Crystallography Open Database

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Searching journal of publication like 'ACS central science' volume of publication is 2

COD ID: 4516748
CIF file Formula: - C14 H22 O5 -
Comments: Villaume, Matthew T.; Sella, Eran; Saul, Garrett; Borzilleri, Robert M.; Fargnoli, Joseph; Johnston, Kathy A.; Zhang, Haiying; Fereshteh, Mark P.; Dhar, T. G. Murali; Baran, Phil S. Antroquinonol A: Scalable Synthesis and Preclinical Biology of a Phase 2 Drug Candidate. ACS central science 2(1) (2016) 27-31
Space group: P 1 21 1
Cell volume: 692.35
Cell parameters: 5.9867; 13.6517; 8.5379; 90; 97.16; 90;  

COD ID: 4516749
CIF file Formula: - C H6 I3 N Pb -
Comments: Jaffe, Adam; Lin, Yu; Beavers, Christine M.; Voss, Johannes; Mao, Wendy L.; Karunadasa, Hemamala I. High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties. ACS central science 2(4) (2016) 201-209
Space group: I m -3
Cell volume: 1863.3
Cell parameters: 12.3053; 12.3053; 12.3053; 90; 90; 90;  

COD ID: 4516750
CIF file Formula: - C H6 Br3 N Pb -
Comments: Jaffe, Adam; Lin, Yu; Beavers, Christine M.; Voss, Johannes; Mao, Wendy L.; Karunadasa, Hemamala I. High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties. ACS central science 2(4) (2016) 201-209
Space group: I m -3
Cell volume: 1520.9
Cell parameters: 11.5; 11.5; 11.5; 90; 90; 90;  

COD ID: 4516751
CIF file Formula: - C H6 Br3 N Pb -
Comments: Jaffe, Adam; Lin, Yu; Beavers, Christine M.; Voss, Johannes; Mao, Wendy L.; Karunadasa, Hemamala I. High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties. ACS central science 2(4) (2016) 201-209
Space group: P m -3 m
Cell volume: 208.82
Cell parameters: 5.9328; 5.9328; 5.9328; 90; 90; 90;  

COD ID: 4516752
CIF file Formula: - C H6 I3 N Pb -
Comments: Jaffe, Adam; Lin, Yu; Beavers, Christine M.; Voss, Johannes; Mao, Wendy L.; Karunadasa, Hemamala I. High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties. ACS central science 2(4) (2016) 201-209
Space group: F m m m
Cell volume: 1971.5
Cell parameters: 12.4984; 12.5181; 12.6012; 90; 90; 90;  

COD ID: 4516753
CIF file Formula: - C22 H20 N3 O S -
Comments: Williamson, Alice E.; Ylioja, Paul M.; Robertson, Murray N.; Antonova-Koch, Yevgeniya; Avery, Vicky; Baell, Jonathan B.; Batchu, Harikrishna; Batra, Sanjay; Burrows, Jeremy N.; Bhattacharyya, Soumya; Calderon, Felix; Charman, Susan A.; Clark, Julie; Crespo, Benigno; Dean, Matin; Debbert, Stefan L.; Delves, Michael; Dennis, Adelaide S. M.; Deroose, Frederik; Duffy, Sandra; Fletcher, Sabine; Giaever, Guri; Hallyburton, Irene; Gamo, Francisco-Javier; Gebbia, Marinella; Guy, R. Kiplin; Hungerford, Zoe; Kirk, Kiaran; Lafuente-Monasterio, Maria J; Lee, Anna; Meister, Stephan; Nislow, Corey; Overington, John P.; Papadatos, George; Patiny, Luc; Pham, James; Ralph, Stuart A.; Ruecker, Andrea; Ryan, Eileen; Southan, Christopher; Srivastava, Kumkum; Swain, Chris; Tarnowski, Matthew J.; Thomson, Patrick; Turner, Peter; Wallace, Iain M.; Wells, Timothy N. C.; White, Karen; White, Laura; Willis, Paul; Winzeler, Elizabeth A.; Wittlin, Sergio; Todd, Matthew H. Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles. ACS central science 2(10) (2016) 687-701
Space group: P 1 21/n 1
Cell volume: 3744.73
Cell parameters: 10.90121; 15.32686; 23.05188; 90; 103.525; 90;  

COD ID: 4516754
CIF file Formula: - C24 H20 F N3 O2 S -
Comments: Williamson, Alice E.; Ylioja, Paul M.; Robertson, Murray N.; Antonova-Koch, Yevgeniya; Avery, Vicky; Baell, Jonathan B.; Batchu, Harikrishna; Batra, Sanjay; Burrows, Jeremy N.; Bhattacharyya, Soumya; Calderon, Felix; Charman, Susan A.; Clark, Julie; Crespo, Benigno; Dean, Matin; Debbert, Stefan L.; Delves, Michael; Dennis, Adelaide S. M.; Deroose, Frederik; Duffy, Sandra; Fletcher, Sabine; Giaever, Guri; Hallyburton, Irene; Gamo, Francisco-Javier; Gebbia, Marinella; Guy, R. Kiplin; Hungerford, Zoe; Kirk, Kiaran; Lafuente-Monasterio, Maria J; Lee, Anna; Meister, Stephan; Nislow, Corey; Overington, John P.; Papadatos, George; Patiny, Luc; Pham, James; Ralph, Stuart A.; Ruecker, Andrea; Ryan, Eileen; Southan, Christopher; Srivastava, Kumkum; Swain, Chris; Tarnowski, Matthew J.; Thomson, Patrick; Turner, Peter; Wallace, Iain M.; Wells, Timothy N. C.; White, Karen; White, Laura; Willis, Paul; Winzeler, Elizabeth A.; Wittlin, Sergio; Todd, Matthew H. Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles. ACS central science 2(10) (2016) 687-701
Space group: P 1 21/n 1
Cell volume: 2110.73
Cell parameters: 14.8484; 7.4553; 19.0765; 90; 91.789; 90;  

COD ID: 4516755
CIF file Formula: - C28 H26 F3 N3 O S -
Comments: Williamson, Alice E.; Ylioja, Paul M.; Robertson, Murray N.; Antonova-Koch, Yevgeniya; Avery, Vicky; Baell, Jonathan B.; Batchu, Harikrishna; Batra, Sanjay; Burrows, Jeremy N.; Bhattacharyya, Soumya; Calderon, Felix; Charman, Susan A.; Clark, Julie; Crespo, Benigno; Dean, Matin; Debbert, Stefan L.; Delves, Michael; Dennis, Adelaide S. M.; Deroose, Frederik; Duffy, Sandra; Fletcher, Sabine; Giaever, Guri; Hallyburton, Irene; Gamo, Francisco-Javier; Gebbia, Marinella; Guy, R. Kiplin; Hungerford, Zoe; Kirk, Kiaran; Lafuente-Monasterio, Maria J; Lee, Anna; Meister, Stephan; Nislow, Corey; Overington, John P.; Papadatos, George; Patiny, Luc; Pham, James; Ralph, Stuart A.; Ruecker, Andrea; Ryan, Eileen; Southan, Christopher; Srivastava, Kumkum; Swain, Chris; Tarnowski, Matthew J.; Thomson, Patrick; Turner, Peter; Wallace, Iain M.; Wells, Timothy N. C.; White, Karen; White, Laura; Willis, Paul; Winzeler, Elizabeth A.; Wittlin, Sergio; Todd, Matthew H. Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles. ACS central science 2(10) (2016) 687-701
Space group: P -1
Cell volume: 2489.48
Cell parameters: 10.1845; 14.5371; 17.6442; 85.8106; 79.751; 75.672;  

COD ID: 4516756
CIF file Formula: - C25 H19 F3 N4 O S -
Comments: Williamson, Alice E.; Ylioja, Paul M.; Robertson, Murray N.; Antonova-Koch, Yevgeniya; Avery, Vicky; Baell, Jonathan B.; Batchu, Harikrishna; Batra, Sanjay; Burrows, Jeremy N.; Bhattacharyya, Soumya; Calderon, Felix; Charman, Susan A.; Clark, Julie; Crespo, Benigno; Dean, Matin; Debbert, Stefan L.; Delves, Michael; Dennis, Adelaide S. M.; Deroose, Frederik; Duffy, Sandra; Fletcher, Sabine; Giaever, Guri; Hallyburton, Irene; Gamo, Francisco-Javier; Gebbia, Marinella; Guy, R. Kiplin; Hungerford, Zoe; Kirk, Kiaran; Lafuente-Monasterio, Maria J; Lee, Anna; Meister, Stephan; Nislow, Corey; Overington, John P.; Papadatos, George; Patiny, Luc; Pham, James; Ralph, Stuart A.; Ruecker, Andrea; Ryan, Eileen; Southan, Christopher; Srivastava, Kumkum; Swain, Chris; Tarnowski, Matthew J.; Thomson, Patrick; Turner, Peter; Wallace, Iain M.; Wells, Timothy N. C.; White, Karen; White, Laura; Willis, Paul; Winzeler, Elizabeth A.; Wittlin, Sergio; Todd, Matthew H. Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles. ACS central science 2(10) (2016) 687-701
Space group: P -1
Cell volume: 1150.21
Cell parameters: 8.7272; 11.5408; 12.2161; 85.6; 78.315; 72.701;  

COD ID: 4516757
CIF file Formula: - C9 H7 Cl F3 I O2 -
Comments: Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean Isolation and Reactivity of Trifluoromethyl Iodonium Salts. ACS central science 2(5) (2016) 341-350
Space group: P 1 21/c 1
Cell volume: 1104.12
Cell parameters: 6.4617; 18.6546; 9.1924; 90; 94.833; 90;  

COD ID: 4516758
CIF file Formula: - C10 H11 B F7 I O S0 -
Comments: Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean Isolation and Reactivity of Trifluoromethyl Iodonium Salts. ACS central science 2(5) (2016) 341-350
Space group: P 1 21/c 1
Cell volume: 2662.9
Cell parameters: 15.989; 8.7606; 19.0524; 90; 93.788; 90;  

COD ID: 4516759
CIF file Formula: - C8.5 H5.75 Cl F3 I N0.25 O2 -
Comments: Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean Isolation and Reactivity of Trifluoromethyl Iodonium Salts. ACS central science 2(5) (2016) 341-350
Space group: C 1 c 1
Cell volume: 4556.9
Cell parameters: 18.8002; 16.2335; 15.7805; 90; 108.884; 90;  

COD ID: 4516760
CIF file Formula: - C12 H13 Cl F7 I Si -
Comments: Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean Isolation and Reactivity of Trifluoromethyl Iodonium Salts. ACS central science 2(5) (2016) 341-350
Space group: P 1 21/c 1
Cell volume: 3402.6
Cell parameters: 12.0089; 25.0752; 12.5156; 90; 115.465; 90;  

COD ID: 4516761
CIF file Formula: - C10 H11 Cl F3 I O -
Comments: Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean Isolation and Reactivity of Trifluoromethyl Iodonium Salts. ACS central science 2(5) (2016) 341-350
Space group: P 1 21/n 1
Cell volume: 1176.79
Cell parameters: 8.1777; 17.9834; 8.8898; 90; 115.825; 90;  

COD ID: 4516762
CIF file Formula: - C12 H13 Cl F3 I O2 -
Comments: Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean Isolation and Reactivity of Trifluoromethyl Iodonium Salts. ACS central science 2(5) (2016) 341-350
Space group: P 1 21/c 1
Cell volume: 1397.1
Cell parameters: 11.2059; 13.8263; 9.0501; 90; 94.868; 90;  

COD ID: 4516763
CIF file Formula: - C34 H44 N4 O S -
Comments: Kennedy, C. Rose; Guidera, Jennifer A.; Jacobsen, Eric N. Synergistic Ion-Binding Catalysis Demonstrated via an Enantioselective, Catalytic [2,3]-Wittig Rearrangement. ACS central science 2(6) (2016) 416-423
Space group: P 21 21 21
Cell volume: 6456.6
Cell parameters: 17.8318; 17.9175; 20.2085; 90; 90; 90;  

COD ID: 4516764
CIF file Formula: - C39 H56 N4 O2 S -
Comments: Kennedy, C. Rose; Guidera, Jennifer A.; Jacobsen, Eric N. Synergistic Ion-Binding Catalysis Demonstrated via an Enantioselective, Catalytic [2,3]-Wittig Rearrangement. ACS central science 2(6) (2016) 416-423
Space group: P 1 21 1
Cell volume: 1903
Cell parameters: 11.9463; 14.2569; 12.379; 90; 115.498; 90;  

COD ID: 4516765
CIF file Formula: - C14 H16 O5 -
Comments: Kennedy, C. Rose; Guidera, Jennifer A.; Jacobsen, Eric N. Synergistic Ion-Binding Catalysis Demonstrated via an Enantioselective, Catalytic [2,3]-Wittig Rearrangement. ACS central science 2(6) (2016) 416-423
Space group: P 21 21 21
Cell volume: 1322.8
Cell parameters: 5.6658; 13.9473; 16.7395; 90; 90; 90;  

COD ID: 4516766
CIF file Formula: - C11 H19 Cs O4 -
Comments: Kennedy, C. Rose; Guidera, Jennifer A.; Jacobsen, Eric N. Synergistic Ion-Binding Catalysis Demonstrated via an Enantioselective, Catalytic [2,3]-Wittig Rearrangement. ACS central science 2(6) (2016) 416-423
Space group: P b c m
Cell volume: 1352.15
Cell parameters: 5.9577; 24.1397; 9.4019; 90; 90; 90;  

COD ID: 4516767
CIF file Formula: - C16 H16 F3 N3 O6 -
Comments: Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F. Late Stage Azidation of Complex Molecules. ACS central science 2(10) (2016) 715-724
Space group: P 61
Cell volume: 2718.48
Cell parameters: 17.5978; 17.5978; 10.1363; 90; 90; 120;  

COD ID: 4516768
CIF file Formula: - C15 H23 N3 O3 -
Comments: Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F. Late Stage Azidation of Complex Molecules. ACS central science 2(10) (2016) 715-724
Space group: P 21 21 21
Cell volume: 1476.87
Cell parameters: 6.1715; 10.419; 22.9681; 90; 90; 90;  

COD ID: 4516769
CIF file Formula: - C45 H58 F3 N3 O4 -
Comments: Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F. Late Stage Azidation of Complex Molecules. ACS central science 2(10) (2016) 715-724
Space group: P 1 21 1
Cell volume: 1961.3
Cell parameters: 12.8744; 11.4434; 13.9437; 90; 107.307; 90;  

COD ID: 4516770
CIF file Formula: - C15 H23 N3 O3 -
Comments: Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F. Late Stage Azidation of Complex Molecules. ACS central science 2(10) (2016) 715-724
Space group: P 1 21 1
Cell volume: 765.48
Cell parameters: 10.1594; 6.5226; 11.7589; 90; 100.773; 90;  

COD ID: 4516771
CIF file Formula: - C24 H26 F3 N5 O4 -
Comments: Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F. Late Stage Azidation of Complex Molecules. ACS central science 2(10) (2016) 715-724
Space group: P 1 21 1
Cell volume: 1089.13
Cell parameters: 9.591; 10.1778; 11.4314; 90; 102.57; 90;  

COD ID: 4516772
CIF file Formula: - C15 H23 N3 O3 -
Comments: Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F. Late Stage Azidation of Complex Molecules. ACS central science 2(10) (2016) 715-724
Space group: C 1 2 1
Cell volume: 1463.3
Cell parameters: 17.681; 5.8685; 14.2464; 90; 98.134; 90;  

COD ID: 4516773
CIF file Formula: - C27 H38 F3 N3 O9 -
Comments: Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F. Late Stage Azidation of Complex Molecules. ACS central science 2(10) (2016) 715-724
Space group: P 1 21 1
Cell volume: 1461.83
Cell parameters: 7.9614; 10.5937; 17.3592; 90; 93.179; 90;  

COD ID: 4516774
CIF file Formula: - C15 H25 N3 O -
Comments: Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F. Late Stage Azidation of Complex Molecules. ACS central science 2(10) (2016) 715-724
Space group: P 21 21 21
Cell volume: 1480.68
Cell parameters: 5.8607; 13.4039; 18.8487; 90; 90; 90;  

COD ID: 4516775
CIF file Formula: - C22 H26 N6 O7 -
Comments: Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F. Late Stage Azidation of Complex Molecules. ACS central science 2(10) (2016) 715-724
Space group: P 1 21 1
Cell volume: 1174.29
Cell parameters: 8.1836; 10.5248; 13.9957; 90; 103.058; 90;  

COD ID: 4516776
CIF file Formula: - C25 H40 Co N O P2 -
Comments: Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J. Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling. ACS central science 2(12) (2016) 935-942
Space group: P -1
Cell volume: 1278.22
Cell parameters: 9.7605; 11.09; 13.2025; 109.848; 103.373; 96.594;  

COD ID: 4516777
CIF file Formula: - C26 H40 Co N O2 P2 -
Comments: Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J. Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling. ACS central science 2(12) (2016) 935-942
Space group: P -1
Cell volume: 1316.09
Cell parameters: 10.439; 10.563; 13.6925; 67.685; 73.201; 74.555;  

COD ID: 4516778
CIF file Formula: - C27 H40 Co N O P2 -
Comments: Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J. Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling. ACS central science 2(12) (2016) 935-942
Space group: P 1 21/c 1
Cell volume: 2725.4
Cell parameters: 12.171; 12.756; 17.977; 90; 102.445; 90;  

COD ID: 4516779
CIF file Formula: - C33 H45 Co N O4 P2 -
Comments: Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J. Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling. ACS central science 2(12) (2016) 935-942
Space group: C 1 2/c 1
Cell volume: 3261.02
Cell parameters: 21.8371; 9.5233; 15.8508; 90; 98.396; 90;  

COD ID: 4516780
CIF file Formula: - C40 H70 Cl2 Co2 F6 N2 O6 P4 S2 -
Comments: Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J. Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling. ACS central science 2(12) (2016) 935-942
Space group: P 1 21 1
Cell volume: 1291.86
Cell parameters: 10.1526; 11.188; 11.4068; 90; 94.395; 90;  


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All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.