# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-03T01:39:59+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'ACS Central Science') AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"4514920","8.5277","0.0001","7.6795","0.0001","13.5715","0.0001","90","","91.593","0.001","90","","888.433","0.017","100.01","0.1","100.01","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- Cl5 H24 N9 O2 Ru2 -","- Cl4.5 H24 N9 O2 Ru2 -","- Cl9 H48 N18 O4 Ru4 -","2","0.25","","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","2019","5","1","153","166","10.1021/acscentsci.8b00773","","x-ray","1.54184","CuKα","","0.055","0.0547","","","0.1425","0.1427","","","","","","1.066","","","","has coordinates,has disorder","220083","2020-10-21","18:00:00",""
"4514921","10.0036","0.0001","10.0036","0.0001","37.9277","0.0003","90","","90","","120","","3287","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C8 H32 Cl5 N9 O Ru2 -","- C8 H32 Cl5 N9 O Ru2 -","- C48 H192 Cl30 N54 O6 Ru12 -","6","0.5","","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","2019","5","1","153","166","10.1021/acscentsci.8b00773","","x-ray","1.54184","CuKα","","0.0171","0.0168","","","0.0427","0.043","","","","","","1.07","","","","has coordinates,has disorder","220083","2020-10-21","18:00:00",""
"4514922","4.5694","0.0012","11.748","0.003","19.504","0.004","90","","94.147","0.014","90","","1044.3","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H6 I3 N3 Pb -","- C H6 I3 N3 Pb -","- C4 H24 I12 N12 Pb4 -","4","1","","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","2019","5","8","1377","1386","10.1021/acscentsci.9b00367","","x-ray","0.71073","MoKα","","0.0234","0.0233","","","0.0523","0.0523","","","","","","1.389","","","","has coordinates","220084","2020-10-21","18:00:00",""
"4514923","45.146","0.016","8.814","0.003","8.695","0.003","90","","100.03","0.005","90","","3407","2","100","2","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H38 I7 N3 Pb2 -","- C13 H38 I7 N3 Pb2 -","- C52 H152 I28 N12 Pb8 -","4","0.5","","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","2019","5","8","1377","1386","10.1021/acscentsci.9b00367","","x-ray","0.71073","MoKα","","0.0241","0.0211","","","0.0496","0.0509","","","","","","1.061","","","","has coordinates,has disorder","220085","2020-10-21","18:00:00",""
"4514924","15.4952","0.0004","15.2588","0.0004","27.3371","0.0007","90","","91.4479","0.0012","90","","6461.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38.51 H46.04 B18 Cl18 O2.49 P2 Pd2 -","- C38.51 H46.04 B18 Cl18 O2.49 P2 Pd2 -","- C154.04 H184.16 B72 Cl72 O9.96 P8 Pd8 -","4","1","","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","2019","5","9","1507","1513","10.1021/acscentsci.9b00403","","","0.71073","MoKα","","0.0438","0.0313","","","0.0644","0.0702","","","","","","1.029","","","","has coordinates,has disorder","220086","2020-10-21","18:00:00",""
"4514925","13.05","0.003","12.04","0.002","13.06","0.003","107.57","0.03","91.15","0.03","123.19","0.03","1592.4","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H56 B18 Cl18 O2 P2 Pd2 -","- C44 H56 B18 Cl18 O4 P2 Pd2 -","- C44 H56 B18 Cl18 O4 P2 Pd2 -","1","0.5","","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","2019","5","9","1507","1513","10.1021/acscentsci.9b00403","","","0.01969","300KeVelectrons","","0.2155","0.1822","","","0.3798","0.4004","","","","","","1.929","","","","has coordinates,has disorder","220087","2020-10-21","18:00:00",""
"4514926","10.01","0.002","31.78","0.006","13.34","0.003","90","0.03","90.15","0.03","90","0.03","4243.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(triphenylphosphine)rhodium carbonyl hydride","","- C220 H184 O4 P12 Rh4 -","- C220 H184 O4 P12 Rh4 -","- C220 H184 O4 P12 Rh4 -","1","0.25","","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","2019","5","9","1507","1513","10.1021/acscentsci.9b00403","","","0.01969","300KeVelectrons","","0.1604","0.1324","","","0.3182","0.3401","","","","","","1.674","","","","has coordinates","220088","2020-10-21","18:00:00",""
"4514927","19.76","0.004","10.1","0.002","14.58","0.003","90","0.03","90","0.03","90","0.03","2909.8","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","[1,1?-Bis(diphenylphosphino)ferrocene]dichloronickel(II)","","- C136 H112 Cl8 Fe4 Ni4 P8 -","- C136 H112 Cl8 Fe4 Ni4 P8 -","- C136 H112 Cl8 Fe4 Ni4 P8 -","1","0.25","","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","2019","5","9","1507","1513","10.1021/acscentsci.9b00403","","","0.01969","300KeVelectrons","","0.1239","0.1125","","","0.2599","0.274","","","","","","1.583","","","","has coordinates","220089","2020-10-21","18:00:00",""
"4514928","15.52","0.003","13.41","0.003","16.49","0.003","90","0.03","90","0.03","90","0.03","3432","1.2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C120 H168 Fe8 O48 -","- C120 H168 Fe8 O48 -","- C120 H168 Fe8 O48 -","1","0.125","","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","2019","5","9","1507","1513","10.1021/acscentsci.9b00403","","","0.01969","","","0.2014","0.1607","","","0.3583","0.3941","","","","","","1.826","","","","has coordinates","220090","2020-10-21","18:00:00",""
"4514929","7.21","0.0014","9.2","0.0018","13.84","0.003","90","","90","","90","","918","0.3","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","Schwartz reagent","Bis(cyclopentadienyl)zirconium(IV) chloride hydride","","- C10 H11 Cl Zr -","- C10 H11 Cl Zr -","- C40 H44 Cl4 Zr4 -","4","0.5","","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","2019","5","9","1507","1513","10.1021/acscentsci.9b00403","","","0.01969","300KeVelectrons","","0.1645","0.1495","","","0.3625","0.3785","","","","","","2.254","","","","has coordinates","220091","2020-10-21","18:00:00",""
"4514930","9.68","0.002","25.65","0.005","16.08","0.003","90","0.03","92.63","0.03","90","0.03","3988.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Grubbs catalyst","Benzylidene-bis(tricyclohexylphosphino)-dichlororuthenium","","- C172 H288 Cl8 P8 Ru4 -","- C172 H288 Cl8 P8 Ru4 -","- C172 H288 Cl8 P8 Ru4 -","1","0.25","","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","2019","5","9","1507","1513","10.1021/acscentsci.9b00403","","","0.01969","300KeVelectrons","","0.1882","0.1595","","","0.3788","0.3997","","","","","","1.803","","","","has coordinates","220092","2020-10-21","18:00:00",""
"4514931","10.2","0.002","17.04","0.003","19.9","0.004","90","0.03","90","0.03","90","0.03","3458.8","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","PdPHOX","","","- C168 H160 N4 O8 P4 Pd4 -","- C168 H160 N4 O8 P4 Pd4 -","- C168 H160 N4 O8 P4 Pd4 -","1","0.25","","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","2019","5","9","1507","1513","10.1021/acscentsci.9b00403","","","0.01969","300KeVelectrons","","0.1764","0.1432","","","0.3168","0.3504","","","","","","1.301","","","","has coordinates","220093","2020-10-21","18:00:00",""
"4515843","9.277","0.0003","9.4109","0.0004","15.355","0.0007","101.755","0.002","103.438","0.002","106.361","0.002","1197.89","0.09","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 F3 Ir N O3 -","- C22 H23 F3 Ir N O3 -","- C44 H46 F6 Ir2 N2 O6 -","2","1","","Kim, Youyoung; Park, Yoonsu; Chang, Sukbok","Delineating Physical Organic Parameters in Site-Selective C-H Functionalization of Indoles.","ACS central science","2018","4","6","768","775","10.1021/acscentsci.8b00264","","","0.71073","MoKα","","0.0352","0.0264","","","0.0533","0.0554","","","","","","1.013","","","","has coordinates","225943","2020-10-21","18:00:00",""
"4515844","17.1548","0.0008","5.2806","0.0002","18.3203","0.0008","90","","97.2991","0.0019","90","","1646.14","0.12","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O3 S -","- C18 H18 N2 O3 S -","- C72 H72 N8 O12 S4 -","4","1","","Kim, Youyoung; Park, Yoonsu; Chang, Sukbok","Delineating Physical Organic Parameters in Site-Selective C-H Functionalization of Indoles.","ACS central science","2018","4","6","768","775","10.1021/acscentsci.8b00264","","","0.71073","MoKα","","0.0693","0.0454","","","0.1096","0.123","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515845","9.6211","0.0003","10.9933","0.0004","14.575","0.0004","81.373","0.002","79.858","0.002","67.962","0.002","1400.64","0.08","426","2","426","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H30 F3 Ir N2 O5 S -","- C29 H30 F3 Ir N2 O5 S -","- C58 H60 F6 Ir2 N4 O10 S2 -","2","1","","Kim, Youyoung; Park, Yoonsu; Chang, Sukbok","Delineating Physical Organic Parameters in Site-Selective C-H Functionalization of Indoles.","ACS central science","2018","4","6","768","775","10.1021/acscentsci.8b00264","","","0.71073","MoKα","","0.0263","0.0232","","","0.0574","0.0597","","","","","","1.122","","","","has coordinates","225945","2020-10-21","18:00:00",""
"4515846","18.636","0.003","18.636","0.003","8.2243","0.0015","90","","90","","90","","2856.3","0.8","298","2","298.15","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","0.5","","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","2018","4","9","1194","1200","10.1021/acscentsci.8b00378","","","0.71073","MoKα","","0.1009","0.08","","","0.1794","0.1935","","","","","","1.11","","","","has coordinates","225946","2020-10-21","18:00:00",""
"4515847","18.855","0.004","18.855","0.004","8.0473","0.0019","90","","90","","90","","2860.9","1.1","298","2","298.15","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","0.5","","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","2018","4","9","1194","1200","10.1021/acscentsci.8b00378","","","0.71073","MoKα","","0.0472","0.0428","","","0.104","0.1065","","","","","","1.032","","","","has coordinates","225947","2020-10-21","18:00:00",""
"4515848","16.85","0.004","16.855","0.004","7.7979","0.0018","90","","90","","90","","2214.7","0.9","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","1","","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","2018","4","9","1194","1200","10.1021/acscentsci.8b00378","","","0.71073","MoKα","","0.0919","0.0715","","","0.1171","0.1231","","","","","","1.161","","","","has coordinates","225948","2020-10-21","18:00:00",""
"4515849","18.6204","0.0014","18.6204","0.0014","8.2532","0.0006","90","","90","","90","","2861.5","0.4","298","2","298.15","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","0.5","","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","2018","4","9","1194","1200","10.1021/acscentsci.8b00378","","","0.71073","MoKα","","0.0957","0.0856","","","0.1842","0.1935","","","","","","1.195","","","","has coordinates","225949","2020-10-21","18:00:00",""
"4515850","12.026","0.006","12.302","0.006","14.145","0.007","72.461","0.008","79.742","0.008","64.354","0.008","1796","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 B2 Co F8 N10 -","- C25 H24 B2 Co F8 N10 -","- C50 H48 B4 Co2 F16 N20 -","2","1","","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","2018","4","3","397","404","10.1021/acscentsci.7b00607","","","0.71073","MoKα","","0.1264","0.0868","","","0.2252","0.2609","","","","","","1.046","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515851","10.1224","0.0007","11.5342","0.0008","12.3686","0.0008","84.499","0.005","89.722","0.005","77.529","0.005","1403.33","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Alon091216","","","- C26 H28 B2 Co F8 N8 O -","- C26 H28 B2 Co F8 N8 O -","- C52 H56 B4 Co2 F16 N16 O2 -","2","1","","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","2018","4","3","397","404","10.1021/acscentsci.7b00607","","","1.54178","CuKα","","0.0858","0.0698","","","0.1861","0.1986","","","","","","1.043","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515852","10.09","0.005","11.516","0.005","12.743","0.006","83.756","0.006","87.48","0.006","77.894","0.006","1438.8","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Alon92116","","","- C24 H23 B2 Co F8 N9 -","- C24 H23 B2 Co F8 N9 -","- C48 H46 B4 Co2 F16 N18 -","2","1","","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","2018","4","3","397","404","10.1021/acscentsci.7b00607","","","0.71073","MoKα","","0.0664","0.0563","","","0.1545","0.1636","","","","","","1.035","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515853","11.1267","0.0014","11.9052","0.0015","12.2051","0.0016","106.688","0.008","101.505","0.008","100.107","0.008","1470.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Alon082916","","","- C25 H30 B2 Co F8 N8 O3 -","- C25 H30 B2 Co F8 N8 O3 -","- C50 H60 B4 Co2 F16 N16 O6 -","2","1","","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","2018","4","3","397","404","10.1021/acscentsci.7b00607","","","1.54178","CuKα","","0.202","0.0894","","","0.2097","0.2724","","","","","","1.005","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4516745","13.839","0.004","13.839","0.004","24.216","0.009","90","","90","","90","","4638","3","110","2","110","2","","","","","","","","6","P 43","P 4cw","78","","","","- C44 H60 Cl3 Co N6 O4 -","- C44 H60 Cl3 Co N6 O4 -","- C176 H240 Cl12 Co4 N24 O16 -","4","1","","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","2015","1","1","50","56","10.1021/acscentsci.5b00035","","","0.71073","MoKα","","0.0501","0.0442","","","0.1171","0.122","","","","","","1.059","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516746","13.8725","0.0007","13.8725","0.0007","24.3173","0.0013","90","","90","","90","","4679.8","0.4","110","2","110","2","","","","","","","","6","P 41","P 4w","76","","","","- C44.88 H61.54 Cl3 Co N6 O3.88 -","- C44.88 H61.52 Cl3 Co N6 O3.88 -","- C179.52 H246.08 Cl12 Co4 N24 O15.52 -","4","1","","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","2015","1","1","50","56","10.1021/acscentsci.5b00035","","","1.54178","CuKα","","0.051","0.0407","","","0.0841","0.0871","","","","","","1.071","","","","has coordinates,has disorder","239505","2020-10-21","18:00:00",""
"4516747","12.0877","0.0006","25.0985","0.0014","16.8235","0.0008","90","","90.887","0.003","90","","5103.4","0.5","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H146 Cl6 Co2 N12 O25 -","- C84 H146 Cl6 Co2 N12 O25 -","- C168 H292 Cl12 Co4 N24 O50 -","2","1","","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","2015","1","1","50","56","10.1021/acscentsci.5b00035","","","1.54178","CuKα","","0.0807","0.0746","","","0.1791","0.183","","","","","","1.149","","","","has coordinates","239506","2020-10-21","18:00:00",""
"4516748","5.9867","0.0007","13.6517","0.0015","8.5379","0.0009","90","","97.16","0.006","90","","692.35","0.13","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O5 -","- C14 H22 O5 -","- C28 H44 O10 -","2","1","","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","2016","2","1","27","31","10.1021/acscentsci.5b00345","","x-ray","1.54178","CuKα","","0.0291","0.0287","","","0.0737","0.0743","","","","","","1.096","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516749","12.3053","0.0009","12.3053","0.0009","12.3053","0.0009","90","","90","","90","","1863.3","0.2","296","2","296","2","","","","","","","","5","I m -3","-I 2 2 3","204","MAPbI3","","","- C H6 I3 N Pb -","- C I3 N1.00005 Pb -","- C8 I24 N8.0004 Pb8 -","8","0.166667","","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","2016","2","4","201","209","10.1021/acscentsci.6b00055","","","0.35424","synchrotron","","0.1138","0.0949","","","0.2824","0.3255","","","","","","1.145","","","","has coordinates","239508","2020-10-21","18:00:00",""
"4516750","11.5","0.005","11.5","0.005","11.5","0.005","90","","90","","90","","1520.9","1.1","296","2","296","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C H6 Br3 N Pb -","- C0.9999 Br3 N0.9999 Pb -","- C7.9992 Br24 N7.9992 Pb8 -","8","0.166667","","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","2016","2","4","201","209","10.1021/acscentsci.6b00055","","","0.35424","synchrotron","","0.0891","0.0607","","","0.1562","0.1765","","","","","","1.197","","","","has coordinates","239509","2020-10-21","18:00:00",""
"4516751","5.9328","0.0014","5.9328","0.0014","5.9328","0.0014","90","","90","","90","","208.82","0.09","296","2","296","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C H6 Br3 N Pb -","- C0.9998 Br3 N0.9998 Pb -","- C0.9998 Br3 N0.9998 Pb -","1","0.0208333","","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","2016","2","4","201","209","10.1021/acscentsci.6b00055","","","0.7293","synchrotron","","0.0153","0.0153","","","0.0408","0.0408","","","","","","1.274","","","","has coordinates,has disorder","239510","2020-10-21","18:00:00",""
"4516752","12.4984","0.0007","12.5181","0.0007","12.6012","0.0008","90","","90","","90","","1971.5","0.2","296","2","296","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C H6 I3 N Pb -","- C I3 N Pb -","- C8 I24 N8 Pb8 -","8","0.25","","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","2016","2","4","201","209","10.1021/acscentsci.6b00055","","","0.6888","synchrotron","","0.0731","0.0555","","","0.1831","0.1948","","","","","","1.114","","","","has coordinates","239511","2020-10-21","18:00:00",""
"4516753","10.90121","0.00007","15.32686","0.00008","23.05188","0.00014","90","","103.525","0.0006","90","","3744.73","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N3 O S -","- C22 H20 N3 O S -","- C176 H160 N24 O8 S8 -","8","2","","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","2016","2","10","687","701","10.1021/acscentsci.6b00086","","","1.5418","CuKα","","0.0468","0.0434","","","0.1217","0.1249","","","","","","1.48","","","","has coordinates","239512","2020-10-21","18:00:00",""
"4516754","14.8484","0.0007","7.4553","0.0003","19.0765","0.0008","90","","91.789","0.004","90","","2110.73","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F N3 O2 S -","- C24 H20 F N3 O2 S -","- C96 H80 F4 N12 O8 S4 -","4","1","","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","2016","2","10","687","701","10.1021/acscentsci.6b00086","","","1.5418","CuKα","","0.0538","0.0408","","","0.1008","0.1093","","","","","","1.101","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516755","10.1845","0.0003","14.5371","0.0003","17.6442","0.0004","85.8106","0.0018","79.751","0.002","75.672","0.002","2489.48","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 F3 N3 O S -","- C28 H26 F3 N3 O S -","- C112 H104 F12 N12 O4 S4 -","4","2","","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","2016","2","10","687","701","10.1021/acscentsci.6b00086","","","1.5418","CuKα","","0.0568","0.0497","","","0.1281","0.1336","","","","","","1.362","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516756","8.7272","0.0002","11.5408","0.0002","12.2161","0.0002","85.6","0.002","78.315","0.002","72.701","0.002","1150.21","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 F3 N4 O S -","- C25 H19 F3.00001 N4 O S -","- C50 H38 F6.00001 N8 O2 S2 -","2","1","","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","2016","2","10","687","701","10.1021/acscentsci.6b00086","","","1.5418","CuKα","","0.0569","0.0559","","","0.1331","0.1338","","","","","","1.121","","","","has coordinates,has disorder","239515","2020-10-21","18:00:00",""
"4516757","6.4617","0.0002","18.6546","0.0007","9.1924","0.0004","90","","94.833","0.001","90","","1104.12","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Cl F3 I O2 -","- C9 H7 Cl F3 I O2 -","- C36 H28 Cl4 F12 I4 O8 -","4","1","","Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean","Isolation and Reactivity of Trifluoromethyl Iodonium Salts.","ACS central science","2016","2","5","341","350","10.1021/acscentsci.6b00119","","","0.71073","MoKα","","0.039","0.0376","","","0.0998","0.1013","","","","","","1.059","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516758","15.989","0.0009","8.7606","0.0005","19.0524","0.0011","90","","93.788","0.003","90","","2662.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 B F7 I O S0 -","- C10 H11 B F7 I O -","- C80 H88 B8 F56 I8 O8 -","8","2","","Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean","Isolation and Reactivity of Trifluoromethyl Iodonium Salts.","ACS central science","2016","2","5","341","350","10.1021/acscentsci.6b00119","","","0.71073","MoKα","","0.0565","0.048","","","0.1144","0.12","","","","","","1.092","","","","has coordinates","239517","2020-10-21","18:00:00",""
"4516759","18.8002","0.0013","16.2335","0.0011","15.7805","0.0011","90","","108.884","0.001","90","","4556.9","0.5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C8.5 H5.75 Cl F3 I N0.25 O2 -","- C8.5 H5.75 Cl F3 I N0.25 O2 -","- C136 H92 Cl16 F48 I16 N4 O32 -","16","4","","Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean","Isolation and Reactivity of Trifluoromethyl Iodonium Salts.","ACS central science","2016","2","5","341","350","10.1021/acscentsci.6b00119","","","0.71073","MoKα","","0.0291","0.028","","","0.0684","0.0692","","","","","","1.126","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516760","12.0089","0.0004","25.0752","0.0009","12.5156","0.0004","90","","115.465","0.001","90","","3402.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl F7 I Si -","- C12 H13 Cl F7 I Si -","- C96 H104 Cl8 F56 I8 Si8 -","8","2","","Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean","Isolation and Reactivity of Trifluoromethyl Iodonium Salts.","ACS central science","2016","2","5","341","350","10.1021/acscentsci.6b00119","","","0.71073","MoKα","","0.0263","0.0246","","","0.0561","0.0569","","","","","","1.095","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516761","8.1777","0.0004","17.9834","0.0008","8.8898","0.0004","90","","115.825","0.001","90","","1176.79","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Cl F3 I O -","- C10 H11 Cl F3 I O -","- C40 H44 Cl4 F12 I4 O4 -","4","1","","Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean","Isolation and Reactivity of Trifluoromethyl Iodonium Salts.","ACS central science","2016","2","5","341","350","10.1021/acscentsci.6b00119","","","0.71073","MoKα","","0.0401","0.0376","","","0.0784","0.0793","","","","","","1.319","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516762","11.2059","0.0011","13.8263","0.0013","9.0501","0.0009","90","","94.868","0.002","90","","1397.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl F3 I O2 -","- C12 H13 Cl F3 I O2 -","- C48 H52 Cl4 F12 I4 O8 -","4","1","","Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean","Isolation and Reactivity of Trifluoromethyl Iodonium Salts.","ACS central science","2016","2","5","341","350","10.1021/acscentsci.6b00119","","","0.71073","MoKα","","0.03","0.0262","","","0.0623","0.0647","","","","","","1.138","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516763","17.8318","0.0007","17.9175","0.0007","20.2085","0.0008","90","","90","","90","","6456.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 N4 O S -","- C34 H44 N4 O S -","- C272 H352 N32 O8 S8 -","8","2","","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","2016","2","6","416","423","10.1021/acscentsci.6b00125","","","0.71073","MoKα","","0.063","0.0403","","","0.0751","0.0817","","","","","","1.014","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516764","11.9463","0.0005","14.2569","0.0006","12.379","0.0005","90","","115.498","0.0007","90","","1903","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H56 N4 O2 S -","- C39 H56 N4 O2 S -","- C78 H112 N8 O4 S2 -","2","1","","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","2016","2","6","416","423","10.1021/acscentsci.6b00125","","","0.71073","MoKα","","0.0986","0.0898","","","0.1818","0.1864","","","","","","1.07","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516765","5.6658","0.0001","13.9473","0.0003","16.7395","0.0004","90","","90","","90","","1322.8","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","1","","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","2016","2","6","416","423","10.1021/acscentsci.6b00125","","","1.54178","CuKα","","0.0287","0.0279","","","0.0701","0.0707","","","","","","1.04","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516766","5.9577","0.0003","24.1397","0.0013","9.4019","0.0005","90","","90","","90","","1352.15","0.12","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C11 H19 Cs O4 -","- C11 H19 Cs O4 -","- C44 H76 Cs4 O16 -","4","0.5","","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","2016","2","6","416","423","10.1021/acscentsci.6b00125","","","0.71073","MoKα","","0.0506","0.0291","","","0.0412","0.0453","","","","","","1.07","","","","has coordinates,has disorder","239522","2020-10-21","18:00:00",""
"4516767","17.5978","0.0005","17.5978","0.0005","10.1363","0.0004","90","","90","","120","","2718.48","0.15","100","2","100","2","","","","","","","","5","P 61","P 61","169","azide_6b","azide_6b","","- C16 H16 F3 N3 O6 -","- C16 H16 F3 N3 O6 -","- C96 H96 F18 N18 O36 -","6","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0467","0.0453","","","0.1389","0.1404","","","","","","1.17","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516768","6.1715","0.0003","10.419","0.0006","22.9681","0.0013","90","","90","","90","","1476.87","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","azide_3h","azide_3h","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C60 H92 N12 O12 -","4","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0301","0.0299","","","0.0825","0.0826","","","","","","1.104","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516769","12.8744","0.0007","11.4434","0.0007","13.9437","0.0008","90","","107.307","0.002","90","","1961.3","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","azide_6c","azide_6c","","- C45 H58 F3 N3 O4 -","- C45 H58 F3 N3 O4 -","- C90 H116 F6 N6 O8 -","2","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0395","0.0382","","","0.103","0.1041","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516770","10.1594","0.0005","6.5226","0.0003","11.7589","0.0005","90","","100.773","0.003","90","","765.48","0.06","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","azide_3f","azide_3f","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C30 H46 N6 O6 -","2","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0559","0.048","","","0.1239","0.131","","","","","","1.071","","","","has coordinates","239526","2020-10-21","18:00:00",""
"4516771","9.591","0.0006","10.1778","0.0006","11.4314","0.0007","90","","102.57","0.002","90","","1089.13","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","azide_6f","azide_6f","","- C24 H26 F3 N5 O4 -","- C24 H26 F3 N5 O4 -","- C48 H52 F6 N10 O8 -","2","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0291","0.0291","","","0.0766","0.0767","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516772","17.681","0.002","5.8685","0.0007","14.2464","0.0019","90","","98.134","0.008","90","","1463.3","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","azide_3g","azide_3g","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C60 H92 N12 O12 -","4","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0456","0.0433","","","0.1121","0.1151","","","","","","1.063","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516773","7.9614","0.0005","10.5937","0.0007","17.3592","0.0011","90","","93.179","0.003","90","","1461.83","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","azide_6e","azide_6e","","- C27 H38 F3 N3 O9 -","- C27 H38 F3 N3 O9 -","- C54 H76 F6 N6 O18 -","2","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0394","0.0386","","","0.105","0.1056","","","","","","1.057","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516774","5.8607","0.0003","13.4039","0.0007","18.8487","0.001","90","","90","","90","","1480.68","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","azide_3i","azide_3i","","- C15 H25 N3 O -","- C15 H25 N3 O -","- C60 H100 N12 O4 -","4","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0309","0.03","","","0.0779","0.0785","","","","","","1.06","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516775","8.1836","0.0002","10.5248","0.0002","13.9957","0.0003","90","","103.058","0.001","90","","1174.29","0.04","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","azide_4c","azide_4c","","- C22 H26 N6 O7 -","- C22 H26 N6 O7 -","- C44 H52 N12 O14 -","2","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0439","0.0387","","","0.0963","0.1005","","","","","","1.043","","","","has coordinates,has disorder","239531","2020-10-21","18:00:00",""
"4516776","9.7605","0.0008","11.09","0.0009","13.2025","0.0011","109.848","0.004","103.373","0.004","96.594","0.004","1278.22","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H40 Co N O P2 -","- C25 H40 Co N O P2 -","- C50 H80 Co2 N2 O2 P4 -","2","1","","Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J.","Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling.","ACS central science","2016","2","12","935","942","10.1021/acscentsci.6b00283","","","0.71073","MoKα","","0.0311","0.0262","","","0.0663","0.0691","","","","","","1.057","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516777","10.439","0.0004","10.563","0.0003","13.6925","0.0005","67.685","0.001","73.201","0.001","74.555","0.001","1316.09","0.08","106","2","106","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H40 Co N O2 P2 -","- C26 H40 Co N O2 P2 -","- C52 H80 Co2 N2 O4 P4 -","2","1","","Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J.","Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling.","ACS central science","2016","2","12","935","942","10.1021/acscentsci.6b00283","","","0.71073","MoKα","","0.0272","0.0251","","","0.0661","0.0677","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516778","12.171","0.002","12.756","0.002","17.977","0.003","90","","102.445","0.007","90","","2725.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 Co N O P2 -","- C27 H40 Co N O P2 -","- C108 H160 Co4 N4 O4 P8 -","4","1","","Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J.","Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling.","ACS central science","2016","2","12","935","942","10.1021/acscentsci.6b00283","","","0.71073","MoKα","","0.0542","0.0366","","","0.0824","0.0906","","","","","","1.046","","","","has coordinates","239532","2020-10-21","18:00:00",""
"4516779","21.8371","0.0005","9.5233","0.0002","15.8508","0.0003","90","","98.396","0.001","90","","3261.02","0.12","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H45 Co N O4 P2 -","- C33 H45 Co N O4 P2 -","- C132 H180 Co4 N4 O16 P8 -","4","0.5","","Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J.","Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling.","ACS central science","2016","2","12","935","942","10.1021/acscentsci.6b00283","","","1.54178","CuKα","","0.0309","0.0276","","","0.0787","0.0974","","","","","","1.254","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516780","10.1526","0.0004","11.188","0.0004","11.4068","0.0004","90","","94.395","0.001","90","","1291.86","0.08","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C40 H70 Cl2 Co2 F6 N2 O6 P4 S2 -","- C40 H70 Cl2 Co2 F6 N2 O6 P4 S2 -","- C40 H70 Cl2 Co2 F6 N2 O6 P4 S2 -","1","0.5","","Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J.","Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling.","ACS central science","2016","2","12","935","942","10.1021/acscentsci.6b00283","","","1.54178","CuKα","","0.0633","0.0628","","","0.1785","0.1793","","","","","","1.117","","","","has coordinates","239532","2020-10-21","18:00:00",""
"4516781","8.2491","0.0002","10.4883","0.0002","11.6077","0.0003","82.052","0.001","77.374","0.002","88.501","0.001","970.58","0.04","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C38 H33 Cl4 N3 O13 -","- C38 H33 Cl4 N3 O13 -","- C38 H33 Cl4 N3 O13 -","1","1","","Chu, Hang; Smith, Joel M.; Felding, Jakob; Baran, Phil S.","Scalable Synthesis of (-)-Thapsigargin.","ACS central science","2017","3","1","47","51","10.1021/acscentsci.6b00313","","x-ray","1.54178","CuKα","","0.0427","0.0425","","","0.1295","0.1299","","","","","","1.205","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516782","18.9642","0.0008","11.2161","0.0004","13.5628","0.0005","90","","90","","90","","2884.87","0.19","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","CX-10-036","CX-10-036","","- C25 H33 N O8 -","- C25 H33 N O8 -","- C100 H132 N4 O32 -","4","1","","Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E.","Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine.","ACS central science","2017","3","4","278","282","10.1021/acscentsci.6b00361","","","1.54178","CuKα","","0.0824","0.0563","","","0.1375","0.1501","","","","","","1.055","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516783","8.7826","0.0004","22.1496","0.001","10.3099","0.0005","90","","109.928","0.002","90","","1885.5","0.15","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","CX-10-028","CX-10-028","","- C42 H48 B N O10 -","- C42 H48 B N O10 -","- C84 H96 B2 N2 O20 -","2","1","","Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E.","Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine.","ACS central science","2017","3","4","278","282","10.1021/acscentsci.6b00361","","","1.54178","CuKα","","0.0338","0.0311","","","0.0732","0.0747","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516784","10.9374","0.0003","11.9604","0.0003","27.4814","0.0007","90","","90","","90","","3595","0.16","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CX-10-076","CX-10-076","","- C33 H57 N O12 -","- C33 H57 N O12 -","- C132 H228 N4 O48 -","4","1","","Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E.","Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine.","ACS central science","2017","3","4","278","282","10.1021/acscentsci.6b00361","","","1.54178","CuKα","","0.0411","0.0389","","","0.1064","0.1083","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516785","20.8804","0.0007","20.8804","0.0007","11.5639","0.0005","90","","90","","120","","4366.3","0.3","100","","100","","","","","","","","","4","P 32","P 32","145","6-AH-235","6-AH-235","","- C58 H90.76 N2 O18.38 -","- C58 H90.764 N2 O18.382 -","- C174 H272.292 N6 O55.146 -","3","1","","Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E.","Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine.","ACS central science","2017","3","4","278","282","10.1021/acscentsci.6b00361","","","1.54178","CuKα","","0.0537","0.0448","","","0.1071","0.113","","","","","","1.023","","","","has coordinates","239537","2020-10-21","18:00:00",""
"4516786","3.8199","0.0017","19.117","0.009","25.488","0.012","90","","90","","90","","1861.3","1.5","123","2","123","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C27 H15 N3 O3 -","- C27 H15 N3 O3 -","- C108 H60 N12 O12 -","4","0.5","","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","2017","3","7","769","777","10.1021/acscentsci.7b00183","","","0.71075","MoKα","","0.1495","0.1323","","","0.2638","0.2726","","","","","","1.335","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516787","12.6909","0.0005","16.3914","0.001","20.9924","0.0009","81.335","0.004","76.622","0.004","80.613","0.004","4162.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Tris(3,4,7,8-tetramethyl-1,10-phenanthroline)nickel(II) ditetraphenylborate","'Tris(3,4,7,8-tetramethyl-1,10-phenanthroline)nickel(II) ditetraphenylborate'","","- C102 H100 B2 N6 Ni O2 -","- C102 H100 B2 N6 Ni O2 -","- C204 H200 B4 N12 Ni2 O4 -","2","1","","Bunescu, Ala; Lee, Sunwoo; Li, Qian; Hartwig, John F.","Catalytic Hydroxylation of Polyethylenes.","ACS central science","2017","3","8","895","903","10.1021/acscentsci.7b00255","","","0.71073","MoKα","","0.1297","0.072","","","0.1068","0.1305","","","","","","0.954","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516788","25.102","0.002","6.0323","0.0006","28.707","0.003","90","","111.423","0.005","90","","4046.6","0.7","100","2","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 O8 -","- C22 H26 O8 -","- C176 H208 O64 -","8","1","","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","2017","3","12","1329","1336","10.1021/acscentsci.7b00488","","x-ray","0.71073","MoKα","K-L~3~","0.0966","0.0592","","","0.1322","0.1539","","","","","","1.014","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516789","15.183","0.0005","6.01","0.0002","36.8552","0.0013","90","","95.228","0.002","90","","3349","0.2","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 O5 -","- C16 H22 O5 -","- C128 H176 O40 -","8","2","","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","2017","3","12","1329","1336","10.1021/acscentsci.7b00488","","x-ray","0.71073","MoKα","K-L~3~","0.0772","0.0544","","","0.1105","0.1197","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516790","24.26","0.004","24.26","0.004","24.26","0.004","90","","90","","90","","14278","4","100","","100","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C48 H72 N8 O44 Ti8 Zr2 -","- C48 H72 N8 O44 Ti8 Zr2 -","- C288 H432 N48 O264 Ti48 Zr12 -","6","0.0625","","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","2018","4","1","105","111","10.1021/acscentsci.7b00497","","","0.71073","MoKα","","0.0219","0.0187","","","0.0519","0.0535","","","","","","1.141","","","","has coordinates,has disorder","239542","2020-10-21","18:00:00",""
"4516791","12.064","0.003","13.543","0.003","13.806","0.003","104.331","0.003","109.519","0.003","110.62","0.003","1811.3","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H80 O44 Ti8 Zr2 -","- C48 H80 O44 Ti8 Zr2 -","- C48 H80 O44 Ti8 Zr2 -","1","0.5","","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","2018","4","1","105","111","10.1021/acscentsci.7b00497","","","0.71073","MoKα","","0.0667","0.0425","","","0.0888","0.0998","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516792","14.896","0.004","24.07","0.006","15.304","0.004","90","","91.287","0.004","90","","5486","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H80 O44 Ti8 Zr2 -","- C112 H80 O44 Ti8 Zr2 -","- C224 H160 O88 Ti16 Zr4 -","2","0.5","","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","2018","4","1","105","111","10.1021/acscentsci.7b00497","","","0.71073","MoKα","","0.0773","0.0475","","","0.0987","0.1108","","","","","","1.025","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4516793","32.89","0.007","32.89","0.007","73.485","0.015","90","","90","","120","","68843","3","100","2","100","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C134 H126 N2 O46 Ti8 Zr2 -","- C134 H126 N2 O46 Ti8 Zr2 -","- C2412 H2268 N36 O828 Ti144 Zr36 -","18","0.5","","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","2018","4","1","105","111","10.1021/acscentsci.7b00497","","","0.71073","MoKα","","0.129","0.0587","","","0.1409","0.1827","","","","","","1.006","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516794","15.818","0.012","35.48","0.03","18.356","0.014","90","","108.901","0.012","90","","9746","13","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C176 H208 O44 Ti8 Zr2 -","- C176 H208 O44 Ti8 Zr2 -","- C352 H416 O88 Ti16 Zr4 -","2","1","","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","2018","4","1","105","111","10.1021/acscentsci.7b00497","","","0.71073","MoKα","","0.3539","0.1501","","","0.335","0.4523","","","","","","0.968","","","","has coordinates","239542","2020-10-21","18:00:00",""
"4517440","15.2434","0.0007","7.8592","0.0002","15.5165","0.0009","90","","105.045","0.005","90","","1795.17","0.15","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H43 N3 O9 -","- C31.0006 H43.0015 N3 O9 -","- C62.0012 H86.003 N6 O18 -","2","1","","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","","","","","10.1021/acscentsci.0c00024","","","1.54184","CuKα","","0.1318","0.091","","","0.2251","0.2609","","","","","","1.048","","","","has coordinates,has disorder","248416","2020-10-21","18:00:00",""
"4517441","8.1886","0.0002","18.757","0.0003","20.4466","0.0004","90","","90","","90","","3140.47","0.11","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 N2 O10 -","- C29 H40 N2 O10 -","- C116 H160 N8 O40 -","4","1","","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","","","","","10.1021/acscentsci.0c00024","","","1.54184","CuKα","","0.041","0.0365","","","0.0941","0.0968","","","","","","1.037","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517442","12.5726","0.0004","7.5849","0.0002","16.0036","0.0004","90","","99.298","0.003","90","","1506.08","0.07","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H40 N2 O10 -","- C29 H40 N2 O10 -","- C58 H80 N4 O20 -","2","1","","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","","","","","10.1021/acscentsci.0c00024","","","1.54184","CuKα","","0.0651","0.0596","","","0.1511","0.1558","","","","","","1.064","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517443","16.1463","0.0003","7.8473","0.0001","30.1019","0.0005","90","","103.866","0.002","90","","3702.91","0.11","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H40 N2 O10 -","- C29 H40 N2 O10 -","- C116 H160 N8 O40 -","4","2","","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","","","","","10.1021/acscentsci.0c00024","","","1.54184","CuKα","","0.0383","0.0372","","","0.1054","0.1064","","","","","","1.056","","","","has coordinates,has disorder","301843","2025-08-21","01:59:37",""
"4517983","23","0.5","24.8","0.5","30.1","0.6","90","","90","","90","","17169","6","293","2","293","2","","","","","","","","4","C c m e","-C 2ac 2ac","64","","","","- Al6.38 Ca3 O33 Si9.62 -","- Al6.4 Ca3 O33 Si9.6 -","- Al102.4 Ca48 O528 Si153.6 -","16","1","","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","","","","","10.1021/acscentsci.9b01100","","","0.0335","electron","","0.4471","0.4423","","","0.7412","0.7424","","","","","","3.954","","","","has coordinates","255628","2020-10-21","18:00:00",""
"4517984","23","0.5","24.4","0.5","25.4","0.5","90","","90","","90","","14254","5","293","2","293","2","","","","","","","","4","C c m e","-C 2ac 2ac","64","","","","- Al6.38 Ca1.5 O32 Si9.62 -","- Al6.4 Ca1.5 O32 Si9.6 -","- Al102.4 Ca24 O512 Si153.6 -","16","1","","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","","","","","10.1021/acscentsci.9b01100","","","0.0335","electron","","0.4698","0.4637","","","0.7578","0.7651","","","","","","3.626","","","","has coordinates","255629","2020-10-21","18:00:00",""
"4517991","8.5597","0.0014","9.5439","0.0015","14.732","0.002","90","","105.399","0.016","90","","1160.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F N O -","- C14 H12 F N O -","- C56 H48 F4 N4 O4 -","4","1","","Su, Jianke; Ma, Xingxing; Ou, Zongliang; Song, Qiuling","Deconstructive Functionalizations of Unstrained Carbon–Nitrogen Cleavage Enabled by Difluorocarbene","ACS Central Science","2020","","","","","10.1021/acscentsci.0c00779","","x-ray","0.71073","MoKα","","0.0833","0.0499","","","0.1305","0.1509","","","","","","0.851","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517996","10.1184","0.0006","15.462","0.0008","21.5377","0.001","71.492","0.002","78.041","0.002","81.087","0.002","3111.5","0.3","173","","173","","","","","","","","","9","P -1","-P 1","2","","","","- C52 H99 B Fe Mo N11 O P Si3 -","- C52 H99 B Fe Mo N11 O P Si3 -","- C104 H198 B2 Fe2 Mo2 N22 O2 P2 Si6 -","2","1","","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","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1333","0.0749","","0.2009","0.1655","0.2009","","","","","","0.971","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4517997","19.4151","0.0009","12.4197","0.0005","12.5653","0.0005","90","","90","","90","","3029.9","0.2","173","","173","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H48 Mo N5 P Si4 -","- C18 H48 Mo N5 P Si4 -","- C72 H192 Mo4 N20 P4 Si16 -","4","1","","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","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.0349","0.0288","","0.0657","0.0626","0.0657","","","","","","0.9885","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4517998","25.3056","0.0015","19.7149","0.0015","13.1491","0.0008","90","","106.942","0.004","90","","6275.3","0.7","173","2","173.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C49 H72 Mo N5 P4 Rh Si3 -","- C49 H72 Mo N5 P4 Rh Si3 -","- C196 H288 Mo4 N20 P16 Rh4 Si12 -","4","0.5","","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","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.0974","0.0618","","","0.1594","0.1944","","","","","","1.09","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4517999","15.583","0.0006","15.7178","0.0007","20.182","0.0009","90.53","0.001","102.107","0.001","114.559","0.001","4370.1","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.94 H143.76 B Fe Mo N14 O0.56 P Si3 -","- C74.937 H143.748 B Fe Mo N14 O0.563 P Si3 -","- C149.874 H287.496 B2 Fe2 Mo2 N28 O1.126 P2 Si6 -","2","1","","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","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1089","0.0712","","","0.1811","0.2153","","","","","","1.072","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518000","15.5835","0.0006","15.7173","0.0007","20.184","0.0009","90.529","0.001","102.106","0.001","114.564","0.001","4370.4","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.94 H143.76 B Fe Mo N14 O0.56 P Si3 -","- C74.938 H143.752 B Fe Mo N14 O0.562 P Si3 -","- C149.876 H287.504 B2 Fe2 Mo2 N28 O1.124 P2 Si6 -","2","1","","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","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1095","0.0713","","","0.1808","0.216","","","","","","1.069","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518001","15.5829","0.0006","15.7156","0.0007","20.1841","0.0009","90.527","0.001","102.106","0.001","114.566","0.001","4369.7","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75 H144.01 B Fe Mo N14 O0.5 P Si3 -","- C75.002 H144.008 B Fe Mo N14 O0.498 P Si3 -","- C150.004 H288.016 B2 Fe2 Mo2 N28 O0.996 P2 Si6 -","2","1","","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","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.0979","0.0628","","","0.1754","0.199","","","","","","1.026","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518002","15.5851","0.0006","15.7181","0.0007","20.1884","0.0009","90.525","0.001","102.11","0.001","114.568","0.001","4371.8","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75 H144 B Fe Mo N14 O0.5 P Si3 -","- C75.001 H144.004 B Fe Mo N14 O0.499 P Si3 -","- C150.002 H288.008 B2 Fe2 Mo2 N28 O0.998 P2 Si6 -","2","1","","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","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1108","0.0707","","","0.1961","0.2312","","","","","","1.077","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518003","15.5853","0.0006","15.718","0.0007","20.1871","0.0009","90.525","0.001","102.105","0.001","114.569","0.001","4371.6","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.99 H143.98 B Fe Mo N14 O0.51 P Si3 -","- C74.994 H143.976 B Fe Mo N14 O0.506 P Si3 -","- C149.988 H287.952 B2 Fe2 Mo2 N28 O1.012 P2 Si6 -","2","1","","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","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1118","0.0712","","","0.1974","0.2322","","","","","","1.078","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518004","15.5855","0.0006","15.7156","0.0007","20.2048","0.0009","90.537","0.001","102.134","0.001","114.548","0.001","4374.9","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.96 H143.82 B Fe Mo N14 O0.54 P Si3 -","- C74.957 H143.828 B Fe Mo N14 O0.543 P Si3 -","- C149.914 H287.656 B2 Fe2 Mo2 N28 O1.086 P2 Si6 -","2","1","","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","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1115","0.073","","","0.1876","0.2238","","","","","","1.058","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518005","15.5883","0.0006","15.7107","0.0007","20.2311","0.0009","90.545","0.001","102.223","0.001","114.537","0.001","4378.5","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.03 H144.11 B Fe Mo N14 O0.47 P Si3 -","- C75.031 H144.124 B Fe Mo N14 O0.469 P Si3 -","- C150.062 H288.248 B2 Fe2 Mo2 N28 O0.938 P2 Si6 -","2","1","","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","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.115","0.0719","","","0.1964","0.2309","","","","","","1.066","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518006","15.5911","0.0006","15.7056","0.0007","20.2558","0.0009","90.557","0.001","102.29","0.001","114.548","0.001","4381.3","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.98 H143.92 B Fe Mo N14 O0.52 P Si3 -","- C74.981 H143.924 B Fe Mo N14 O0.519 P Si3 -","- C149.962 H287.848 B2 Fe2 Mo2 N28 O1.038 P2 Si6 -","2","1","","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","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1116","0.0721","","","0.186","0.2224","","","","","","1.058","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518007","15.5964","0.0007","15.705","0.0007","20.2728","0.001","90.555","0.001","102.339","0.001","114.568","0.001","4384.6","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.04 H144.17 B Fe Mo N14 O0.46 P Si3 -","- C75.045 H144.18 B Fe Mo N14 O0.455 P Si3 -","- C150.09 H288.36 B2 Fe2 Mo2 N28 O0.91 P2 Si6 -","2","1","","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","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1172","0.0733","","","0.1988","0.2361","","","","","","1.058","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518008","15.5984","0.0007","15.7039","0.0007","20.2878","0.001","90.557","0.001","102.371","0.001","114.583","0.001","4386.8","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.04 H144.15 B Fe Mo N14 O0.46 P Si3 -","- C75.037 H144.148 B Fe Mo N14 O0.463 P Si3 -","- C150.074 H288.296 B2 Fe2 Mo2 N28 O0.926 P2 Si6 -","2","1","","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","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1188","0.0739","","","0.1999","0.2369","","","","","","1.061","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518009","15.6007","0.0007","15.7039","0.0007","20.3019","0.001","90.554","0.001","102.407","0.001","114.596","0.001","4389.3","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.05 H144.18 B Fe Mo N14 O0.45 P Si3 -","- C75.044 H144.176 B Fe Mo N14 O0.456 P Si3 -","- C150.088 H288.352 B2 Fe2 Mo2 N28 O0.912 P2 Si6 -","2","1","","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","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1211","0.0744","","","0.1997","0.2388","","","","","","1.04","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518010","15.6017","0.0011","15.7015","0.0012","20.3141","0.0016","90.572","0.002","102.466","0.002","114.617","0.002","4389.3","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.05 H144.21 B Fe Mo N14 O0.45 P Si3 -","- C75.05 H144.2 B Fe Mo N14 O0.45 P Si3 -","- C150.1 H288.4 B2 Fe2 Mo2 N28 O0.9 P2 Si6 -","2","1","","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","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1278","0.0772","","","0.2077","0.2502","","","","","","1.023","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518055","10.2481","0.0005","10.8413","0.0005","29.7499","0.0014","90","","94.192","0.002","90","","3296.5","0.3","230","2","230","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cl2 F6 P2 Pt -","- C36 H24 Cl2 F6 P2 Pt -","- C144 H96 Cl8 F24 P8 Pt4 -","4","1","","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","","","","","10.1021/acscentsci.0c00676","","","1.54178","CuKα","","0.0333","0.0246","","","0.066","0.0731","","","","","","0.779","","","","has coordinates","256532","2020-10-21","18:00:00",""
"4518096","34.9242","0.0003","34.9242","0.0003","24.1417","0.0002","90","","90","","120","","25500.7","0.4","99.98","0.13","99.98","0.13","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C182 H240 Ag30 B80 N4 O4 P12 S24 -","- C182 H240 Ag30 B80 N4 O4 P12 S24 -","- C546 H720 Ag90 B240 N12 O12 P36 S72 -","3","0.5","","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","","","","","10.1021/acscentsci.0c01045","","x-ray","1.54184","CuKα","","0.0624","0.0481","","","0.1217","0.1288","","","","","","0.953","","","","has coordinates,has disorder","256866","2020-10-21","18:00:00",""
"4518097","34.8668","0.0013","34.8668","0.0013","24.0968","0.0006","90","","90","","120","","25369.6","1.5","100","0.1","100","0.1","","","","","","","","8","P 31 2 1","P 31 2""","152","","","","- C182 H240 Ag30 B80 N4 O4 P12 S24 -","- C182 H240 Ag30 B80 N4 O4 P12 S24 -","- C546 H720 Ag90 B240 N12 O12 P36 S72 -","3","0.5","","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","","","","","10.1021/acscentsci.0c01045","","x-ray","1.54184","CuKα","","0.1286","0.0793","","","0.192","0.2287","","","","","","0.929","","","","has coordinates","256867","2020-10-21","18:00:00",""
"4518148","8.9164","0.0003","49.9492","0.0016","25.1934","0.0009","90","","90","","90","","11220.3","0.7","220","0.1","220","0.1","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C42 H28 Br2 F12 N6 Os P2 -","- C42 H28 Br2 F12 N6 Os P2 -","- C336 H224 Br16 F96 N48 Os8 P16 -","8","0.25","","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","","","","","10.1021/acscentsci.0c00948","","x-ray","0.71073","MoKα","","0.0664","0.0552","","","0.1087","0.1119","","","","","","1.296","","","","has coordinates,has disorder","258495","2020-10-21","18:00:00",""
"4518637","10.3954","0.0001","15.042","0.0002","16.9395","0.0003","90","","90","","90","","2648.79","0.06","100","0.1","100","0.1","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C120 H160 O32 -","8","1","","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","","","","","10.1021/acscentsci.0c01624","","x-ray","1.54184","CuKα","","0.0313","0.0308","","","0.0784","0.079","","","","","","1.073","","","","has coordinates,has disorder","264699","2021-04-29","21:30:22",""
"4518712","6.5747","0.0003","28.3155","0.0016","32.6239","0.0017","90","","91.334","0.004","90","","6071.8","0.5","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C75 H68 -","- C65 H44 -","- C260 H176 -","4","1","","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","","","","","10.1021/acscentsci.1c00345","","","1.54178","CuKα","","0.0617","0.0507","","","0.1396","0.1461","","","","","","1.051","","","","has coordinates","265186","2021-05-13","21:37:01",""
"4518713","16.3451","0.0006","16.3451","0.0006","80.409","0.003","90","","90","","120","","18604.2","1.2","173","2","173","2","","","","","","","","2","R 3 c :H","R 3 -2""c","161","","","","- C53 H36 -","- C53 H36 -","- C954 H648 -","18","1","","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","","","","","10.1021/acscentsci.1c00345","","","1.54178","CuKα","","0.0631","0.0453","","","0.1071","0.1148","","","","","","0.93","","","","has coordinates,has disorder","301843","2025-08-21","01:59:41",""
"4518714","12.3702","0.0005","15.2429","0.0006","12.0344","0.0004","90","","112.703","0.001","90","","2093.36","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Br2 O2 -","- C25 H22 Br2 O2 -","- C100 H88 Br8 O8 -","4","1","","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","","","","","10.1021/acscentsci.1c00345","","","1.54178","CuKα","","0.0344","0.0313","","","0.0848","0.087","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:59:41",""
"4518715","9.9507","0.0004","17.1984","0.0007","32.214","0.0012","82.982","0.002","85.75","0.002","89.947","0.002","5456.4","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C71 H64 O3 -","- C71 H64 O3 -","- C284 H256 O12 -","4","2","","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","","","","","10.1021/acscentsci.1c00345","","","1.54178","CuKα","","0.1454","0.0978","","","0.2717","0.3101","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:59:41",""
"4518917","8.02112","0.00011","11.95004","0.00014","24.8127","0.0004","90","","94.4773","0.0013","90","","2371.11","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","4-nitrobenzyl ((2S,3S,4S,6R)-6-((tert-butyldimethylsilyl)oxy)-3-(((2S,4S,5R,6S)-4-((tert-butyldimethylsilyl)oxy)-4,6-dimethyl-5-((((4-nitrobenzyl)oxy)carbonyl)amino)tetrahydro-2H-pyran-2-yl)oxy)-2,4-dimethyltetrahydro-2H-pyran-4-yl)carbamate","","- C42 H66 N4 O13 Si2 -","- C42 H66 N4 O13 Si2 -","- C84 H132 N8 O26 Si4 -","2","1","","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","","","","","10.1021/acscentsci.1c00040","","x-ray","1.54184","CuKα","","0.0338","0.0321","","","0.0812","0.0822","","","","","","1.026","","","","has coordinates","267721","2021-07-23","21:33:46",""