: - C41 H64.03 B Fe K O2 P3 -
Comments: 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 139(7) (2017) 2561-2564
Space group: P 1 21/n 1
Cell volume: 4484.6
Cell parameters: 14.965; 19.074; 16.191; 90; 103.987; 90;  

COD ID: 4125553
CIF file Formula: - C53 H87 B Fe K O5 P3 -
Comments: 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 139(7) (2017) 2561-2564
Space group: P 1 21/c 1
Cell volume: 5194.1
Cell parameters: 11.2309; 23.142; 20.143; 90; 97.191; 90;  

COD ID: 4125554
CIF file Formula: - C37 H55 B Fe O P3 -
Comments: 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 139(7) (2017) 2561-2564
Space group: P 1 21/c 1
Cell volume: 3486.3
Cell parameters: 10.9781; 15.8664; 20.543; 90; 103.016; 90;  

COD ID: 4125555
CIF file Formula: - C41.31 H68.26 B Fe O1.32 P3 Si -
Comments: 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 139(7) (2017) 2561-2564
Space group: P -1
Cell volume: 2157.9
Cell parameters: 10.9056; 11.3906; 20.2061; 78.666; 78.736; 62.016;  

COD ID: 4125558
CIF file Formula: - C336 H144 La4 N12 Ni3 -
Comments: 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 139(13) (2017) 4724-4728
Space group: C 1 2/m 1
Cell volume: 10205
Cell parameters: 25.597; 15.54; 27.911; 90; 113.193; 90;  

COD ID: 4125559
CIF file Formula: - C142 H54 Cl2 La2 N4 Ni -
Comments: 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 139(13) (2017) 4724-4728
Space group: C 1 2/m 1
Cell volume: 8177.6
Cell parameters: 25.684; 14.9762; 21.4659; 90; 97.945; 90;  

COD ID: 4125560
CIF file Formula: - C35.5 H27 Cl3 F6 Ir N4 P S -
Comments: 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 139(8) (2017) 3237-3248
Space group: P 1 21/c 1
Cell volume: 3587.4
Cell parameters: 14.4951; 13.7676; 18.7348; 90; 106.359; 90;  

COD ID: 4125561
CIF file Formula: - C27 H25 N5 O Pd -
Comments: 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 139(3) (2017) 1325-1329
Space group: P 1 21/c 1
Cell volume: 2317.6
Cell parameters: 9.3852; 11.2499; 21.9773; 90; 92.826; 90;  

COD ID: 4125562
CIF file Formula: - C60 H66 Si2 -
Comments: 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 139(5) (2017) 1806-1809
Space group: P 1 21/n 1
Cell volume: 2357
Cell parameters: 8.3902; 21.3216; 13.1829; 90; 91.952; 90;  

COD ID: 4125563
CIF file Formula: - C34 H46 Cl2 N8 O7 S5 -
Comments: 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 139(19) (2017) 6605-6610
Space group: P 1 21 1
Cell volume: 2401.07
Cell parameters: 9.1847; 26.7032; 9.8011; 90; 92.742; 90;  

COD ID: 4125564
CIF file Formula: - C36 H28 I2 N8 O8 S6 -
Comments: 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 139(19) (2017) 6605-6610
Space group: P 1
Cell volume: 2436
Cell parameters: 10.1456; 14.9723; 17.5828; 65.938; 87.435; 88.087;  

COD ID: 4125565
CIF file Formula: - C12 H22 N2 Se -
Comments: 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 139(6) (2017) 2296-2305
Space group: P 1 21/c 1
Cell volume: 1284.23
Cell parameters: 11.9413; 10.41973; 10.43; 90; 98.2799; 90;  

COD ID: 4125566
CIF file Formula: - C9 H18 N2 Se -
Comments: 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 139(6) (2017) 2296-2305
Space group: P 1 21/n 1
Cell volume: 1071.26
Cell parameters: 6.2032; 9.9913; 17.2951; 90; 92.004; 90;  

COD ID: 4125567
CIF file Formula: - C13 H26 N2 Se -
Comments: 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 139(6) (2017) 2296-2305
Space group: P 1 21/n 1
Cell volume: 1476.99
Cell parameters: 11.35852; 12.23104; 11.94506; 90; 117.123; 90;  

COD ID: 4125568
CIF file Formula: - C11 H22 N2 Se -
Comments: 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 139(6) (2017) 2296-2305
Space group: P c a 21
Cell volume: 1327.29
Cell parameters: 11.934; 9.8566; 11.2837; 90; 90; 90;  

COD ID: 4125569
CIF file Formula: - C13 H22 N2 Se -
Comments: 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 139(6) (2017) 2296-2305
Space group: P n a 21
Cell volume: 1394.09
Cell parameters: 10.16777; 13.46789; 10.1804; 90; 90; 90;  

COD ID: 4125570
CIF file Formula: - C9 H18 N2 Se -
Comments: 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 139(6) (2017) 2296-2305
Space group: P 1 21/c 1
Cell volume: 1069.35
Cell parameters: 10.58561; 10.51744; 9.66073; 90; 96.1599; 90;  

COD ID: 4125571
CIF file Formula: - C11 H20 N2 Se -
Comments: 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 139(6) (2017) 2296-2305
Space group: P b c a
Cell volume: 2359.98
Cell parameters: 9.1761; 10.9659; 23.4534; 90; 90; 90;  

COD ID: 4125572
CIF file Formula: - C11 H22 N2 Se -
Comments: 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 139(6) (2017) 2296-2305
Space group: P n a 21
Cell volume: 1255.23
Cell parameters: 20.94407; 9.68682; 6.187; 90; 90; 90;  

COD ID: 4125573
CIF file Formula: - C10 H20 N2 Se -
Comments: 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 139(6) (2017) 2296-2305
Space group: P b c a
Cell volume: 2338.96
Cell parameters: 11.4233; 10.80265; 18.95402; 90; 90; 90;  

COD ID: 4125574
CIF file Formula: - C15 H30 N2 Se -
Comments: 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 139(6) (2017) 2296-2305
Space group: P n a 21
Cell volume: 1683.5
Cell parameters: 13.4556; 20.0405; 6.243; 90; 90; 90;  

COD ID: 4125575
CIF file Formula: - C9 H18 N2 Se -
Comments: 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 139(6) (2017) 2296-2305
Space group: P 1 21/c 1
Cell volume: 1081.58
Cell parameters: 11.4123; 9.6891; 9.83; 90; 95.698; 90;  

COD ID: 4125576
CIF file Formula: - C5 H12 N2 Se -
Comments: 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 139(6) (2017) 2296-2305
Space group: C 1 2/c 1
Cell volume: 761.65
Cell parameters: 5.4557; 12.6064; 11.1113; 90; 94.681; 90;  

COD ID: 4125577
CIF file Formula: - C16 H22 N2 Se -
Comments: 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 139(6) (2017) 2296-2305
Space group: P 1 21/n 1
Cell volume: 1500.37
Cell parameters: 14.2487; 6.0376; 17.5143; 90; 95.262; 90;  

COD ID: 4125578
CIF file Formula: - C7 H16 N2 Se -
Comments: 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 139(6) (2017) 2296-2305
Space group: P 1 21/n 1
Cell volume: 925.72
Cell parameters: 6.22247; 10.03939; 15.0636; 90; 100.345; 90;  

COD ID: 4125579
CIF file Formula: - C12 H22 N2 Se -
Comments: 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 139(6) (2017) 2296-2305
Space group: P 1 21/c 1
Cell volume: 2586.62
Cell parameters: 24.2552; 9.97679; 10.9577; 90; 102.715; 90;  

COD ID: 4125580
CIF file Formula: - C24 H50 N2 Ni Si2 -
Comments: Palmer, W. Neil; Zarate, Cayetana; Chirik, Paul J. Benzyltriboronates: Building Blocks for Diastereoselective Carbon-Carbon Bond Formation. Journal of the American Chemical Society 139(7) (2017) 2589-2592
Space group: P 1 21/c 1
Cell volume: 2762.15
Cell parameters: 13.8039; 10.8191; 19.1497; 90; 105.025; 90;  

COD ID: 4125581
CIF file Formula: - C32 H56 N4 Ni -
Comments: Palmer, W. Neil; Zarate, Cayetana; Chirik, Paul J. Benzyltriboronates: Building Blocks for Diastereoselective Carbon-Carbon Bond Formation. Journal of the American Chemical Society 139(7) (2017) 2589-2592
Space group: P -1
Cell volume: 1541.49
Cell parameters: 10.3974; 11.1012; 15.5433; 71.692; 80.489; 64.912;  

COD ID: 4125582
CIF file Formula: - C25 H40 B2 O6 -
Comments: Palmer, W. Neil; Zarate, Cayetana; Chirik, Paul J. Benzyltriboronates: Building Blocks for Diastereoselective Carbon-Carbon Bond Formation. Journal of the American Chemical Society 139(7) (2017) 2589-2592
Space group: P 1 21/c 1
Cell volume: 2590.5
Cell parameters: 10.7916; 12.1449; 19.7733; 90; 91.615; 90;  

COD ID: 4125583
CIF file Formula: - C32 H45 B2 F O6 -
Comments: Palmer, W. Neil; Zarate, Cayetana; Chirik, Paul J. Benzyltriboronates: Building Blocks for Diastereoselective Carbon-Carbon Bond Formation. Journal of the American Chemical Society 139(7) (2017) 2589-2592
Space group: C 1 2/c 1
Cell volume: 6249.6
Cell parameters: 38.3946; 10.3577; 17.4348; 90; 115.662; 90;  

COD ID: 4125586
CIF file Formula: - C90 H111 Au B F24 P3 Pt -
Comments: Campos, Jesús Dihydrogen and Acetylene Activation by a Gold(I)/Platinum(0) Transition Metal Only Frustrated Lewis Pair. Journal of the American Chemical Society 139(8) (2017) 2944-2947
Space group: P -1
Cell volume: 4704.5
Cell parameters: 12.8836; 17.8107; 21.6813; 95.049; 106.674; 95.903;  

COD ID: 4125587
CIF file Formula: - C64 H103 Au F6 N O4 P3 Pt S2 -
Comments: Campos, Jesús Dihydrogen and Acetylene Activation by a Gold(I)/Platinum(0) Transition Metal Only Frustrated Lewis Pair. Journal of the American Chemical Society 139(8) (2017) 2944-2947
Space group: C 1 c 1
Cell volume: 7109.3
Cell parameters: 17.7729; 18.5761; 22.1488; 90; 103.537; 90;  

COD ID: 4125588
CIF file Formula: - C60 H99 Au F6 N O4 P3 Pt S2 -
Comments: Campos, Jesús Dihydrogen and Acetylene Activation by a Gold(I)/Platinum(0) Transition Metal Only Frustrated Lewis Pair. Journal of the American Chemical Society 139(8) (2017) 2944-2947
Space group: P 1 21/c 1
Cell volume: 6659.7
Cell parameters: 26.743; 12.8498; 20.3054; 90; 107.367; 90;  

COD ID: 4125589
CIF file Formula: - C23 H26 N2 O Si -
Comments: 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 139(6) (2017) 2192-2195
Space group: P 1 21 1
Cell volume: 2008.88
Cell parameters: 9.5002; 12.7386; 16.6006; 90; 90.605; 90;  

COD ID: 4125590
CIF file Formula: - C23 H29 B F4 O2 -
Comments: 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 139(5) (2017) 2053-2059
Space group: R -3
Cell volume: 10458
Cell parameters: 27.2965; 27.2965; 16.2071; 90; 90; 120;  

COD ID: 4125591
CIF file Formula: - C38 H24 -
Comments: 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 139(4) (2017) 1428-1431
Space group: P -1
Cell volume: 2588.4
Cell parameters: 10.248; 15.0433; 16.9963; 85.397; 82.509; 87.759;  

COD ID: 4125592
CIF file Formula: - C38 H24 -
Comments: 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 139(4) (2017) 1428-1431
Space group: P -1
Cell volume: 1251
Cell parameters: 9.6273; 9.6571; 14.569; 106.794; 91.195; 104.193;  

COD ID: 4125593
CIF file Formula: - C28 H20 -
Comments: 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 139(4) (2017) 1428-1431
Space group: P 1 21/c 1
Cell volume: 1795.7
Cell parameters: 8.5356; 15.5623; 13.664; 90; 98.38; 90;  

COD ID: 4125594
CIF file Formula: - C39 H57 F3 Fe N O3 P3 S Si -
Comments: 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 139(8) (2017) 3161-3170
Space group: P 1 21/c 1
Cell volume: 4273.8
Cell parameters: 15.0339; 12.9751; 21.9518; 90; 93.558; 90;  

COD ID: 4125595
CIF file Formula: - C70.5 H71 B F24 Fe N O P3 Si -
Comments: 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 139(8) (2017) 3161-3170
Space group: P -1
Cell volume: 3653
Cell parameters: 12.6721; 16.407; 19.169; 106.503; 99.988; 100.24;  

COD ID: 4125596
CIF file Formula: - C46 H72.07 F3 Fe N2 O5 P3 S Si -
Comments: 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 139(8) (2017) 3161-3170
Space group: P 1 21/c 1
Cell volume: 5009.9
Cell parameters: 17.19; 17.7939; 16.5123; 90; 97.288; 90;  

COD ID: 4125597
CIF file Formula: - C38 H57 Fe N P3 Si -
Comments: 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 139(8) (2017) 3161-3170
Space group: P -1
Cell volume: 1831.5
Cell parameters: 10.53; 10.877; 18.902; 74.62; 88.11; 61.95;  

COD ID: 4125598
CIF file Formula: - C70 H69.64 B F24 Fe N P3 Si -
Comments: 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 139(8) (2017) 3161-3170
Space group: P -1
Cell volume: 3572.9
Cell parameters: 12.9953; 14.3232; 20.006; 88.513; 73.783; 87.956;  

COD ID: 4125599
CIF file Formula: - C130 H165 O20 -
Comments: 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 139(8) (2017) 2908-2911
Space group: P 1 21/n 1
Cell volume: 11941.3
Cell parameters: 13.5; 20.6046; 43.205; 90; 96.475; 90;  

COD ID: 4125600
CIF file Formula: - C76 H70 F12 N6 P2 Ru -
Comments: 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 139(8) (2017) 2936-2939
Space group: P c a 21
Cell volume: 6663.3
Cell parameters: 17.6487; 20.6724; 18.2635; 90; 90; 90;  

COD ID: 4125608
CIF file Formula: - C81 H114 F3 K N6 O35 S -
Comments: 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 139(10) (2017) 3721-3727
Space group: P -1
Cell volume: 4560
Cell parameters: 9.1272; 21.5044; 23.2601; 88.205; 88.653; 88.317;  

COD ID: 4125609
CIF file Formula: - C24 H22 N2 O4 -
Comments: 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 139(10) (2017) 3721-3727
Space group: P c c a
Cell volume: 2040.7
Cell parameters: 17.719; 12.4759; 9.2314; 90; 90; 90;  

COD ID: 4125610
CIF file Formula: - C38 H76 N2 O27 -
Comments: 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 139(10) (2017) 3721-3727
Space group: P 1 21/c 1
Cell volume: 5345.6
Cell parameters: 24.6495; 8.8435; 32.1542; 90; 130.301; 90;  

COD ID: 4125616
CIF file Formula: - C19 H26 O4 -
Comments: Reiher, Christopher A.; Shenvi, Ryan A. Stereocontrolled Synthesis of Kalihinol C. Journal of the American Chemical Society 139(10) (2017) 3647-3650
Space group: P -1
Cell volume: 817.19
Cell parameters: 6.3632; 10.611; 13.3887; 68.504; 83.023; 76.485;  

COD ID: 4125618
CIF file Formula: - C39 H53 Co F6 N3 O6.5 P2 S2 -
Comments: 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 139(10) (2017) 3685-3696
Space group: I 1 2/a 1
Cell volume: 8640
Cell parameters: 19.614; 10.4389; 42.807; 90; 99.657; 90;  

COD ID: 4125619
CIF file Formula: - C39 H40 Co F6 N3 O6 P2 S2 -
Comments: 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 139(10) (2017) 3685-3696
Space group: C 1 2/c 1
Cell volume: 8459.8
Cell parameters: 35.56; 11.5161; 21.158; 90; 102.477; 90;  

COD ID: 4125620
CIF file Formula: - C35.38 H33.77 Cl0.77 Co F6 N2 O6 P2 S2 -
Comments: 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 139(10) (2017) 3685-3696
Space group: P -1
Cell volume: 1952.98
Cell parameters: 9.1042; 10.6408; 20.646; 100.465; 94.427; 94.263;  

COD ID: 4125621
CIF file Formula: - C39 H51 Co F6 N4 O6 P2 S2 -
Comments: 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 139(10) (2017) 3685-3696
Space group: P -1
Cell volume: 2196.38
Cell parameters: 11.0634; 11.8443; 18.1779; 100.479; 103.371; 102.291;  

COD ID: 4125622
CIF file Formula: - C16 H16 O -
Comments: 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 139(1) (2017) 245-254
Space group: C 1 c 1
Cell volume: 2380.65
Cell parameters: 13.92506; 7.62053; 22.4351; 90; 90.4854; 90;  

COD ID: 4125623
CIF file Formula: - C15 H14 O -
Comments: 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 139(1) (2017) 245-254
Space group: P b c a
Cell volume: 2181.63
Cell parameters: 7.69025; 13.54657; 20.9417; 90; 90; 90;  

COD ID: 4125624
CIF file Formula: - C20 H24 Fe N4 O2 -
Comments: 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 139(1) (2017) 67-70
Space group: R 3 c :H
Cell volume: 9163.4
Cell parameters: 26.6275; 26.6275; 14.9233; 90; 90; 120;  

COD ID: 4125625
CIF file Formula: - C24 H32 Fe N4 O2 -
Comments: 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 139(1) (2017) 67-70
Space group: P n m a
Cell volume: 2666.2
Cell parameters: 8.3711; 17.0618; 18.6672; 90; 90; 90;  

COD ID: 4125626
CIF file Formula: - C28 H40 Fe N4 O2 -
Comments: 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 139(1) (2017) 67-70
Space group: P n a m
Cell volume: 2797.6
Cell parameters: 12.478; 10.528; 21.296; 90; 90; 90;  

COD ID: 4125627
CIF file Formula: - C20 H24 B F4 Fe N4 O2 -
Comments: 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 139(1) (2017) 67-70
Space group: P c a 21
Cell volume: 2367.6
Cell parameters: 15.3013; 10.7723; 14.3639; 90; 90; 90;  

COD ID: 4125628
CIF file Formula: - C28 H40 B F4 Fe N4 O2 -
Comments: 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 139(1) (2017) 67-70
Space group: P 1 21/c 1
Cell volume: 3141.5
Cell parameters: 11.2452; 16.1669; 17.9585; 90; 105.802; 90;  

COD ID: 4125629
CIF file Formula: - C20 H24 B F4 Fe N5 O3 -
Comments: 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 139(1) (2017) 67-70
Space group: P b c a
Cell volume: 4784.7
Cell parameters: 18.1138; 12.4841; 21.1588; 90; 90; 90;  

COD ID: 4125630
CIF file Formula: - C24 H32 B F4 Fe N5 O3 -
Comments: 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 139(1) (2017) 67-70
Space group: P 21 21 21
Cell volume: 2664
Cell parameters: 10.9335; 12.7302; 19.1398; 90; 90; 90;  

COD ID: 4125631
CIF file Formula: - C300 H197.26 Ag38 F52 P8 S26 -
Comments: 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 139(1) (2017) 31-34
Space group: P -1
Cell volume: 8393.86
Cell parameters: 21.64; 21.86; 22.426; 65.37; 61.48; 84.84;  

COD ID: 4125632
CIF file Formula: - C54 H48 B Cu F20 N4 -
Comments: 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 139(1) (2017) 472-481
Space group: P 1 21/n 1
Cell volume: 5171.58
Cell parameters: 11.4059; 31.7761; 15.3471; 90; 111.604; 90;  

COD ID: 4125633
CIF file Formula: - C40 H20 F8 I4 N2 -
Comments: 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 139(1) (2017) 436-441
Space group: P 1 21/c 1
Cell volume: 1777.1
Cell parameters: 4.2433; 20.178; 20.83; 90; 94.852; 90;  

COD ID: 4125634
CIF file Formula: - C34 H20 F4 I2 N2 -
Comments: 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 139(1) (2017) 436-441
Space group: P -1
Cell volume: 732.7
Cell parameters: 8.111; 10.142; 10.582; 116.789; 105.997; 92.452;  

COD ID: 4125635
CIF file Formula: - C16 H31 F6 Fe N3 O P S2 -
Comments: 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 139(1) (2017) 119-129
Space group: P 1 21/c 1
Cell volume: 2343.8
Cell parameters: 12.355; 15.307; 14.802; 90; 123.147; 90;  

COD ID: 4125636
CIF file Formula: - C464 H168 F192 Fe8 N136 Ni6 O64 S32 -
Comments: 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 139(1) (2017) 75-78
Space group: P 4/n
Cell volume: 43639.2
Cell parameters: 39.8773; 39.8773; 27.4426; 90; 90; 90;  

COD ID: 4125637
CIF file Formula: - C30 H38 O5 -
Comments: 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 139(1) (2017) 63-66
Space group: P 1
Cell volume: 1252.37
Cell parameters: 6.369; 14.0432; 15.4534; 68.518; 89.229; 77.501;  

COD ID: 4125638
CIF file Formula: - C119 H145 F3 Ir2 N2 O7 P2 S -
Comments: 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 139(1) (2017) 541-547
Space group: P 1 21 1
Cell volume: 5531
Cell parameters: 13.965; 28.537; 14.7; 90; 109.25; 90;  

COD ID: 4125639
CIF file Formula: - C109 H146 F3 Ir2 N2 O9 P2 S -
Comments: 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 139(1) (2017) 541-547
Space group: P 21 21 21
Cell volume: 10459.2
Cell parameters: 17.6216; 18.3846; 32.285; 90; 90; 90;  

COD ID: 4125640
CIF file Formula: - C20 H25 B O3 S -
Comments: 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 139(8) (2017) 3153-3160
Space group: P 1 21 1
Cell volume: 1922.9
Cell parameters: 10.818; 14.5; 12.569; 90; 102.765; 90;  

COD ID: 4125641
CIF file Formula: - C20 H18 B F4 N O -
Comments: 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 139(8) (2017) 2924-2927
Space group: P 21 21 21
Cell volume: 7170.6
Cell parameters: 7.5778; 25.9067; 36.526; 90; 90; 90;  

COD ID: 4125642
CIF file Formula: - C62 H52 O P2 S12 V -
Comments: 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 139(8) (2017) 3196-3201
Space group: C 1 2/c 1
Cell volume: 5982.3
Cell parameters: 29.6889; 14.9613; 14.8859; 90; 115.211; 90;  

COD ID: 4125643
CIF file Formula: - C13 H10 O2 -
Comments: 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 139(8) (2017) 2896-2899
Space group: P b c a
Cell volume: 4081
Cell parameters: 15.009; 13.965; 19.47; 90; 90; 90;  

COD ID: 4125644
CIF file Formula: - C14 H8 N O2 -
Comments: 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 139(8) (2017) 2896-2899
Space group: C 1 2/c 1
Cell volume: 2904
Cell parameters: 11.08; 27.686; 9.526; 90; 96.376; 90;  

COD ID: 4125645
CIF file Formula: - C30 H28 O4 -
Comments: 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 139(8) (2017) 3106-3114
Space group: P -1
Cell volume: 2351.3
Cell parameters: 11.7566; 11.9481; 18.921; 78.101; 84.064; 64.72;  

COD ID: 4125646
CIF file Formula: - C30 H28 Cl2 O4 -
Comments: 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 139(8) (2017) 3106-3114
Space group: P -1
Cell volume: 639.11
Cell parameters: 6.7057; 10.4349; 10.471; 115.281; 101.865; 93.508;  

COD ID: 4125647
CIF file Formula: - C148 H160 Cl12 -
Comments: 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 139(8) (2017) 3259-3264
Space group: R -3 :H
Cell volume: 26411
Cell parameters: 25.0005; 25.0005; 48.793; 90; 90; 120;  

COD ID: 4125648
CIF file Formula: - C144 H132 Br12 -
Comments: 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 139(8) (2017) 3259-3264
Space group: C 1 2/c 1
Cell volume: 19157.2
Cell parameters: 43.8917; 20.3623; 25.1357; 90; 121.486; 90;  

COD ID: 4125649
CIF file Formula: - C18 H15 F3 O -
Comments: 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 139(8) (2017) 2960-2963
Space group: P 1 21/n 1
Cell volume: 1434.33
Cell parameters: 7.8837; 12.6022; 14.4974; 90; 95.238; 90;  

COD ID: 4125650
CIF file Formula: - C24 H18 -
Comments: 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 139(8) (2017) 2960-2963
Space group: P b c a
Cell volume: 1559.7
Cell parameters: 13.92565; 6.76441; 16.55751; 90; 90; 90;  

COD ID: 4125651
CIF file Formula: - C38 H30 O2 -
Comments: 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 139(8) (2017) 2960-2963
Space group: P 1 21/n 1
Cell volume: 2739.37
Cell parameters: 10.62617; 19.11003; 13.49063; 90; 90.5435; 90;  

COD ID: 4125652
CIF file Formula: - C37.86 H46.78 I2 N6.93 O6 Se2 -
Comments: 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 139(8) (2017) 3122-3133
Space group: P 1 21/c 1
Cell volume: 4538.3
Cell parameters: 22.6944; 21.4972; 9.4414; 90; 99.847; 90;  

COD ID: 4125653
CIF file Formula: - C35 H26 Cl2 F6 Ir N4 O P -
Comments: 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 139(8) (2017) 3237-3248
Space group: P 1 21/n 1
Cell volume: 3279.6
Cell parameters: 14.6181; 13.8956; 16.9244; 90; 107.448; 90;  

COD ID: 4125654
CIF file Formula: - C34 H24 F6 Ir N6 P S2 -
Comments: 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 139(8) (2017) 3237-3248
Space group: F d d 2
Cell volume: 6620.2
Cell parameters: 12.2991; 13.34; 40.35; 90; 90; 90;  

COD ID: 4125655
CIF file Formula: - C31 H38 -
Comments: 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 139(8) (2017) 3082-3088
Space group: P -1
Cell volume: 2553.05
Cell parameters: 11.3612; 15.0007; 15.3112; 99.798; 93.975; 94.8;  

COD ID: 4125656
CIF file Formula: - C75 H102 O15 -
Comments: 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 139(8) (2017) 2908-2911
Space group: P 1 2/n 1
Cell volume: 3781.3
Cell parameters: 12.5845; 22.7005; 14.5054; 90; 114.146; 90;  

COD ID: 4125657
CIF file Formula: - C37 H46 O6 -
Comments: 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 139(8) (2017) 2908-2911
Space group: P -1
Cell volume: 1654.4
Cell parameters: 10.7372; 11.7516; 13.541; 95.142; 94.75; 102.165;  

COD ID: 4125658
CIF file Formula: - C74 H94 O12 -
Comments: 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 139(8) (2017) 2908-2911
Space group: P 1 21/n 1
Cell volume: 3348.8
Cell parameters: 11.612; 12.9629; 22.2541; 90; 91.391; 90;  

COD ID: 4125659
CIF file Formula: - C63 H86 O12 -
Comments: 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 139(8) (2017) 2908-2911
Space group: P -1
Cell volume: 5906.5
Cell parameters: 11.9397; 21.1861; 23.6062; 89.286; 87.831; 81.84;  

COD ID: 4125660
CIF file Formula: - C112 H102 B2 F8 N4 O5 Pd -
Comments: 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 139(8) (2017) 2936-2939
Space group: P -1
Cell volume: 9864.9
Cell parameters: 13.4593; 24.9166; 30.9993; 79.836; 87.531; 74.592;  


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