Crystallography Open Database

Result : There are 105 entries in the selection

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Searching journal of publication like 'ACS central science'

COD ID: 4514920
CIF file Formula: - Cl5 H24 N9 O2 Ru2 -
Comments: Woods, Joshua J.; Nemani, Neeharika; Shanmughapriya, Santhanam; Kumar, Akshay; Zhang, MengQi; Nathan, Sarah R.; Thomas, Manfred; Carvalho, Edmund; Ramachandran, Karthik; Srikantan, Subramanya; Stathopulos, Peter B.; Wilson, Justin J.; Madesh, Muniswamy A Selective and Cell-Permeable Mitochondrial Calcium Uniporter (MCU) Inhibitor Preserves Mitochondrial Bioenergetics after Hypoxia/Reoxygenation Injury. ACS central science 5(1) (2019) 153-166
Space group: I 1 2/m 1
Cell volume: 888.433
Cell parameters: 8.5277; 7.6795; 13.5715; 90; 91.593; 90;  

COD ID: 4514921
CIF file Formula: - C8 H32 Cl5 N9 O Ru2 -
Comments: Woods, Joshua J.; Nemani, Neeharika; Shanmughapriya, Santhanam; Kumar, Akshay; Zhang, MengQi; Nathan, Sarah R.; Thomas, Manfred; Carvalho, Edmund; Ramachandran, Karthik; Srikantan, Subramanya; Stathopulos, Peter B.; Wilson, Justin J.; Madesh, Muniswamy A Selective and Cell-Permeable Mitochondrial Calcium Uniporter (MCU) Inhibitor Preserves Mitochondrial Bioenergetics after Hypoxia/Reoxygenation Injury. ACS central science 5(1) (2019) 153-166
Space group: P 65 2 2
Cell volume: 3287
Cell parameters: 10.0036; 10.0036; 37.9277; 90; 90; 120;  

COD ID: 4514922
CIF file Formula: - C H6 I3 N3 Pb -
Comments: Fu, Yongping; Hautzinger, Matthew P.; Luo, Ziyu; Wang, Feifan; Pan, Dongxu; Aristov, Michael M.; Guzei, Ilia A.; Pan, Anlian; Zhu, Xiaoyang; Jin, Song Incorporating Large A Cations into Lead Iodide Perovskite Cages: Relaxed Goldschmidt Tolerance Factor and Impact on Exciton-Phonon Interaction. ACS central science 5(8) (2019) 1377-1386
Space group: P 1 21/n 1
Cell volume: 1044.3
Cell parameters: 4.5694; 11.748; 19.504; 90; 94.147; 90;  

COD ID: 4514923
CIF file Formula: - C13 H38 I7 N3 Pb2 -
Comments: Fu, Yongping; Hautzinger, Matthew P.; Luo, Ziyu; Wang, Feifan; Pan, Dongxu; Aristov, Michael M.; Guzei, Ilia A.; Pan, Anlian; Zhu, Xiaoyang; Jin, Song Incorporating Large A Cations into Lead Iodide Perovskite Cages: Relaxed Goldschmidt Tolerance Factor and Impact on Exciton-Phonon Interaction. ACS central science 5(8) (2019) 1377-1386
Space group: C 1 2/c 1
Cell volume: 3407
Cell parameters: 45.146; 8.814; 8.695; 90; 100.03; 90;  

COD ID: 4514924
CIF file Formula: - C38.51 H46.04 B18 Cl18 O2.49 P2 Pd2 -
Comments: Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M. Characterization of Reactive Organometallic Species via MicroED. ACS central science 5(9) (2019) 1507-1513
Space group: P 1 21/c 1
Cell volume: 6461.5
Cell parameters: 15.4952; 15.2588; 27.3371; 90; 91.4479; 90;  

COD ID: 4514925
CIF file Formula: - C44 H56 B18 Cl18 O2 P2 Pd2 -
Comments: Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M. Characterization of Reactive Organometallic Species via MicroED. ACS central science 5(9) (2019) 1507-1513
Space group: P -1
Cell volume: 1592.4
Cell parameters: 13.05; 12.04; 13.06; 107.57; 91.15; 123.19;  

COD ID: 4514926
CIF file Formula: - C220 H184 O4 P12 Rh4 -
Comments: Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M. Characterization of Reactive Organometallic Species via MicroED. ACS central science 5(9) (2019) 1507-1513
Space group: P 1 21/n 1
Cell volume: 4243.7
Cell parameters: 10.01; 31.78; 13.34; 90; 90.15; 90;  

COD ID: 4514927
CIF file Formula: - C136 H112 Cl8 Fe4 Ni4 P8 -
Comments: Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M. Characterization of Reactive Organometallic Species via MicroED. ACS central science 5(9) (2019) 1507-1513
Space group: P n a 21
Cell volume: 2909.8
Cell parameters: 19.76; 10.1; 14.58; 90; 90; 90;  

COD ID: 4514928
CIF file Formula: - C120 H168 Fe8 O48 -
Comments: Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M. Characterization of Reactive Organometallic Species via MicroED. ACS central science 5(9) (2019) 1507-1513
Space group: P b c a
Cell volume: 3432
Cell parameters: 15.52; 13.41; 16.49; 90; 90; 90;  

COD ID: 4514929
CIF file Formula: - C10 H11 Cl Zr -
Comments: Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M. Characterization of Reactive Organometallic Species via MicroED. ACS central science 5(9) (2019) 1507-1513
Space group: P n n m
Cell volume: 918
Cell parameters: 7.21; 9.2; 13.84; 90; 90; 90;  

COD ID: 4514930
CIF file Formula: - C172 H288 Cl8 P8 Ru4 -
Comments: Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M. Characterization of Reactive Organometallic Species via MicroED. ACS central science 5(9) (2019) 1507-1513
Space group: P 1 21/n 1
Cell volume: 3988.3
Cell parameters: 9.68; 25.65; 16.08; 90; 92.63; 90;  

COD ID: 4514931
CIF file Formula: - C168 H160 N4 O8 P4 Pd4 -
Comments: Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M. Characterization of Reactive Organometallic Species via MicroED. ACS central science 5(9) (2019) 1507-1513
Space group: P 21 21 21
Cell volume: 3458.8
Cell parameters: 10.2; 17.04; 19.9; 90; 90; 90;  

COD ID: 4515843
CIF file Formula: - C22 H23 F3 Ir N O3 -
Comments: Kim, Youyoung; Park, Yoonsu; Chang, Sukbok Delineating Physical Organic Parameters in Site-Selective C-H Functionalization of Indoles. ACS central science 4(6) (2018) 768-775
Space group: P -1
Cell volume: 1197.89
Cell parameters: 9.277; 9.4109; 15.355; 101.755; 103.438; 106.361;  

COD ID: 4515844
CIF file Formula: - C18 H18 N2 O3 S -
Comments: Kim, Youyoung; Park, Yoonsu; Chang, Sukbok Delineating Physical Organic Parameters in Site-Selective C-H Functionalization of Indoles. ACS central science 4(6) (2018) 768-775
Space group: P 1 21/c 1
Cell volume: 1646.14
Cell parameters: 17.1548; 5.2806; 18.3203; 90; 97.2991; 90;  

COD ID: 4515845
CIF file Formula: - C29 H30 F3 Ir N2 O5 S -
Comments: Kim, Youyoung; Park, Yoonsu; Chang, Sukbok Delineating Physical Organic Parameters in Site-Selective C-H Functionalization of Indoles. ACS central science 4(6) (2018) 768-775
Space group: P -1
Cell volume: 1400.64
Cell parameters: 9.6211; 10.9933; 14.575; 81.373; 79.858; 67.962;  

COD ID: 4515846
CIF file Formula: - C22 H18 Cd N4 O4 -
Comments: Yang, Hui; Guo, Feng; Lama, Prem; Gao, Wen-Yang; Wu, Hui; Barbour, Leonard J.; Zhou, Wei; Zhang, Jian; Aguila, Briana; Ma, Shengqian Visualizing Structural Transformation and Guest Binding in a Flexible Metal-Organic Framework under High Pressure and Room Temperature. ACS central science 4(9) (2018) 1194-1200
Space group: P 4 21 2
Cell volume: 2856.3
Cell parameters: 18.636; 18.636; 8.2243; 90; 90; 90;  

COD ID: 4515847
CIF file Formula: - C22 H18 Cd N4 O4 -
Comments: Yang, Hui; Guo, Feng; Lama, Prem; Gao, Wen-Yang; Wu, Hui; Barbour, Leonard J.; Zhou, Wei; Zhang, Jian; Aguila, Briana; Ma, Shengqian Visualizing Structural Transformation and Guest Binding in a Flexible Metal-Organic Framework under High Pressure and Room Temperature. ACS central science 4(9) (2018) 1194-1200
Space group: P 4 21 2
Cell volume: 2860.9
Cell parameters: 18.855; 18.855; 8.0473; 90; 90; 90;  

COD ID: 4515848
CIF file Formula: - C22 H18 Cd N4 O4 -
Comments: Yang, Hui; Guo, Feng; Lama, Prem; Gao, Wen-Yang; Wu, Hui; Barbour, Leonard J.; Zhou, Wei; Zhang, Jian; Aguila, Briana; Ma, Shengqian Visualizing Structural Transformation and Guest Binding in a Flexible Metal-Organic Framework under High Pressure and Room Temperature. ACS central science 4(9) (2018) 1194-1200
Space group: P 21 21 2
Cell volume: 2214.7
Cell parameters: 16.85; 16.855; 7.7979; 90; 90; 90;  

COD ID: 4515849
CIF file Formula: - C22 H18 Cd N4 O4 -
Comments: Yang, Hui; Guo, Feng; Lama, Prem; Gao, Wen-Yang; Wu, Hui; Barbour, Leonard J.; Zhou, Wei; Zhang, Jian; Aguila, Briana; Ma, Shengqian Visualizing Structural Transformation and Guest Binding in a Flexible Metal-Organic Framework under High Pressure and Room Temperature. ACS central science 4(9) (2018) 1194-1200
Space group: P 4 21 2
Cell volume: 2861.5
Cell parameters: 18.6204; 18.6204; 8.2532; 90; 90; 90;  

COD ID: 4515850
CIF file Formula: - C25 H24 B2 Co F8 N10 -
Comments: Chapovetsky, Alon; Welborn, Matthew; Luna, John M.; Haiges, Ralf; Miller, 3rd, Thomas F; Marinescu, Smaranda C. Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO<sub>2</sub> Reduction. ACS central science 4(3) (2018) 397-404
Space group: P -1
Cell volume: 1796
Cell parameters: 12.026; 12.302; 14.145; 72.461; 79.742; 64.354;  

COD ID: 4515851
CIF file Formula: - C26 H28 B2 Co F8 N8 O -
Comments: Chapovetsky, Alon; Welborn, Matthew; Luna, John M.; Haiges, Ralf; Miller, 3rd, Thomas F; Marinescu, Smaranda C. Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO<sub>2</sub> Reduction. ACS central science 4(3) (2018) 397-404
Space group: P -1
Cell volume: 1403.33
Cell parameters: 10.1224; 11.5342; 12.3686; 84.499; 89.722; 77.529;  

COD ID: 4515852
CIF file Formula: - C24 H23 B2 Co F8 N9 -
Comments: Chapovetsky, Alon; Welborn, Matthew; Luna, John M.; Haiges, Ralf; Miller, 3rd, Thomas F; Marinescu, Smaranda C. Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO<sub>2</sub> Reduction. ACS central science 4(3) (2018) 397-404
Space group: P -1
Cell volume: 1438.8
Cell parameters: 10.09; 11.516; 12.743; 83.756; 87.48; 77.894;  

COD ID: 4515853
CIF file Formula: - C25 H30 B2 Co F8 N8 O3 -
Comments: Chapovetsky, Alon; Welborn, Matthew; Luna, John M.; Haiges, Ralf; Miller, 3rd, Thomas F; Marinescu, Smaranda C. Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO<sub>2</sub> Reduction. ACS central science 4(3) (2018) 397-404
Space group: P -1
Cell volume: 1470.1
Cell parameters: 11.1267; 11.9052; 12.2051; 106.688; 101.505; 100.107;  

COD ID: 4516745
CIF file Formula: - C44 H60 Cl3 Co N6 O4 -
Comments: Lewis, Kyle G.; Ghosh, Subrata K.; Bhuvanesh, Nattamai; Gladysz, John A. Cobalt(III) Werner Complexes with 1,2-Diphenylethylenediamine Ligands: Readily Available, Inexpensive, and Modular Chiral Hydrogen Bond Donor Catalysts for Enantioselective Organic Synthesis. ACS central science 1(1) (2015) 50-56
Space group: P 43
Cell volume: 4638
Cell parameters: 13.839; 13.839; 24.216; 90; 90; 90;  

COD ID: 4516746
CIF file Formula: - C44.88 H61.54 Cl3 Co N6 O3.88 -
Comments: Lewis, Kyle G.; Ghosh, Subrata K.; Bhuvanesh, Nattamai; Gladysz, John A. Cobalt(III) Werner Complexes with 1,2-Diphenylethylenediamine Ligands: Readily Available, Inexpensive, and Modular Chiral Hydrogen Bond Donor Catalysts for Enantioselective Organic Synthesis. ACS central science 1(1) (2015) 50-56
Space group: P 41
Cell volume: 4679.8
Cell parameters: 13.8725; 13.8725; 24.3173; 90; 90; 90;  

COD ID: 4516747
CIF file Formula: - C84 H146 Cl6 Co2 N12 O25 -
Comments: Lewis, Kyle G.; Ghosh, Subrata K.; Bhuvanesh, Nattamai; Gladysz, John A. Cobalt(III) Werner Complexes with 1,2-Diphenylethylenediamine Ligands: Readily Available, Inexpensive, and Modular Chiral Hydrogen Bond Donor Catalysts for Enantioselective Organic Synthesis. ACS central science 1(1) (2015) 50-56
Space group: P 1 21 1
Cell volume: 5103.4
Cell parameters: 12.0877; 25.0985; 16.8235; 90; 90.887; 90;  

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;  

COD ID: 4516781
CIF file Formula: - C38 H33 Cl4 N3 O13 -
Comments: Chu, Hang; Smith, Joel M.; Felding, Jakob; Baran, Phil S. Scalable Synthesis of (-)-Thapsigargin. ACS central science 3(1) (2017) 47-51
Space group: P 1
Cell volume: 970.58
Cell parameters: 8.2491; 10.4883; 11.6077; 82.052; 77.374; 88.501;  

COD ID: 4516782
CIF file Formula: - C25 H33 N O8 -
Comments: Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E. Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine. ACS central science 3(4) (2017) 278-282
Space group: P 21 21 2
Cell volume: 2884.87
Cell parameters: 18.9642; 11.2161; 13.5628; 90; 90; 90;  

COD ID: 4516783
CIF file Formula: - C42 H48 B N O10 -
Comments: Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E. Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine. ACS central science 3(4) (2017) 278-282
Space group: P 1 21 1
Cell volume: 1885.5
Cell parameters: 8.7826; 22.1496; 10.3099; 90; 109.928; 90;  

COD ID: 4516784
CIF file Formula: - C33 H57 N O12 -
Comments: Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E. Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine. ACS central science 3(4) (2017) 278-282
Space group: P 21 21 21
Cell volume: 3595
Cell parameters: 10.9374; 11.9604; 27.4814; 90; 90; 90;  

COD ID: 4516785
CIF file Formula: - C58 H90.76 N2 O18.38 -
Comments: Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E. Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine. ACS central science 3(4) (2017) 278-282
Space group: P 32
Cell volume: 4366.3
Cell parameters: 20.8804; 20.8804; 11.5639; 90; 90; 120;  

COD ID: 4516786
CIF file Formula: - C27 H15 N3 O3 -
Comments: Mamada, Masashi; Inada, Ko; Komino, Takeshi; Potscavage, Jr, William J; Nakanotani, Hajime; Adachi, Chihaya Highly Efficient Thermally Activated Delayed Fluorescence from an Excited-State Intramolecular Proton Transfer System. ACS central science 3(7) (2017) 769-777
Space group: P c c n
Cell volume: 1861.3
Cell parameters: 3.8199; 19.117; 25.488; 90; 90; 90;  

COD ID: 4516787
CIF file Formula: - C102 H100 B2 N6 Ni O2 -
Comments: Bunescu, Ala; Lee, Sunwoo; Li, Qian; Hartwig, John F. Catalytic Hydroxylation of Polyethylenes. ACS central science 3(8) (2017) 895-903
Space group: P -1
Cell volume: 4162.4
Cell parameters: 12.6909; 16.3914; 20.9924; 81.335; 76.622; 80.613;  

COD ID: 4516788
CIF file Formula: - C22 H26 O8 -
Comments: Roach, Jeremy J.; Sasano, Yusuke; Schmid, Cullen L.; Zaidi, Saheem; Katritch, Vsevolod; Stevens, Raymond C.; Bohn, Laura M.; Shenvi, Ryan A. Dynamic Strategic Bond Analysis Yields a Ten-Step Synthesis of 20-nor-Salvinorin A, a Potent κ-OR Agonist. ACS central science 3(12) (2017) 1329-1336
Space group: C 1 2/c 1
Cell volume: 4046.6
Cell parameters: 25.102; 6.0323; 28.707; 90; 111.423; 90;  

COD ID: 4516789
CIF file Formula: - C16 H22 O5 -
Comments: Roach, Jeremy J.; Sasano, Yusuke; Schmid, Cullen L.; Zaidi, Saheem; Katritch, Vsevolod; Stevens, Raymond C.; Bohn, Laura M.; Shenvi, Ryan A. Dynamic Strategic Bond Analysis Yields a Ten-Step Synthesis of 20-nor-Salvinorin A, a Potent κ-OR Agonist. ACS central science 3(12) (2017) 1329-1336
Space group: P 1 21/n 1
Cell volume: 3349
Cell parameters: 15.183; 6.01; 36.8552; 90; 95.228; 90;  

COD ID: 4516790
CIF file Formula: - C48 H72 N8 O44 Ti8 Zr2 -
Comments: Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai [Ti<sub>8</sub>Zr<sub>2</sub>O<sub>12</sub>(COO)<sub>16</sub>] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks. ACS central science 4(1) (2018) 105-111
Space group: I m -3 m
Cell volume: 14278
Cell parameters: 24.26; 24.26; 24.26; 90; 90; 90;  

COD ID: 4516791
CIF file Formula: - C48 H80 O44 Ti8 Zr2 -
Comments: Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai [Ti<sub>8</sub>Zr<sub>2</sub>O<sub>12</sub>(COO)<sub>16</sub>] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks. ACS central science 4(1) (2018) 105-111
Space group: P -1
Cell volume: 1811.3
Cell parameters: 12.064; 13.543; 13.806; 104.331; 109.519; 110.62;  

COD ID: 4516792
CIF file Formula: - C112 H80 O44 Ti8 Zr2 -
Comments: Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai [Ti<sub>8</sub>Zr<sub>2</sub>O<sub>12</sub>(COO)<sub>16</sub>] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks. ACS central science 4(1) (2018) 105-111
Space group: P 1 21/n 1
Cell volume: 5486
Cell parameters: 14.896; 24.07; 15.304; 90; 91.287; 90;  

COD ID: 4516793
CIF file Formula: - C134 H126 N2 O46 Ti8 Zr2 -
Comments: Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai [Ti<sub>8</sub>Zr<sub>2</sub>O<sub>12</sub>(COO)<sub>16</sub>] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks. ACS central science 4(1) (2018) 105-111
Space group: R -3 c :H
Cell volume: 68843
Cell parameters: 32.89; 32.89; 73.485; 90; 90; 120;  

COD ID: 4516794
CIF file Formula: - C176 H208 O44 Ti8 Zr2 -
Comments: Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai [Ti<sub>8</sub>Zr<sub>2</sub>O<sub>12</sub>(COO)<sub>16</sub>] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks. ACS central science 4(1) (2018) 105-111
Space group: P 1 21 1
Cell volume: 9746
Cell parameters: 15.818; 35.48; 18.356; 90; 108.901; 90;  

COD ID: 4517440
CIF file Formula: - C31 H43 N3 O9 -
Comments: Hilton, Margaret J.; Brackett, Christopher M.; Mercado, Brandon Q.; Blagg, Brian S. J.; Miller, Scott J. Catalysis-Enabled Access to Cryptic Geldanamycin Oxides ACS Central Science (2020)
Space group: P 1 21 1
Cell volume: 1795.17
Cell parameters: 15.2434; 7.8592; 15.5165; 90; 105.045; 90;  

COD ID: 4517441
CIF file Formula: - C29 H40 N2 O10 -
Comments: Hilton, Margaret J.; Brackett, Christopher M.; Mercado, Brandon Q.; Blagg, Brian S. J.; Miller, Scott J. Catalysis-Enabled Access to Cryptic Geldanamycin Oxides ACS Central Science (2020)
Space group: P 21 21 21
Cell volume: 3140.47
Cell parameters: 8.1886; 18.757; 20.4466; 90; 90; 90;  

COD ID: 4517442
CIF file Formula: - C29 H40 N2 O10 -
Comments: Hilton, Margaret J.; Brackett, Christopher M.; Mercado, Brandon Q.; Blagg, Brian S. J.; Miller, Scott J. Catalysis-Enabled Access to Cryptic Geldanamycin Oxides ACS Central Science (2020)
Space group: P 1 21 1
Cell volume: 1506.08
Cell parameters: 12.5726; 7.5849; 16.0036; 90; 99.298; 90;  

COD ID: 4517443
CIF file Formula: - C29 H40 N2 O10 -
Comments: Hilton, Margaret J.; Brackett, Christopher M.; Mercado, Brandon Q.; Blagg, Brian S. J.; Miller, Scott J. Catalysis-Enabled Access to Cryptic Geldanamycin Oxides ACS Central Science (2020)
Space group: P 1 21 1
Cell volume: 3702.91
Cell parameters: 16.1463; 7.8473; 30.1019; 90; 103.866; 90;  

COD ID: 4517983
CIF file Formula: - Al6.38 Ca3 O33 Si9.62 -
Comments: Mugnaioli, Enrico; Lanza, Arianna E.; Bortolozzi, Giorgio; Righi, Lara; Merlini, Marco; Cappello, Valentina; Marini, Lara; Athanassiou, Athanassia; Gemmi, Mauro Electron Diffraction on Flash-Frozen Cowlesite Reveals the Structure of the First Two-Dimensional Natural Zeolite ACS Central Science (2020)
Space group: C c m e
Cell volume: 17169
Cell parameters: 23; 24.8; 30.1; 90; 90; 90;  

COD ID: 4517984
CIF file Formula: - Al6.38 Ca1.5 O32 Si9.62 -
Comments: Mugnaioli, Enrico; Lanza, Arianna E.; Bortolozzi, Giorgio; Righi, Lara; Merlini, Marco; Cappello, Valentina; Marini, Lara; Athanassiou, Athanassia; Gemmi, Mauro Electron Diffraction on Flash-Frozen Cowlesite Reveals the Structure of the First Two-Dimensional Natural Zeolite ACS Central Science (2020)
Space group: C c m e
Cell volume: 14254
Cell parameters: 23; 24.4; 25.4; 90; 90; 90;  

COD ID: 4517991
CIF file Formula: - C14 H12 F N O -
Comments: Su, Jianke; Ma, Xingxing; Ou, Zongliang; Song, Qiuling Deconstructive Functionalizations of Unstrained Carbon‒Nitrogen Cleavage Enabled by Difluorocarbene ACS Central Science (2020)
Space group: P 1 21/c 1
Cell volume: 1160.3
Cell parameters: 8.5597; 9.5439; 14.732; 90; 105.399; 90;  

COD ID: 4517996
CIF file Formula: - C52 H99 B Fe Mo N11 O P Si3 -
Comments: Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M. Stabilization of the Dinitrogen Analogue, Phosphorus Nitride. ACS central science 6(9) (2020) 1572-1577
Space group: P -1
Cell volume: 3111.5
Cell parameters: 10.1184; 15.462; 21.5377; 71.492; 78.041; 81.087;  

COD ID: 4517997
CIF file Formula: - C18 H48 Mo N5 P Si4 -
Comments: Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M. Stabilization of the Dinitrogen Analogue, Phosphorus Nitride. ACS central science 6(9) (2020) 1572-1577
Space group: P n a 21
Cell volume: 3029.9
Cell parameters: 19.4151; 12.4197; 12.5653; 90; 90; 90;  

COD ID: 4517998
CIF file Formula: - C49 H72 Mo N5 P4 Rh Si3 -
Comments: Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M. Stabilization of the Dinitrogen Analogue, Phosphorus Nitride. ACS central science 6(9) (2020) 1572-1577
Space group: C 1 2/m 1
Cell volume: 6275.3
Cell parameters: 25.3056; 19.7149; 13.1491; 90; 106.942; 90;  

COD ID: 4517999
CIF file Formula: - C74.94 H143.76 B Fe Mo N14 O0.56 P Si3 -
Comments: Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M. Stabilization of the Dinitrogen Analogue, Phosphorus Nitride. ACS central science 6(9) (2020) 1572-1577
Space group: P -1
Cell volume: 4370.1
Cell parameters: 15.583; 15.7178; 20.182; 90.53; 102.107; 114.559;  

COD ID: 4518000
CIF file Formula: - C74.94 H143.76 B Fe Mo N14 O0.56 P Si3 -
Comments: Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M. Stabilization of the Dinitrogen Analogue, Phosphorus Nitride. ACS central science 6(9) (2020) 1572-1577
Space group: P -1
Cell volume: 4370.4
Cell parameters: 15.5835; 15.7173; 20.184; 90.529; 102.106; 114.564;  

COD ID: 4518001
CIF file Formula: - C75 H144.01 B Fe Mo N14 O0.5 P Si3 -
Comments: Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M. Stabilization of the Dinitrogen Analogue, Phosphorus Nitride. ACS central science 6(9) (2020) 1572-1577
Space group: P -1
Cell volume: 4369.7
Cell parameters: 15.5829; 15.7156; 20.1841; 90.527; 102.106; 114.566;  

COD ID: 4518002
CIF file Formula: - C75 H144 B Fe Mo N14 O0.5 P Si3 -
Comments: Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M. Stabilization of the Dinitrogen Analogue, Phosphorus Nitride. ACS central science 6(9) (2020) 1572-1577
Space group: P -1
Cell volume: 4371.8
Cell parameters: 15.5851; 15.7181; 20.1884; 90.525; 102.11; 114.568;  

COD ID: 4518003
CIF file Formula: - C74.99 H143.98 B Fe Mo N14 O0.51 P Si3 -
Comments: Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M. Stabilization of the Dinitrogen Analogue, Phosphorus Nitride. ACS central science 6(9) (2020) 1572-1577
Space group: P -1
Cell volume: 4371.6
Cell parameters: 15.5853; 15.718; 20.1871; 90.525; 102.105; 114.569;  

COD ID: 4518004
CIF file Formula: - C74.96 H143.82 B Fe Mo N14 O0.54 P Si3 -
Comments: Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M. Stabilization of the Dinitrogen Analogue, Phosphorus Nitride. ACS central science 6(9) (2020) 1572-1577
Space group: P -1
Cell volume: 4374.9
Cell parameters: 15.5855; 15.7156; 20.2048; 90.537; 102.134; 114.548;  

COD ID: 4518005
CIF file Formula: - C75.03 H144.11 B Fe Mo N14 O0.47 P Si3 -
Comments: Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M. Stabilization of the Dinitrogen Analogue, Phosphorus Nitride. ACS central science 6(9) (2020) 1572-1577
Space group: P -1
Cell volume: 4378.5
Cell parameters: 15.5883; 15.7107; 20.2311; 90.545; 102.223; 114.537;  

COD ID: 4518006
CIF file Formula: - C74.98 H143.92 B Fe Mo N14 O0.52 P Si3 -
Comments: Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M. Stabilization of the Dinitrogen Analogue, Phosphorus Nitride. ACS central science 6(9) (2020) 1572-1577
Space group: P -1
Cell volume: 4381.3
Cell parameters: 15.5911; 15.7056; 20.2558; 90.557; 102.29; 114.548;  

COD ID: 4518007
CIF file Formula: - C75.04 H144.17 B Fe Mo N14 O0.46 P Si3 -
Comments: Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M. Stabilization of the Dinitrogen Analogue, Phosphorus Nitride. ACS central science 6(9) (2020) 1572-1577
Space group: P -1
Cell volume: 4384.6
Cell parameters: 15.5964; 15.705; 20.2728; 90.555; 102.339; 114.568;  

COD ID: 4518008
CIF file Formula: - C75.04 H144.15 B Fe Mo N14 O0.46 P Si3 -
Comments: Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M. Stabilization of the Dinitrogen Analogue, Phosphorus Nitride. ACS central science 6(9) (2020) 1572-1577
Space group: P -1
Cell volume: 4386.8
Cell parameters: 15.5984; 15.7039; 20.2878; 90.557; 102.371; 114.583;  

COD ID: 4518009
CIF file Formula: - C75.05 H144.18 B Fe Mo N14 O0.45 P Si3 -
Comments: Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M. Stabilization of the Dinitrogen Analogue, Phosphorus Nitride. ACS central science 6(9) (2020) 1572-1577
Space group: P -1
Cell volume: 4389.3
Cell parameters: 15.6007; 15.7039; 20.3019; 90.554; 102.407; 114.596;  

COD ID: 4518010
CIF file Formula: - C75.05 H144.21 B Fe Mo N14 O0.45 P Si3 -
Comments: Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M. Stabilization of the Dinitrogen Analogue, Phosphorus Nitride. ACS central science 6(9) (2020) 1572-1577
Space group: P -1
Cell volume: 4389.3
Cell parameters: 15.6017; 15.7015; 20.3141; 90.572; 102.466; 114.617;  

COD ID: 4518055
CIF file Formula: - C36 H24 Cl2 F6 P2 Pt -
Comments: Pham, Dianne; Deter, Carly J.; Reinard, Mariah C.; Gibson, Gregory A.; Kiselyov, Kirill; Yu, Wangjie; Sandulache, Vlad C.; St. Croix, Claudette M.; Koide, Kazunori Using Ligand-Accelerated Catalysis to Repurpose Fluorogenic Reactions for Platinum or Copper ACS Central Science (2020)
Space group: P 1 21/c 1
Cell volume: 3296.5
Cell parameters: 10.2481; 10.8413; 29.7499; 90; 94.192; 90;  

COD ID: 4518096
CIF file Formula: - C182 H240 Ag30 B80 N4 O4 P12 S24 -
Comments: Huang, Jia-Hong; Wang, Zhao-Yang; Zang, Shuang-Quan; Mak, Thomas C. W. Spontaneous Resolution of Chiral Multi-Thiolate-Protected Ag30 Nanoclusters ACS Central Science (2020)
Space group: P 32 2 1
Cell volume: 25500.7
Cell parameters: 34.9242; 34.9242; 24.1417; 90; 90; 120;  

COD ID: 4518097
CIF file Formula: - C182 H240 Ag30 B80 N4 O4 P12 S24 -
Comments: Huang, Jia-Hong; Wang, Zhao-Yang; Zang, Shuang-Quan; Mak, Thomas C. W. Spontaneous Resolution of Chiral Multi-Thiolate-Protected Ag30 Nanoclusters ACS Central Science (2020)
Space group: P 31 2 1
Cell volume: 25369.6
Cell parameters: 34.8668; 34.8668; 24.0968; 90; 90; 120;  

COD ID: 4518148
CIF file Formula: - C42 H28 Br2 F12 N6 Os P2 -
Comments: Ravetz, Benjamin D.; Tay, Nicholas E. S.; Joe, Candice L.; Sezen-Edmonds, Melda; Schmidt, Michael A.; Tan, Yichen; Janey, Jacob M.; Eastgate, Martin D.; Rovis, Tomislav Development of a Platform for Near-Infrared Photoredox Catalysis ACS Central Science (2020)
Space group: F d d d :2
Cell volume: 11220.3
Cell parameters: 8.9164; 49.9492; 25.1934; 90; 90; 90;  

COD ID: 4518637
CIF file Formula: - C15 H20 O4 -
Comments: Alwaseem, Hanan; Giovani, Simone; Crotti, Michele; Welle, Kevin; Jordan, Craig T.; Ghaemmaghami, Sina; Fasan, Rudi Comprehensive Structure‒Activity Profiling of Micheliolide and its Targeted Proteome in Leukemia Cells via Probe-Guided Late-Stage C‒H Functionalization ACS Central Science (2021)
Space group: C 2 2 21
Cell volume: 2648.79
Cell parameters: 10.3954; 15.042; 16.9395; 90; 90; 90;  

COD ID: 4518712
CIF file Formula: - C75 H68 -
Comments: Maust, Ruth L.; Li, Penghao; Shao, Baihao; Zeitler, Sarah M.; Sun, Peiguan B.; Reid, Harrison W.; Zakharov, Lev N.; Golder, Matthew R.; Jasti, Ramesh Controlled Polymerization of Norbornene Cycloparaphenylenes Expands Carbon Nanomaterials Design Space ACS Central Science (2021)
Space group: P 1 21/c 1
Cell volume: 6071.8
Cell parameters: 6.5747; 28.3155; 32.6239; 90; 91.334; 90;  

COD ID: 4518713
CIF file Formula: - C53 H36 -
Comments: Maust, Ruth L.; Li, Penghao; Shao, Baihao; Zeitler, Sarah M.; Sun, Peiguan B.; Reid, Harrison W.; Zakharov, Lev N.; Golder, Matthew R.; Jasti, Ramesh Controlled Polymerization of Norbornene Cycloparaphenylenes Expands Carbon Nanomaterials Design Space ACS Central Science (2021)
Space group: R 3 c :H
Cell volume: 18604.2
Cell parameters: 16.3451; 16.3451; 80.409; 90; 90; 120;  

COD ID: 4518714
CIF file Formula: - C25 H22 Br2 O2 -
Comments: Maust, Ruth L.; Li, Penghao; Shao, Baihao; Zeitler, Sarah M.; Sun, Peiguan B.; Reid, Harrison W.; Zakharov, Lev N.; Golder, Matthew R.; Jasti, Ramesh Controlled Polymerization of Norbornene Cycloparaphenylenes Expands Carbon Nanomaterials Design Space ACS Central Science (2021)
Space group: P 1 21/c 1
Cell volume: 2093.36
Cell parameters: 12.3702; 15.2429; 12.0344; 90; 112.703; 90;  

COD ID: 4518715
CIF file Formula: - C71 H64 O3 -
Comments: Maust, Ruth L.; Li, Penghao; Shao, Baihao; Zeitler, Sarah M.; Sun, Peiguan B.; Reid, Harrison W.; Zakharov, Lev N.; Golder, Matthew R.; Jasti, Ramesh Controlled Polymerization of Norbornene Cycloparaphenylenes Expands Carbon Nanomaterials Design Space ACS Central Science (2021)
Space group: P -1
Cell volume: 5456.4
Cell parameters: 9.9507; 17.1984; 32.214; 82.982; 85.75; 89.947;  

COD ID: 4518917
CIF file Formula: - C42 H66 N4 O13 Si2 -
Comments: Huseman, Eric D.; Byl, Jo Ann W.; Chapp, Scott M.; Schley, Nathan D.; Osheroff, Neil; Townsend, Steven D. Synthesis and Cytotoxic Evaluation of Arimetamycin A and Its Daunorubicin and Doxorubicin Hybrids ACS Central Science (2021)
Space group: P 1 21 1
Cell volume: 2371.11
Cell parameters: 8.02112; 11.95004; 24.8127; 90; 94.4773; 90;  


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