# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-12T15:38:34+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 'Journal of the American Chemical Society') AND volume = 142 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
"4133910","11.5979","0.0004","12.4869","0.0003","13.0234","0.0005","111.577","0.003","107.814","0.003","103.415","0.003","1538.21","0.12","213","","213","","","","","","","","","4","P -1","-P 1","2","","2,4,6,8-tetraphenyl-2,4,6,8-tetraaza-1,5(3,11)-didibenzo[a,j]phenazina-3,7(1,4)-dibenzenacyclooctaphane","","- C78 H50 Cl6 N8 -","- C78 H50 Cl6 N8 -","- C78 H50 Cl6 N8 -","1","0.5","","Izumi, Saika; Higginbotham, Heather F.; Nyga, Aleksandra; Stachelek, Patrycja; Tohnai, Norimitsu; Silva, Piotr de; Data, Przemyslaw; Takeda, Youhei; Minakata, Satoshi","Thermally Activated Delayed Fluorescent Donor-Acceptor-Donor-Acceptor π-Conjugated Macrocycle for Organic Light-Emitting Diodes.","Journal of the American Chemical Society","2020","142","3","1482","1491","10.1021/jacs.9b11578","","","1.54187","CuKα","","0.0729","0.0661","","","0.1885","0.1954","","","","","","1.077","","","","has coordinates","247533","2020-10-21","18:00:00",""
"4133911","8.76533","0.0001","40.6863","0.0004","21.4744","0.0002","90","","98.1999","0.001","90","","7580.09","0.14","93","","93","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2,4,6,8-tetraphenyl-2,4,6,8-tetraaza-1,5(3,11)-didibenzo[a,j]phenazina-3,7(1,4)-dibenzenacyclooctaphane","","- C81 H53 Cl15 N8 -","- C81 H52 Cl15 N8 -","- C324 H208 Cl60 N32 -","4","1","","Izumi, Saika; Higginbotham, Heather F.; Nyga, Aleksandra; Stachelek, Patrycja; Tohnai, Norimitsu; Silva, Piotr de; Data, Przemyslaw; Takeda, Youhei; Minakata, Satoshi","Thermally Activated Delayed Fluorescent Donor-Acceptor-Donor-Acceptor π-Conjugated Macrocycle for Organic Light-Emitting Diodes.","Journal of the American Chemical Society","2020","142","3","1482","1491","10.1021/jacs.9b11578","","","1.54187","CuKα","","0.1275","0.1104","","","0.3106","0.3274","","","","","","1.043","","","","has coordinates","247533","2020-10-21","18:00:00",""
"4133912","10.2772","0.0004","6.1873","0.0002","11.9566","0.0005","90","","113.206","0.004","90","","698.79","0.05","98","2","98","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 B O4 -","- C14 H19 B O4 -","- C28 H38 B2 O8 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0289","0.0286","","","0.0663","0.0664","","","","","","1.006","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133913","25.9588","0.0008","6.6139","0.0002","11.2968","0.0003","90","","92.514","0.002","90","","1937.67","0.1","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 B O3 -","- C22 H29 B O3 -","- C88 H116 B4 O12 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0642","0.0624","","","0.1233","0.1244","","","","","","1.064","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133914","7.9153","0.0002","9.4724","0.0002","12.8773","0.0002","100.926","0.002","101.026","0.002","94.341","0.002","924.2","0.04","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 B N O3 -","- C21 H24 B N O3 -","- C42 H48 B2 N2 O6 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0464","0.0458","","","0.1051","0.1055","","","","","","1.055","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133915","25.3806","0.0006","6.6166","0.0001","31.099","0.0008","90","","112.921","0.003","90","","4810.2","0.2","98","2","98","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C25 H34 B2 O4 -","- C25 H34 B2 O4 -","- C200 H272 B16 O32 -","8","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0561","0.0547","","","0.1191","0.12","","","","","","1.072","","","","has coordinates,has disorder","247535","2020-10-21","18:00:00",""
"4133916","7.5748","0.0002","7.5235","0.0002","13.5891","0.0004","90","","91.676","0.003","90","","774.1","0.04","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 B F3 N O -","- C6 H9 B F3 N O -","- C24 H36 B4 F12 N4 O4 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0347","0.0343","","","0.0863","0.0866","","","","","","1.05","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133917","10.5926","0.0002","21.6904","0.0003","14.3419","0.0002","90","","107.969","0.002","90","","3134.44","0.09","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 B O3 -","- C17 H21 B O3 -","- C136 H168 B8 O24 -","8","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0615","0.0588","","","0.1225","0.1243","","","","","","1.069","","","","has coordinates,has disorder","247535","2020-10-21","18:00:00",""
"4133918","8.4082","0.0005","8.7515","0.0005","10.3759","0.0003","107.497","0.004","105.684","0.004","97.298","0.005","682.79","0.07","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 B F3 O2 -","- C13 H16 B F3 O2 -","- C26 H32 B2 F6 O4 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0867","0.0758","","","0.1456","0.1491","","","","","","1.091","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133919","8.0689","0.0002","19.1049","0.0005","8.649","0.0002","90","","90","","90","","1333.29","0.06","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H11 B F3 K O5 -","- C10 H11 B F3 K O5 -","- C40 H44 B4 F12 K4 O20 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0222","0.0221","","","0.0593","0.0593","","","","","","1.089","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133920","14.7645","0.0004","7.7901","0.0002","16.2371","0.0004","90","","107.458","0.002","90","","1781.52","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 I N O4 -","- C18 H22 I N O4 -","- C72 H88 I4 N4 O16 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0338","0.0336","","","0.0918","0.092","","","","","","1.1","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133921","20.3444","0.0005","9.5619","0.0002","13.8608","0.0003","90","","103.721","0.002","90","","2619.41","0.1","98","3","98","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 B N O2 -","- C14 H18 B N O2 -","- C112 H144 B8 N8 O16 -","8","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0498","0.0488","","","0.1042","0.1049","","","","","","1.069","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133922","9.1074","0.0006","10.4748","0.0006","11.1129","0.0007","90.07","0.005","103.031","0.005","112.623","0.006","948.81","0.11","97","2","97","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 B N O3 -","- C22 H26 B N O3 -","- C44 H52 B2 N2 O6 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0485","0.0474","","","0.099","0.0998","","","","","","1.006","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133923","5.8375","0.0002","17.0381","0.0004","13.9958","0.0004","90","","94.048","0.002","90","","1388.55","0.07","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 B O4 -","- C14 H19 B O4 -","- C56 H76 B4 O16 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0433","0.0427","","","0.105","0.1055","","","","","","1.019","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133924","9.4219","0.0003","11.3625","0.0003","16.4678","0.0004","104.315","0.002","92.465","0.002","114.483","0.003","1533.34","0.09","98","2","98","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H38 B Cl3 O5 -","- C32 H38 B Cl3 O5 -","- C64 H76 B2 Cl6 O10 -","2","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.035","0.0342","","","0.0854","0.0861","","","","","","1.023","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133925","17.8482","0.0004","7.0235","0.0002","22.7583","0.0006","90","","90","","90","","2852.91","0.13","98","2","98","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H21 B O4 -","- C14 H21 B O4 -","- C112 H168 B8 O32 -","8","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0485","0.0476","","","0.1066","0.1072","","","","","","1.07","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133926","10.1479","0.0002","10.5387","0.0003","31.4024","0.0007","90","","90","","90","","3358.35","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 B O2 -","- C20 H21 B O2 -","- C160 H168 B8 O16 -","8","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0667","0.0644","","","0.1352","0.1366","","","","","","1.086","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133927","13.7679","0.0004","7.5766","0.0002","12.4291","0.0003","90","","92.295","0.002","90","","1295.49","0.06","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 B F O2 -","- C13 H18 B F O2 -","- C52 H72 B4 F4 O8 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.05","0.0493","","","0.1174","0.1179","","","","","","1.071","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133928","6.7381","0.0002","12.3279","0.0004","15.8619","0.0005","90","","96.91","0.003","90","","1308.02","0.07","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 B F O3 -","- C13 H18 B F O3 -","- C52 H72 B4 F4 O12 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0409","0.0407","","","0.0951","0.0953","","","","","","1.072","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133929","9.4792","0.0002","11.0501","0.0002","13.2369","0.0003","90","","90","","90","","1386.51","0.05","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 B O2 S -","- C13 H19 B O2 S -","- C52 H76 B4 O8 S4 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0254","0.0252","","","0.0665","0.0667","","","","","","1.015","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133930","17.2944","0.0014","6.5162","0.0004","11.397","0.0008","90","","106.818","0.008","90","","1229.44","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 B2 O4 -","- C26 H36 B2 O4 -","- C52 H72 B4 O8 -","2","0.5","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.071","0.0411","","","0.0715","0.0757","","","","","","1.038","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133931","27.1253","0.0012","6.6649","0.0002","12.131","0.0006","90","","119.012","0.006","90","","1917.93","0.18","98","2","98","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H26 B N O4 -","- C19 H26 B N O4 -","- C76 H104 B4 N4 O16 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0463","0.046","","","0.1273","0.1275","","","","","","1.076","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133932","10.008","0.0003","19.8705","0.0008","9.1491","0.0002","90","","90","","90","","1819.43","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H26 B N O4 -","- C17 H26 B N O4 -","- C68 H104 B4 N4 O16 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0361","0.0347","","","0.0785","0.0792","","","","","","1.09","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133933","8.5562","0.0003","13.8694","0.0006","6.9835","0.0003","90","","90","","90","","828.73","0.06","98","2","98","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C5 H5 B F4 K N O -","- C5 H5 B F4 K N O -","- C20 H20 B4 F16 K4 N4 O4 -","4","0.5","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0229","0.0229","","","0.0634","0.0634","","","","","","1.031","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133937","11.9458","0.0005","15.1939","0.0005","16.5538","0.0006","76.623","0.002","88.347","0.002","73.614","0.002","2802.19","0.18","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 N6 O8 S -","- C46 H60 N6 O8 S -","- C92 H120 N12 O16 S2 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.34139","GaKα","","0.1579","0.1139","","","0.2252","0.2461","","","","","","1.067","","","","has coordinates,has disorder","247524","2020-10-21","18:00:00",""
"4133938","11.7856","0.0002","15.0499","0.0004","17.5779","0.0004","68.685","0.002","71.465","0.002","71.534","0.002","2681.5","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H77 N6 O9 -","- C56 H77 N6 O9 -","- C112 H154 N12 O18 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.54184","CuKα","","0.0844","0.0725","","","0.1925","0.2013","","","","","","1.037","","","","has coordinates","247524","2020-10-21","18:00:00",""
"4133939","12.8492","0.0011","14.4967","0.0012","16.6539","0.0014","102.285","0.004","91.716","0.004","112.279","0.004","2783.8","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H62 N6 O8 -","- C50 H62 N6 O8 -","- C100 H124 N12 O16 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.54178","CuKα","","0.1597","0.0963","","","0.2107","0.2422","","","","","","1.078","","","","has coordinates","247524","2020-10-21","18:00:00",""
"4133940","12.0076","0.0006","14.8684","0.0007","17.0843","0.0008","73.739","0.002","86.373","0.003","68.275","0.002","2717.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H68 N6 O9 -","- C52 H68 N6 O9 -","- C104 H136 N12 O18 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.54178","CuKα","","0.2511","0.125","","","0.2221","0.2804","","","","","","1.003","","","","has coordinates","247524","2020-10-21","18:00:00",""
"4133941","12.13","0.002","14.831","0.003","16.344","0.003","78.46","0.03","88.91","0.03","69.37","0.03","2691.9","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H57 Cl6 N6 O4 -","- C48 H57 Cl6 N6 O4 -","- C96 H114 Cl12 N12 O8 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","0.68875","synchrotron","","0.2016","0.1903","","","0.3995","0.4041","","","","","","1.016","","","","has coordinates","247524","2020-10-21","18:00:00",""
"4133942","11.0628","0.0002","26.8155","0.0004","9.3804","0.0001","90","","98.755","0.001","90","","2750.31","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N4 O4 -","- C30 H36 N4 O4 -","- C120 H144 N16 O16 -","4","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.54178","CuKα","","0.065","0.0619","","","0.1635","0.1664","","","","","","1.028","","","","has coordinates","247524","2020-10-21","18:00:00",""
"4133943","11.7742","0.0005","17.2343","0.0008","13.6399","0.0006","90","","95.461","0.002","90","","2755.2","0.2","230","2","230.19","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.0849","0.0474","","","0.1035","0.1285","","","","","","1.025","","","","has coordinates","247534","2020-10-21","18:00:00",""
"4133944","11.6624","0.0004","17.1444","0.0005","13.6082","0.0004","90","","95.398","0.001","90","","2708.82","0.15","110","2","110.26","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.062","0.0424","","","0.0958","0.1104","","","","","","1.037","","","","has coordinates","247534","2020-10-21","18:00:00",""
"4133945","11.7141","0.0003","17.1834","0.0005","13.6219","0.0003","90","","95.444","0.001","90","","2729.56","0.12","170","2","170.2","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.0682","0.0434","","","0.0968","0.1161","","","","","","1.045","","","","has coordinates","247534","2020-10-21","18:00:00",""
"4133946","9.5948","0.0006","9.7067","0.0006","15.6253","0.0011","79.68","0.003","84.432","0.003","84.978","0.003","1421.28","0.16","297","2","296.79","","","","","","","","","2","P -1","-P 1","2","","","","- C40 H28 -","- C40 H28 -","- C80 H56 -","2","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.1615","0.0652","","","0.1163","0.1525","","","","","","1.004","","","","has coordinates","247534","2020-10-21","18:00:00",""
"4133947","11.8538","0.0005","17.2687","0.0007","13.6467","0.0006","90","","95.481","0.002","90","","2780.7","0.2","293","","296.79","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.114","0.0508","","","0.1131","0.1506","","","","","","1.002","","","","has coordinates","247534","2020-10-21","18:00:00",""
"4133954","43.512","0.006","43.512","0.006","27.788","0.005","90","","90","","120","","45562","12","100","2","100.15","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C48 H80 K2 O40 -","- C48 H80 K2 O40 -","- C864 H1440 K36 O720 -","18","1","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","1.54178","CuKα","","0.0779","0.0665","","","0.1939","0.2115","","","","","","1.044","","","","has coordinates,has disorder","247525","2020-10-21","18:00:00",""
"4133955","31.089","0.002","31.089","0.002","61.485","0.006","90","","90","","90","","59427","8","100","2","100.1","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C186 H283 K6 O142 -","- C186 H283 K6 O142 -","- C1488 H2264 K48 O1136 -","8","1","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","1.54178","CuKα","","0.0936","0.0732","","","0.1932","0.2073","","","","","","1.004","","","","has coordinates,has disorder","247525","2020-10-21","18:00:00",""
"4133956","31.212","0.0012","31.212","0.0012","61.302","0.003","90","","90","","90","","59720","4","100","2","100.01","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C193 H311 K6 O154 -","- C193 H311 K6 O154 -","- C1544 H2488 K48 O1232 -","8","1","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","0.71073","MoKα","","0.1452","0.0736","","","0.1782","0.2147","","","","","","0.974","","","","has coordinates,has disorder","247525","2020-10-21","18:00:00",""
"4133957","31.0134","0.0014","31.0134","0.0014","31.0134","0.0014","90","","90","","90","","29830","2","100","2","100.07","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C48 H80 K2 O40 -","- C48 H80 K2 O40 -","- C576 H960 K24 O480 -","12","0.25","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","0.71073","MoKα","","0.1369","0.1085","","","0.3079","0.341","","","","","","1.347","","","","has coordinates","247525","2020-10-21","18:00:00",""
"4133958","26.397","0.002","12.179","0.0011","16.274","0.0018","90","","96.21","0.003","90","","5201.2","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H62 Cl2 O10 -","- C66 H62 Cl2 O10 -","- C264 H248 Cl8 O40 -","4","0.5","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.0729","0.0528","","","0.1324","0.1477","","","","","","1.026","","","","has coordinates","247528","2020-10-21","18:00:00",""
"4133959","8.593","0.003","18.778","0.006","19.167","0.005","62.663","0.01","84.421","0.011","85.31","0.03","2732","1.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C65 H60 O10 -","- C65 H60 O10 -","- C130 H120 O20 -","2","1","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.1935","0.1213","","","0.3163","0.3725","","","","","","1.021","","","","has coordinates,has disorder","247528","2020-10-21","18:00:00",""
"4133960","16.777","0.008","32.962","0.013","19.166","0.007","90","","91.3","0.2","90","","10596","8","373","2","373","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C65 H60 O10 -","- C65 H60 O10 -","- C520 H480 O80 -","8","2","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.1535","0.089","","","0.2247","0.2667","","","","","","1.02","","","","has coordinates,has disorder","247528","2020-10-21","18:00:00",""
"4133961","13.171","0.003","13.404","0.0013","17.673","0.0011","76.093","0.007","80.772","0.006","88.492","0.004","2989.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H66 Cl6 O10 -","- C68 H66 Cl6 O10 -","- C136 H132 Cl12 O20 -","2","1","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.0468","0.0436","","","0.1143","0.1169","","","","","","1.052","","","","has coordinates","247528","2020-10-21","18:00:00",""
"4133962","10.323","0.0015","13.772","0.0008","21.117","0.0006","107.381","0.003","86.9","0.01","99.769","0.01","2823.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C66.9 H63.8 Cl3.8 O10 -","- C66.9 H63.8 Cl3.8 O10 -","- C133.8 H127.6 Cl7.6 O20 -","2","1","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.0492","0.044","","","0.1164","0.1209","","","","","","1.023","","","","has coordinates,has disorder","247528","2020-10-21","18:00:00",""
"4133963","16.0633","0.0014","13.4867","0.0011","18.5991","0.0014","90","","90","","90","","4029.3","0.6","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","[mCH]Cu(O2N)(ClO4)2","","","- C35 H49 Cl2 Cu N7 O13 -","- C35 H49 Cl2 Cu N7 O13 -","- C140 H196 Cl8 Cu4 N28 O52 -","4","1","","Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata","Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.","Journal of the American Chemical Society","2020","142","4","1726","1730","10.1021/jacs.9b11597","","","0.71073","MoKα","","0.0734","0.0441","","","0.0785","0.0884","","","","","","1.018","","","","has coordinates","247532","2020-10-21","18:00:00",""
"4133964","13.007","0.004","16.788","0.005","18.574","0.006","90","","103.666","0.009","90","","3941","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[mCH]CuCl(ClO4)2","","","- C35 H49 Cl3 Cu N6 O11 -","- C35 H49 Cl3 Cu N6 O11 -","- C140 H196 Cl12 Cu4 N24 O44 -","4","1","","Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata","Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.","Journal of the American Chemical Society","2020","142","4","1726","1730","10.1021/jacs.9b11597","","","0.71073","MoKα","","0.0746","0.0447","","","0.1067","0.1219","","","","","","1.019","","","","has coordinates,has disorder","247532","2020-10-21","18:00:00",""
"4133965","12.2345","0.0019","12.3329","0.0018","13.275","0.002","112.421","0.004","110.003","0.005","96.959","0.005","1665.3","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[mC]Cu(O2N)(ClO4)","","","- C33 H45.35 Cl Cu N6 O9.17 -","- C33 H45.348 Cl Cu N6 O9.174 -","- C66 H90.696 Cl2 Cu2 N12 O18.348 -","2","1","","Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata","Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.","Journal of the American Chemical Society","2020","142","4","1726","1730","10.1021/jacs.9b11597","","","0.71073","MoKα","","0.0371","0.0305","","","0.0731","0.0765","","","","","","1.056","","","","has coordinates,has disorder","247532","2020-10-21","18:00:00",""
"4133966","21.826","0.002","14.923","0.0015","21.694","0.002","90","","104.035","0.003","90","","6855","1.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[mC]Zn(O2N)(ClO4)","","","- C33 H45 Cl N6 O9 Zn -","- C33 H45 Cl N6 O9 Zn -","- C264 H360 Cl8 N48 O72 Zn8 -","8","1","","Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata","Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.","Journal of the American Chemical Society","2020","142","4","1726","1730","10.1021/jacs.9b11597","","","0.71073","MoKα","","0.1747","0.0665","","","0.1144","0.134","","","","","","0.935","","","","has coordinates,has disorder","247532","2020-10-21","18:00:00",""
"4133967","7.1737","0.0004","9.0077","0.0005","11.2753","0.0006","78.169","0.004","76.779","0.005","84.426","0.004","693.25","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0335","0.029","","","0.0684","0.0718","","","","","","1.097","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133968","7.1724","0.0005","9.0455","0.0005","11.3389","0.0007","78.035","0.005","76.862","0.006","84.337","0.005","699.8","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0483","0.0381","","","0.0875","0.0962","","","","","","1.084","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133969","7.1985","0.0006","9.0868","0.0006","11.4367","0.0008","77.856","0.006","76.835","0.006","84.259","0.006","711.06","0.09","200","","200","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0457","0.0329","","","0.0737","0.0812","","","","","","1.057","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133970","7.1977","0.0005","9.1039","0.0005","11.47","0.0007","77.76","0.005","76.956","0.005","84.228","0.005","714.46","0.08","225","","225","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0404","0.0322","","","0.0736","0.0786","","","","","","1.052","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133971","7.2034","0.0005","9.1326","0.0005","11.5371","0.0007","77.61","0.005","76.995","0.005","84.19","0.005","721.17","0.08","250","","250","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0464","0.0329","","","0.0746","0.083","","","","","","1.03","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133972","7.2072","0.0005","9.1517","0.0005","11.5869","0.0006","77.501","0.005","77.039","0.005","84.118","0.005","725.96","0.08","265","","265","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0437","0.0357","","","0.09","0.0973","","","","","","1.042","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133973","7.2024","0.0004","9.176","0.0005","11.6626","0.0007","77.256","0.005","77.158","0.005","84.012","0.004","731.74","0.07","285","","285","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0448","0.0345","","","0.0849","0.0928","","","","","","1.047","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133974","7.2034","0.0004","9.1958","0.0006","11.7123","0.0008","77.17","0.006","77.261","0.005","83.959","0.005","736.55","0.08","290","","290","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0457","0.0357","","","0.0969","0.1065","","","","","","1.037","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133975","7.199","0.0004","9.2156","0.0005","11.7675","0.0008","76.977","0.005","77.346","0.006","83.954","0.005","740.85","0.08","295","","295","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0557","0.0404","","","0.0963","0.1095","","","","","","1.046","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133976","7.1877","0.0005","9.2267","0.0006","11.815","0.0008","76.824","0.006","77.466","0.006","83.877","0.005","743.4","0.09","297.5","0.1","297.5","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0651","0.0462","","","0.1276","0.1465","","","","","","1.044","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133977","7.167","0.0004","9.2494","0.0006","11.888","0.001","76.621","0.006","77.687","0.006","83.786","0.005","747.6","0.09","300","","300","","","","","","","","","4","B -1","-B 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0377","0.0368","","","0.0994","0.1004","","","","","","1.044","","","","has coordinates,has disorder","247531","2020-10-21","18:00:00",""
"4133978","7.1618","0.0005","9.2536","0.0006","11.8972","0.0009","76.583","0.006","77.727","0.006","83.757","0.005","747.94","0.09","302.5","","302.5","","","","","","","","","4","B -1","-B 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0389","0.0381","","","0.0989","0.0996","","","","","","1.079","","","","has coordinates,has disorder","247531","2020-10-21","18:00:00",""
"4133979","7.1683","0.0005","9.2643","0.0006","11.916","0.0008","76.588","0.006","77.763","0.006","83.749","0.006","750.78","0.09","304","","304","","","","","","","","","4","B -1","-B 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0415","0.0407","","","0.1135","0.1146","","","","","","1.07","","","","has coordinates,has disorder","247531","2020-10-21","18:00:00",""
"4133980","7.0229","0.0001","8.8503","0.0002","12.7614","0.0002","90","","90","","90","","793.18","0.02","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Bis(cyclopentadienyl)ruthenium(II)","","- C10 H10 Ru -","- C10 H10 Ru -","- C40 H40 Ru4 -","4","0.5","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","1.54184","CuKα","","0.019","0.0189","","","0.0531","0.0533","","","","","","1.102","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133981","11.9001","0.0003","15.8666","0.0004","22.7472","0.0005","90","","102.9","0.007","90","","4186.6","0.2","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","spiroCC","","","- C57 H40 Cl4 -","- C57 H40 Cl4 -","- C228 H160 Cl16 -","4","0.5","","Hamada, Hiroyoshi; Itabashi, Yuki; Shang, Rui; Nakamura, Eiichi","Axially Chiral Spiro-Conjugated Carbon-Bridged <i>p</i>-Phenylenevinylene Congeners: Synthetic Design and Materials Properties.","Journal of the American Chemical Society","2020","142","4","2059","2067","10.1021/jacs.9b13019","","","1.54187","CuKα","","0.0457","0.036","","","0.0867","0.0907","","","","","","1.04","","","","has coordinates","247529","2020-10-21","18:00:00",""
"4133982","22.8962","0.00004","22.8962","0.00004","22.8962","0.00004","90","","90","","90","","12003","0.04","293","","293","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Ga27 Rb8 Sb19 -","- Ga27 Rb8 Sb19 -","- Ga216 Rb64 Sb152 -","8","0.166667","","Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill","III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs<sub>8</sub>In<sub>27</sub>Sb<sub>19</sub> and <i>A</i><sub>8</sub>Ga<sub>27</sub>Sb<sub>19</sub> (<i>A</i> = Cs, Rb).","Journal of the American Chemical Society","2020","142","4","2031","2041","10.1021/jacs.9b12351","powder diffraction","x-ray","0.41275","synchrotron","","0.0514","0.0426","","0.0508","0.0499","","","","1.32","","","","","","","has coordinates","247530","2020-10-21","18:00:00",""
"4133983","22.9497","0.0008","22.9497","0.0008","22.9497","0.0008","90","","90","","90","","12087.3","0.7","100","2","100","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Cs8 Ga27 Sb19 -","- Cs8 Ga27 Sb19 -","- Cs64 Ga216 Sb152 -","8","0.166667","","Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill","III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs<sub>8</sub>In<sub>27</sub>Sb<sub>19</sub> and <i>A</i><sub>8</sub>Ga<sub>27</sub>Sb<sub>19</sub> (<i>A</i> = Cs, Rb).","Journal of the American Chemical Society","2020","142","4","2031","2041","10.1021/jacs.9b12351","","","0.71073","MoKα","","0.1654","0.0715","","","0.1194","0.149","","","","","","1.031","","","","has coordinates","247530","2020-10-21","18:00:00",""
"4133984","24.462","0.0008","24.462","0.0008","24.462","0.0008","90","","90","","90","","14637.8","0.8","100","2","100","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Cs8 In27 Sb19 -","- Cs8 In27 Sb19 -","- Cs64 In216 Sb152 -","8","0.166667","","Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill","III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs<sub>8</sub>In<sub>27</sub>Sb<sub>19</sub> and <i>A</i><sub>8</sub>Ga<sub>27</sub>Sb<sub>19</sub> (<i>A</i> = Cs, Rb).","Journal of the American Chemical Society","2020","142","4","2031","2041","10.1021/jacs.9b12351","","","0.71073","MoKα","","0.0334","0.0241","","","0.0533","0.0588","","","","","","1.219","","","","has coordinates","247530","2020-10-21","18:00:00",""
"4133985","24.4593","0.0007","24.4593","0.0007","24.4593","0.0007","90","","90","","90","","14633","0.7","10","2","10","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Cs8 In27 Sb19 -","- Cs8 In27 Sb19 -","- Cs64 In216 Sb152 -","8","0.166667","","Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill","III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs<sub>8</sub>In<sub>27</sub>Sb<sub>19</sub> and <i>A</i><sub>8</sub>Ga<sub>27</sub>Sb<sub>19</sub> (<i>A</i> = Cs, Rb).","Journal of the American Chemical Society","2020","142","4","2031","2041","10.1021/jacs.9b12351","","","0.24797","synchrotron","","0.0134","0.0112","","","0.0331","0.0384","","","","","","1.193","","","","has coordinates","247530","2020-10-21","18:00:00",""
"4134002","5.8422","0.0001","9.8585","0.0002","31.3192","0.0006","90","","90","","90","","1803.84","0.06","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Br N O -","- C20 H24 Br N O -","- C80 H96 Br4 N4 O4 -","4","1","","Green, Jacob C.; Zanghi, Joseph M.; Meek, Simon J.","Diastereo- and Enantioselective Synthesis of Homoallylic Amines Bearing Quaternary Carbon Centers.","Journal of the American Chemical Society","2020","142","4","1704","1709","10.1021/jacs.9b11529","","","1.54178","CuKα","","0.0209","0.0201","","0.047","0.0467","0.047","","","","","","1.0015","","","","has coordinates","247526","2020-10-21","18:00:00",""
"4134008","11.7287","0.0006","11.3446","0.0006","12.7178","0.0007","90","","97.519","0.003","90","","1677.65","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0738","0.0454","","","0.0973","0.109","","","","","","1.015","","","","has coordinates","247527","2020-10-21","18:00:00",""
"4134009","12.5418","0.0007","14.2968","0.0008","10.9243","0.0006","90","","98.314","0.004","90","","1938.22","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 F3 N2 O2 -","- C24 H19 F3 N2 O2 -","- C96 H76 F12 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0694","0.0427","","","0.0926","0.1041","","","","","","1.024","","","","has coordinates","247527","2020-10-21","18:00:00",""
"4134010","10.1059","0.0002","14.1498","0.0003","14.8124","0.0003","64.5952","0.0011","86.5106","0.0011","71.9003","0.0012","1812.14","0.07","200","2","200.01","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","2","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0655","0.0414","","","0.101","0.1132","","","","","","1.018","","","","has coordinates","247527","2020-10-21","18:00:00",""
"4134011","6.2016","0.0003","22.6245","0.0017","13.4647","0.0007","90","","98.531","0.003","90","","1868.3","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.104","0.0625","","","0.1475","0.1665","","","","","","1.053","","","","has coordinates","247527","2020-10-21","18:00:00",""
"4134012","7.422","0.0003","27.9118","0.0009","10.1865","0.0003","90","","110.241","0.002","90","","1979.93","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Cl3 N2 O2 -","- C20 H19 Cl3 N2 O2 -","- C80 H76 Cl12 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0563","0.0397","","","0.0856","0.0929","","","","","","1.033","","","","has coordinates,has disorder","247527","2020-10-21","18:00:00",""
"4134013","5.9996","0.0001","11.7006","0.0002","25.9222","0.0005","90","","95.015","0.002","90","","1812.74","0.06","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C92 H88 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0731","0.0465","","","0.1036","0.1172","","","","","","1.01","","","","has coordinates,has disorder","247527","2020-10-21","18:00:00",""
"4134014","10.2646","0.0004","10.6815","0.0004","18.9544","0.0006","90","","101.145","0.002","90","","2038.99","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0665","0.0466","","","0.0998","0.1104","","","","","","1.014","","","","has coordinates","247527","2020-10-21","18:00:00",""
"4134097","10.024","0.0004","11.6749","0.0004","11.9422","0.0004","88.059","0.001","78.739","0.001","76.405","0.001","1332.17","0.08","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C46 H74 B2 Li2 N2 O14 S2 -","- C46 H74 B2 Li2 N2 O14 S2 -","- C46 H74 B2 Li2 N2 O14 S2 -","1","1","","Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin","CO<sub>2</sub> Activation by Lewis Pairs Generated Under Copper Catalysis Enables Difunctionalization of Imines.","Journal of the American Chemical Society","2020","142","4","1966","1974","10.1021/jacs.9b11423","","","0.71073","MoKα","","0.0399","0.0346","","","0.0874","0.0907","","","","","","1.029","","","","has coordinates","247474","2020-10-21","18:00:00",""
"4134098","11.3506","0.0008","21.435","0.0015","11.6494","0.0007","90","","118.503","0.003","90","","2490.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 B Li N O6 -","- C24 H33 B Li N O6 -","- C96 H132 B4 Li4 N4 O24 -","4","1","","Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin","CO<sub>2</sub> Activation by Lewis Pairs Generated Under Copper Catalysis Enables Difunctionalization of Imines.","Journal of the American Chemical Society","2020","142","4","1966","1974","10.1021/jacs.9b11423","","","0.71073","MoKα","","0.0656","0.0394","","","0.0852","0.0947","","","","","","1.052","","","","has coordinates","247475","2020-10-21","18:00:00",""
"4134099","10.566","0.0008","17.8925","0.0015","25.953","0.002","90","","101.234","0.003","90","","4812.5","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H67 B Cu N3 O5 -","- C51 H67 B Cu N3 O5 -","- C204 H268 B4 Cu4 N12 O20 -","4","1","","Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin","CO<sub>2</sub> Activation by Lewis Pairs Generated Under Copper Catalysis Enables Difunctionalization of Imines.","Journal of the American Chemical Society","2020","142","4","1966","1974","10.1021/jacs.9b11423","","","0.71073","MoKα","","0.087","0.053","","","0.1184","0.1331","","","","","","1.035","","","","has coordinates,has disorder","247476","2020-10-21","18:00:00",""
"4134100","13.1375","0.0009","7.6331","0.0005","17.7668","0.0011","90","","90","","90","","1781.7","0.2","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H13 B F4 N2 -","- C6 H13 B F4 N2 -","- C48 H104 B8 F32 N16 -","8","2","","Wei, Zhen-Hong; Jiang, Zhen-Tao; Zhang, Xiu-Xiu; Li, Ming-Li; Tang, Yuan-Yuan; Chen, Xiao-Gang; Cai, Hu; Xiong, Ren-Gen","Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory.","Journal of the American Chemical Society","2020","142","4","1995","2000","10.1021/jacs.9b11665","","","0.71073","MoKα","","0.1151","0.0985","","","0.2697","0.2873","","","","","","1.002","","","","has coordinates","247478","2020-10-21","18:00:00",""
"4134101","13.1772","0.0009","7.6745","0.0005","17.759","0.002","90","","90","","90","","1795.9","0.3","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H13 B F4 N2 -","- C6 H13 B F4 N2 -","- C48 H104 B8 F32 N16 -","8","2","","Wei, Zhen-Hong; Jiang, Zhen-Tao; Zhang, Xiu-Xiu; Li, Ming-Li; Tang, Yuan-Yuan; Chen, Xiao-Gang; Cai, Hu; Xiong, Ren-Gen","Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory.","Journal of the American Chemical Society","2020","142","4","1995","2000","10.1021/jacs.9b11665","","","0.71073","MoKα","","0.1267","0.1068","","","0.286","0.309","","","","","","1.002","","","","has coordinates","247479","2020-10-21","18:00:00",""
"4134102","13.1942","0.0012","7.7179","0.0006","17.793","0.003","90","","90","","90","","1811.9","0.4","273","2","273","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H13 B F4 N2 -","- C6 H13 B F4 N2 -","- C48 H104 B8 F32 N16 -","8","2","","Wei, Zhen-Hong; Jiang, Zhen-Tao; Zhang, Xiu-Xiu; Li, Ming-Li; Tang, Yuan-Yuan; Chen, Xiao-Gang; Cai, Hu; Xiong, Ren-Gen","Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory.","Journal of the American Chemical Society","2020","142","4","1995","2000","10.1021/jacs.9b11665","","","0.71073","MoKα","","0.1281","0.1046","","","0.2894","0.3123","","","","","","1.003","","","","has coordinates","247480","2020-10-21","18:00:00",""
"4134103","11.6748","0.0007","15.0381","0.001","36.178","0.002","90","","90","","90","","6351.7","0.7","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H43 N3 -","- C40 H43 N3 -","- C320 H344 N24 -","8","1","","An, Feng; Maji, Biplab; Min, Elizabeth; Ofial, Armin R.; Mayr, Herbert","Basicities and Nucleophilicities of Pyrrolidines and Imidazolidinones Used as Organocatalysts.","Journal of the American Chemical Society","2020","142","3","1526","1547","10.1021/jacs.9b11877","","","0.71073","MoKα","","0.0801","0.0486","","","0.088","0.0979","","","","","","1.066","","","","has coordinates","247481","2020-10-21","18:00:00",""
"4134104","11.7135","0.0014","14.8409","0.0015","12.0272","0.0013","90","","106.018","0.004","90","","2009.6","0.4","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Br N3 -","- C25 H22 Br N3 -","- C100 H88 Br4 N12 -","4","1","","Lou, Shao-Jie; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Construction of All-Carbon Quaternary Stereocenters by Scandium-Catalyzed Intramolecular C-H Alkylation of Imidazoles with 1,1-Disubstituted Alkenes.","Journal of the American Chemical Society","2020","142","3","1200","1205","10.1021/jacs.9b12503","","","0.71073","MoKα","","0.0543","0.0481","","","0.13","0.1363","","","","","","1.044","","","","has coordinates","247482","2020-10-21","18:00:00",""
"4134105","6.1625","0.0005","8.0217","0.0007","12.3804","0.0011","91.478","0.007","97.316","0.007","111.443","0.008","563.27","0.09","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H25 Br N2 O -","- C27 H25 Br N2 O -","- C27 H25 Br N2 O -","1","1","","Lou, Shao-Jie; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Construction of All-Carbon Quaternary Stereocenters by Scandium-Catalyzed Intramolecular C-H Alkylation of Imidazoles with 1,1-Disubstituted Alkenes.","Journal of the American Chemical Society","2020","142","3","1200","1205","10.1021/jacs.9b12503","","","0.71073","MoKα","","0.0639","0.0545","","","0.1365","0.1418","","","","","","1.029","","","","has coordinates","247483","2020-10-21","18:00:00",""
"4134106","9.9079","0.0014","17.101","0.003","21.218","0.004","90","","97.44","0.005","90","","3564.8","1","273","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 -","- C23 H24 N2 -","- C184 H192 N16 -","8","2","","Lou, Shao-Jie; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Construction of All-Carbon Quaternary Stereocenters by Scandium-Catalyzed Intramolecular C-H Alkylation of Imidazoles with 1,1-Disubstituted Alkenes.","Journal of the American Chemical Society","2020","142","3","1200","1205","10.1021/jacs.9b12503","","","0.71073","MoKα","","0.1241","0.0926","","","0.2525","0.2996","","","","","","1.1796","","","","has coordinates","247484","2020-10-21","18:00:00",""
"4134107","51.021","0.003","8.3783","0.0007","8.2874","0.0006","90","","90","","90","","3542.6","0.4","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C10 H36 Br10 N4 Sn3 -","- C10 H36 Br10 N4 Sn3 -","- C40 H144 Br40 N16 Sn12 -","4","0.5","","Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua","A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor.","Journal of the American Chemical Society","2020","142","3","1159","1163","10.1021/jacs.9b11341","","","0.71073","MoKα","","0.1423","0.1029","","","0.2531","0.2775","","","","","","1.103","","","","has coordinates","247485","2020-10-21","18:00:00",""
"4134108","5.9165","0.0008","5.9165","0.0008","51.658","0.007","90","","90","","90","","1808.3","0.4","373","2","373","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C10 H36 Br10 N4 Sn3 -","- C10 H36 Br10 N4 Sn3 -","- C20 H72 Br20 N8 Sn6 -","2","0.125","","Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua","A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor.","Journal of the American Chemical Society","2020","142","3","1159","1163","10.1021/jacs.9b11341","","","0.71073","MoKα","","0.0836","0.0431","","","0.0924","0.1123","","","","","","1.03","","","","has coordinates,has disorder","247486","2020-10-21","18:00:00",""
"4134109","8.3285","0.0003","51.1418","0.0017","8.3709","0.0003","90","","90","","90","","3565.5","0.2","330","2","330","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C10 H36 Br10 N4 Sn3 -","- C10 H36 Br10 N4 Sn3 -","- C40 H144 Br40 N16 Sn12 -","4","0.25","","Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua","A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor.","Journal of the American Chemical Society","2020","142","3","1159","1163","10.1021/jacs.9b11341","","","0.71073","MoKα","","0.089","0.0628","","","0.175","0.2008","","","","","","1.007","","","","has coordinates","247487","2020-10-21","18:00:00",""
"4134110","28.1578","0.0002","10.3555","0.0001","12.9667","0.0001","90","","93.156","0.001","90","","3775.2","0.05","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C176 H208 N16 O24 -","8","1","","Haelsig, Karl T.; Xuan, Jun; Maimone, Thomas J.","Total Synthesis of (-)-Curvulamine.","Journal of the American Chemical Society","2020","142","3","1206","1210","10.1021/jacs.9b12546","","","1.54184","CuKα","","0.0415","0.0393","","","0.1061","0.1079","","","","","","1.07","","","","has coordinates","247488","2020-10-21","18:00:00",""
"4134114","4.5618","0.0004","16.2462","0.0015","24.088","0.002","90","","91.259","0.01","90","","1784.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","o-phenanthroline / 1,4-diiodotetrafluorobenzene","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C72 H32 F16 I8 N8 -","4","1","","Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael","Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional <sup>19</sup>F Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2020","142","3","1645","1654","10.1021/jacs.9b13701","","","0.71073","MoKα","","0.0763","0.048","","","0.103","0.1092","","","","","","1.029","","","","has coordinates","247492","2020-10-21","18:00:00",""
"4134115","10.4907","0.0002","5.5679","0.0001","23.0787","0.0004","90","","90.765","0.001","90","","1347.93","0.04","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","acr-tfib 2/1","acridine-tetrafluoro-1,4-dioodobenzene 2/1","","- C32 H18 F4 I2 N2 -","- C32 H18 F4 I2 N2 -","- C64 H36 F8 I4 N4 -","2","0.5","","Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael","Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional <sup>19</sup>F Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2020","142","3","1645","1654","10.1021/jacs.9b13701","","","0.71073","MoKα","","0.0514","0.0346","","","0.096","0.1249","","","","","","1.214","","","","has coordinates","247493","2020-10-21","18:00:00",""
"4134116","11.0573","0.0004","5.7031","0.0002","14.0136","0.0006","90","","106.908","0.003","90","","845.51","0.06","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,3,5,6-tetramethylpyrazine / 1,4-diiodotetrafluorobenzene","2,3,5,6-tetramethylpyrazine / 1,4-diiodotetrafluorobenzene","","- C14 H12 F4 I2 N2 -","- C14 H12 F4 I2 N2 -","- C28 H24 F8 I4 N4 -","2","0.5","","Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael","Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional <sup>19</sup>F Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2020","142","3","1645","1654","10.1021/jacs.9b13701","","","0.71073","MoKα","","0.0586","0.0297","","","0.0675","0.0785","","","","","","1","","","","has coordinates","247494","2020-10-21","18:00:00",""
"4134117","8.6329","0.0012","9.156","0.0013","12.5796","0.0018","99.119","0.002","100.021","0.003","90.017","0.002","966.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","5-fluorouracil","","- C4 H3 F N2 O2 -","- C4 H3 F N2 O2 -","- C32 H24 F8 N16 O16 -","8","4","","Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael","Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional <sup>19</sup>F Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2020","142","3","1645","1654","10.1021/jacs.9b13701","","","0.71073","MoKα","","0.0661","0.0491","","","0.1112","0.1216","","","","","","1.017","","","","has coordinates","247495","2020-10-21","18:00:00",""
"4134118","16.8553","0.0004","12.3832","0.0003","37.1996","0.0008","90","","93.846","0.002","90","","7746.9","0.3","170","0.1","170","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H51 N O2 -","- C49 H51 N O2 -","- C392 H408 N8 O16 -","8","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1141","0.0818","","","0.2209","0.2584","","","","","","1.042","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4134119","14.2903","0.0005","17.0847","0.0004","17.5892","0.0005","90","","97.972","0.003","90","","4252.8","0.2","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H52 Cl3 N -","- C51 H52 Cl3 N -","- C204 H208 Cl12 N4 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1603","0.1252","","","0.3612","0.3981","","","","","","1.471","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4134120","33.0129","0.0012","14.4043","0.0005","25.2944","0.001","90","","112.475","0.004","90","","11114.6","0.8","100.2","0.9","100.2","0.9","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C67.53 H61.29 Cl3.64 -","- C67.557 H61.294 Cl3.647 -","- C540.456 H490.352 Cl29.176 -","8","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1453","0.1151","","","0.3206","0.3593","","","","","","1.294","","","","has coordinates,has disorder","247498","2020-10-21","18:00:00",""
"4134121","10.5901","0.0001","13.8435","0.0002","26.7612","0.0004","90","","94.326","0.001","90","","3912.12","0.09","169.99","0.11","169.99","0.11","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H59 O2 -","- C50 H59 O2 -","- C200 H236 O8 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.107","0.0703","","","0.1856","0.2035","","","","","","1.097","","","","has coordinates","247499","2020-10-21","18:00:00",""
"4134122","17.5666","0.0004","11.9458","0.0002","21.4091","0.0005","90","","111.119","0.003","90","","4190.89","0.18","169.98","0.1","169.98","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 -","- C48 H68 -","- C192 H272 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.0727","0.0702","","","0.1776","0.18","","","","","","1.076","","","","has coordinates","247500","2020-10-21","18:00:00",""
"4134123","14.1678","0.0002","17.2717","0.0003","17.8226","0.0002","90","","97.914","0.001","90","","4319.69","0.11","170","0.1","170","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H59 N -","- C50 H59 N -","- C200 H236 N4 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.0773","0.0616","","","0.1735","0.1885","","","","","","1.066","","","","has coordinates","247501","2020-10-21","18:00:00",""
"4134124","17.7064","0.0003","18.1407","0.0003","19.7159","0.0004","90","","108.079","0.002","90","","6020.2","0.2","169.99","0.11","169.99","0.11","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C82 H80 -","- C82 H80 -","- C328 H320 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1004","0.0734","","","0.1966","0.2213","","","","","","1.042","","","","has coordinates","247502","2020-10-21","18:00:00",""
"4134125","18.4244","0.0005","10.1229","0.0002","42.563","0.001","90","","99.643","0.002","90","","7826.2","0.3","169.99","0.1","169.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C98 H98 Cl6 -","- C98 H98 Cl6 -","- C392 H392 Cl24 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1845","0.1406","","","0.3849","0.4208","","","","","","1.421","","","","has coordinates,has disorder","247503","2020-10-21","18:00:00",""
"4134130","26.8848","0.0011","18.2115","0.0008","28.4594","0.0013","90","","90","","90","","13934.1","1.1","90","","90","","","","","","","","","8","P c a 21","P 2c -2ac","29","","C75H72BCl8F4N4O3Ru","","- C75 H71 B Cl8 F4 N4 O3 Ru -","- C75 H71 B Cl8 F4 N4 O3 Ru -","- C600 H568 B8 Cl64 F32 N32 O24 Ru8 -","8","2","","Zhang, Yutong; Diver, Steven T.","A Macrocyclic Ruthenium Carbene for Size-Selective Alkene Metathesis.","Journal of the American Chemical Society","2020","142","7","3371","3374","10.1021/jacs.0c00081","","","0.71073","MoKα","","0.0916","0.0687","","","0.1789","0.1981","","","","","","1.036","","","","has coordinates,has disorder","248710","2020-10-21","18:00:00",""
"4134138","9.587","0.0002","13.1727","0.0003","16.0211","0.0003","91.788","0.002","91.228","0.001","91.613","0.002","2020.96","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","Pd(PCy3)2(OAc)2","","","- C40 H72 O4 P2 Pd -","- C40 H72 O4 P2 Pd -","- C80 H144 O8 P4 Pd2 -","2","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0306","0.026","","","0.0641","0.0659","","","","","","1.053","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134139","10.2937","0.0003","13.7632","0.0003","17.3117","0.0004","87.089","0.002","73.891","0.002","76.606","0.002","2291.99","0.1","169.97","0.18","169.97","0.18","","","","","","","","6","P -1","-P 1","2","Pd(PCy3)2(OAc)(SO2C6H4Me)","","","- C45 H76 O4 P2 Pd S -","- C45 H76 O4 P2 Pd S -","- C90 H152 O8 P4 Pd2 S2 -","2","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0304","0.0259","","","0.0622","0.0642","","","","","","1.053","","","","has coordinates","248712","2020-10-21","18:00:00",""
"4134140","10.0029","0.0002","29.0336","0.0008","11.5546","0.0003","90","","97.295","0.002","90","","3328.53","0.14","169.98","0.1","169.98","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Pd(PCy3)(SO2C5H3N)2","","","- C29 H43 Cl2 N2 O4 P Pd S2 -","- C29 H43 Cl2 N2 O4 P Pd S2 -","- C116 H172 Cl8 N8 O16 P4 Pd4 S8 -","4","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0326","0.0252","","","0.0535","0.0559","","","","","","1.019","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134141","13.3684","0.0004","24.2919","0.0006","9.5064","0.0002","90","","99.501","0.002","90","","3044.8","0.14","169.99","0.1","169.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(4-F-C6H4)Pd(PCy3)(SO2C6H4Me)]2","","","- C62 H88 F2 O4 P2 Pd2 S2 -","- C62 H88 F2 O4 P2 Pd2 S2 -","- C124 H176 F4 O8 P4 Pd4 S4 -","2","0.5","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0541","0.0408","","","0.0769","0.0802","","","","","","1.163","","","","has coordinates","248712","2020-10-21","18:00:00",""
"4134142","13.5764","0.001","24.6","0.002","9.5037","0.0006","90","","100.444","0.007","90","","3121.5","0.4","150","0.19","150","0.19","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(4-F-C6H4)Pd(PCy3)(SO2C6H4CF3)]2","","","- C62 H82 F8 O4 P2 Pd2 S2 -","- C62 H82 F8 O4 P2 Pd2 S2 -","- C124 H164 F16 O8 P4 Pd4 S4 -","2","0.5","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.0669","0.0611","","","0.1464","0.1502","","","","","","1.071","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134143","33.707","0.002","9.0995","0.0003","27.7743","0.0018","90","","130.842","0.011","90","","6444.6","1.2","169.98","0.1","169.98","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","(4-F-C6H4)Pd(PCy3)(SO2C6H4N)","","","- C32 H48 F N O2 P Pd S -","- C32 H48 F N O2 P Pd S -","- C256 H384 F8 N8 O16 P8 Pd8 S8 -","8","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0588","0.0386","","","0.0814","0.0886","","","","","","1.059","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134144","8.8944","0.0003","10.3439","0.0003","17.8359","0.0007","79.425","0.003","82.298","0.003","78.361","0.002","1571.88","0.1","150.01","0.12","150.01","0.12","","","","","","","","9","P -1","-P 1","2","(4-F-C6H4)Pd(PCy3)(SO2C6H3NOMe)","","","- C30.5 H44 Cl F N O3 P Pd S -","- C30.5 H44 Cl F N O3 P Pd S -","- C61 H88 Cl2 F2 N2 O6 P2 Pd2 S2 -","2","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.0341","0.0292","","","0.0703","0.0734","","","","","","1.037","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134145","12.1932","0.0007","13.162","0.0007","13.4651","0.0008","64.568","0.005","86.354","0.005","77.968","0.005","1907.9","0.2","150.01","0.1","150.01","0.1","","","","","","","","9","P -1","-P 1","2","(4-F-C6H4)Pd(PCy3)(SO2C6H3NtBu)","","","- C68 H100 Cl6 F2 N2 O4 P2 Pd2 S2 -","- C68 H100 Cl6 F2 N2 O4 P2 Pd2 S2 -","- C68 H100 Cl6 F2 N2 O4 P2 Pd2 S2 -","1","0.5","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.057","0.0463","","","0.1187","0.1324","","","","","","1.034","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134146","9.7818","0.0003","13.9735","0.0004","33.9579","0.0009","90","","90","","90","","4641.6","0.2","169.98","0.1","169.98","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","(4-F-C6H4)Pd(PCy3)2(SO2C6H4Me)","","","- C47.95 H75.95 Br0.15 F O1.7 P2 Pd S0.85 -","- C47.95 H75.95 Br0.15 F O1.7 P2 Pd S0.85 -","- C191.8 H303.8 Br0.6 F4 O6.8 P8 Pd4 S3.4 -","4","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.055","0.0468","","","0.0989","0.102","","","","","","1.108","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134147","9.5185","0.0006","13.3787","0.0006","14.2586","0.0008","62.876","0.005","78.221","0.005","78.401","0.004","1569.84","0.17","150.01","0.11","150.01","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C62 H88 F2 O6 P2 Pd2 S2 -","- C62 H88 F2 O6 P2 Pd2 S2 -","- C62 H88 F2 O6 P2 Pd2 S2 -","1","0.5","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.0851","0.0685","","","0.1942","0.2221","","","","","","1.055","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134148","10.5859","0.0001","20.2148","0.0002","28.1308","0.0003","90","","95.53","0.001","90","","5991.75","0.1","150","0.13","150","0.13","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 F4 N O2 P Pd S -","- C30 H40 F4 N O2 P Pd S -","- C240 H320 F32 N8 O16 P8 Pd8 S8 -","8","2","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.0315","0.0275","","","0.0663","0.0687","","","","","","1.051","","","","has coordinates","248712","2020-10-21","18:00:00",""
"4134149","11.2702","0.0007","11.8317","0.0007","12.8794","0.001","100.208","0.003","90.767","0.003","110.714","0.003","1575.56","0.19","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H90 N6 O4 Ru -","- C72 H90 N6 O4 Ru -","- C72 H90 N6 O4 Ru -","1","0.5","","Dunn, Peter L.; Johnson, Samantha I.; Kaminsky, Werner; Bullock, R. Morris","Diversion of Catalytic C-N Bond Formation to Catalytic Oxidation of NH<sub>3</sub> through Modification of the Hydrogen Atom Abstractor.","Journal of the American Chemical Society","2020","142","7","3361","3365","10.1021/jacs.9b13706","","x-ray","0.71073","MoKα","","0.0876","0.0643","","","0.1407","0.1521","","","","","","1.027","","","","has coordinates,has disorder","248711","2020-10-21","18:00:00",""
"4134150","9.6158","0.0009","10.5411","0.001","13.8499","0.0014","99.752","0.003","106.021","0.004","98.98","0.004","1299","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H36 O -","- C33 H36 O -","- C66 H72 O2 -","2","1","","Dunn, Peter L.; Johnson, Samantha I.; Kaminsky, Werner; Bullock, R. Morris","Diversion of Catalytic C-N Bond Formation to Catalytic Oxidation of NH<sub>3</sub> through Modification of the Hydrogen Atom Abstractor.","Journal of the American Chemical Society","2020","142","7","3361","3365","10.1021/jacs.9b13706","","","0.71073","MoKα","","0.0666","0.0521","","","0.132","0.1433","","","","","","1.031","","","","has coordinates","248711","2020-10-21","18:00:00",""
"4134151","9.8007","0.0008","15.2538","0.001","18.072","0.0012","90","","90.781","0.003","90","","2701.5","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H73 N O2 -","- C68 H73 N O2 -","- C136 H146 N2 O4 -","2","1","","Dunn, Peter L.; Johnson, Samantha I.; Kaminsky, Werner; Bullock, R. Morris","Diversion of Catalytic C-N Bond Formation to Catalytic Oxidation of NH<sub>3</sub> through Modification of the Hydrogen Atom Abstractor.","Journal of the American Chemical Society","2020","142","7","3361","3365","10.1021/jacs.9b13706","","","0.71073","MoKα","","0.0592","0.0501","","","0.12","0.1263","","","","","","1.016","","","","has coordinates","248711","2020-10-21","18:00:00",""
"4134159","25.574","0.005","27.719","0.006","29.313","0.006","90","","108.43","0.03","90","","19714","8","153","2","153","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H133 F12 N2 O12 P2 -","- C102 H133 F12 N2 O12 P2 -","- C816 H1064 F96 N16 O96 P16 -","8","1","","Jia, Fei; Schröder, Hendrik V; Yang, Liu-Pan; von Essen, Carolina; Sobottka, Sebastian; Sarkar, Biprajit; Rissanen, Kari; Jiang, Wei; Schalley, Christoph A.","Redox-Responsive Host-Guest Chemistry of a Flexible Cage with Naphthalene Walls.","Journal of the American Chemical Society","2020","142","7","3306","3310","10.1021/jacs.9b11685","","","0.71073","MoKα","","0.1368","0.077","","","0.1705","0.2076","","","","","","1.02","","","","has coordinates","248709","2020-10-21","18:00:00",""
"4134164","10.0903","0.0005","16.1879","0.0007","14.6275","0.0006","90","","90","","90","","2389.27","0.19","90","2","90","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H34 Co N7 O2 -","- C18 H34 Co N7 O2 -","- C72 H136 Co4 N28 O8 -","4","0.5","","Wang, Junhao; Zakrzewski, Jakub J.; Heczko, Michal; Zychowicz, Mikolaj; Nakagawa, Kosuke; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Proton Conductive Luminescent Thermometer Based on Near-Infrared Emissive {YbCo<sub>2</sub>} Molecular Nanomagnets.","Journal of the American Chemical Society","2020","142","8","3970","3979","10.1021/jacs.9b13147","","x-ray","0.71075","MoKα","","0.1824","0.1617","","","0.2585","0.2664","","","","","","1.417","","","","has coordinates,has disorder","248703","2020-10-21","18:00:00",""
"4134165","12.7427","0.001","12.7427","0.001","19.2613","0.0007","90","","90","","90","","3127.6","0.4","90","2","90","2","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- C36 H83 Co2 N24 O8 P4 Yb -","- C36 H83 Co2 N24 O8 P4 Yb -","- C72 H166 Co4 N48 O16 P8 Yb2 -","2","0.0625","","Wang, Junhao; Zakrzewski, Jakub J.; Heczko, Michal; Zychowicz, Mikolaj; Nakagawa, Kosuke; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Proton Conductive Luminescent Thermometer Based on Near-Infrared Emissive {YbCo<sub>2</sub>} Molecular Nanomagnets.","Journal of the American Chemical Society","2020","142","8","3970","3979","10.1021/jacs.9b13147","","x-ray","0.71075","MoKα","","0.0678","0.0672","","","0.1696","0.1704","","","","","","1.098","","","","has coordinates,has disorder","248703","2020-10-21","18:00:00",""
"4134166","9.9436","0.0003","10.0616","0.0003","33.1823","0.001","90","","94.971","0.001","90","","3307.35","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H32 B2 N2 O2 -","- C23 H32 B2 N2 O2 -","- C138 H192 B12 N12 O12 -","6","3","","Viereck, Peter; Krautwald, Simon; Pabst, Tyler P.; Chirik, Paul J.","A Boron Activating Effect Enables Cobalt-Catalyzed Asymmetric Hydrogenation of Sterically Hindered Alkenes.","Journal of the American Chemical Society","2020","142","8","3923","3930","10.1021/jacs.9b12214","","","1.54178","CuKα","","0.0483","0.0461","","","0.1253","0.1281","","","","","","1.123","","","","has coordinates","248705","2020-10-21","18:00:00",""
"4134167","12.8184","0.0005","14.4126","0.0006","13.8468","0.0005","90","","98.915","0.001","90","","2527.24","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H31 B3 N4 O2 -","- C28 H31 B3 N4 O2 -","- C112 H124 B12 N16 O8 -","4","2","","Viereck, Peter; Krautwald, Simon; Pabst, Tyler P.; Chirik, Paul J.","A Boron Activating Effect Enables Cobalt-Catalyzed Asymmetric Hydrogenation of Sterically Hindered Alkenes.","Journal of the American Chemical Society","2020","142","8","3923","3930","10.1021/jacs.9b12214","","","1.54178","CuKα","","0.0467","0.0464","","","0.1247","0.1251","","","","","","1.038","","","","has coordinates","248705","2020-10-21","18:00:00",""
"4134168","13.6508","0.0005","6.5437","0.0002","16.043","0.0005","90","","96.376","0.003","90","","1424.2","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 B O2 -","- C16 H21 B O2 -","- C64 H84 B4 O8 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0681","0.0504","","","0.1082","0.1172","","","","","","1.031","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134169","16.4821","0.0011","11.7361","0.0007","12.1569","0.0007","90","","110.168","0.007","90","","2207.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B2 O4 -","- C22 H32 B2 O4 -","- C88 H128 B8 O16 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0936","0.0713","","","0.1815","0.1906","","","","","","0.99","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134170","12.6555","0.0004","11.109","0.0004","9.1227","0.0004","90","","98.759","0.004","90","","1267.6","0.08","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 F3 -","- C17 H13 F3 -","- C68 H52 F12 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0629","0.0464","","","0.0975","0.1063","","","","","","1.063","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134171","6.0297","0.0002","17.3499","0.0005","18.4258","0.0007","69.193","0.003","84.17","0.003","86.052","0.003","1791.46","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C96 H78 N6 O12 -","6","3","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.1","0.0576","","","0.1145","0.1306","","","","","","1.013","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134172","6.1082","0.0002","7.4449","0.0002","13.477","0.0005","90","","94.885","0.003","90","","610.64","0.03","150","0.14","150","0.14","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O -","- C17 H16 O -","- C34 H32 O2 -","2","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0518","0.0425","","","0.0871","0.0907","","","","","","1.026","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134173","14.0151","0.0005","6.2442","0.0002","24.7473","0.0008","90","","101.462","0.004","90","","2122.52","0.13","150","2","150","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C14 H12 S -","- C14 H12 S -","- C112 H96 S8 -","8","2","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0478","0.0397","","","0.0832","0.087","","","","","","1.028","","","","has coordinates,has disorder","248706","2020-10-21","18:00:00",""
"4134174","9.8589","0.0007","7.7089","0.0005","48.243","0.003","90","","90","","90","","3666.5","0.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 F6 -","- C24 H16 F6 -","- C192 H128 F48 -","8","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.1475","0.0879","","","0.1446","0.1673","","","","","","1.11","","","","has coordinates,has disorder","248706","2020-10-21","18:00:00",""
"4134175","10.598","0.0004","11.569","0.0005","14.0558","0.0006","90","","91.353","0.004","90","","1722.88","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O4 -","- C22 H16 N2 O4 -","- C88 H64 N8 O16 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.1072","0.0557","","","0.0943","0.1125","","","","","","1.007","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134176","5.9688","0.0003","9.4191","0.0005","12.889","0.0006","109.12","0.005","92.769","0.004","96.001","0.004","678.27","0.06","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 N4 -","- C18 H14 N4 -","- C36 H28 N8 -","2","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0741","0.0473","","","0.0912","0.1007","","","","","","1.039","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134177","11.54","0.003","23.458","0.005","6.0948","0.0011","90","","92.458","0.018","90","","1648.4","0.6","150","0.14","150","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F3 -","- C23 H17 F3 -","- C92 H68 F12 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.2016","0.1052","","","0.2526","0.3094","","","","","","1.027","","","","has coordinates,has disorder","248706","2020-10-21","18:00:00",""
"4134178","6.0199","0.0005","10.2544","0.0008","13.5415","0.001","77.465","0.006","79.509","0.006","86.865","0.006","802.26","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 F3 N2 -","- C21 H15 F3 N2 -","- C42 H30 F6 N4 -","2","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.1036","0.0587","","","0.0964","0.1117","","","","","","1.049","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134179","14.6017","0.001","10.0834","0.0007","13.3292","0.0008","90","","90.884","0.007","90","","1962.3","0.2","149.9","0.2","149.9","0.2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C28 H22 -","- C28 H22 -","- C112 H88 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0885","0.0554","","","0.0967","0.1102","","","","","","1.017","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134180","12.0859","0.0008","14.622","0.0008","11.3077","0.0007","90","","90","","90","","1998.3","0.2","150.1","0.2","150.1","0.2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 -","- C13 H12 N2 -","- C104 H96 N16 -","8","2","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0753","0.0525","","","0.0929","0.1027","","","","","","1.031","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134181","5.9975","0.0003","10.0967","0.0005","13.1405","0.0008","108.776","0.005","90.715","0.005","96.917","0.004","746.78","0.07","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","","","- C22 H18 -","- C22 H18 -","- C44 H36 -","2","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0547","0.0445","","","0.1004","0.1066","","","","","","1.04","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134182","10.8015","0.0002","17.679","0.0003","19.6851","0.0014","90","","90","","90","","3759.1","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H34 Au Cl O5 P2 -","- C41 H34 Au Cl O5 P2 -","- C164 H136 Au4 Cl4 O20 P8 -","4","1","","Zhang, Zhenhao; Smal, Vitalii; Retailleau, Pascal; Voituriez, Arnaud; Frison, Gilles; Marinetti, Angela; Guinchard, Xavier","Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis.","Journal of the American Chemical Society","2020","142","8","3797","3805","10.1021/jacs.9b11154","","","1.54187","CuKα","","0.0386","0.0362","","","0.0839","0.0869","","","","","","1.082","","","","has coordinates","248702","2020-10-21","18:00:00",""
"4134183","11.26267","0.00018","19.0781","0.0004","31.7278","0.0006","90","","90","","90","","6817.4","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H25 Au Cl2 O3 P2 -","- C38 H25 Au Cl2 O3 P2 -","- C304 H200 Au8 Cl16 O24 P16 -","8","2","","Zhang, Zhenhao; Smal, Vitalii; Retailleau, Pascal; Voituriez, Arnaud; Frison, Gilles; Marinetti, Angela; Guinchard, Xavier","Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis.","Journal of the American Chemical Society","2020","142","8","3797","3805","10.1021/jacs.9b11154","","x-ray","0.71073","MoKα","","0.0661","0.0437","","","0.0874","0.0927","","","","","","1.045","","","","has coordinates","248702","2020-10-21","18:00:00",""
"4134184","6.6896","0.0003","8.6995","0.0003","28.863","0.002","90","","90","","90","","1679.72","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Zhang, Zhenhao; Smal, Vitalii; Retailleau, Pascal; Voituriez, Arnaud; Frison, Gilles; Marinetti, Angela; Guinchard, Xavier","Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis.","Journal of the American Chemical Society","2020","142","8","3797","3805","10.1021/jacs.9b11154","","","1.54187","CuKα","","0.0326","0.0297","","","0.0747","0.0789","","","","","","1.075","","","","has coordinates","248702","2020-10-21","18:00:00",""
"4134185","8.2617","0.0002","10.119","0.0003","19.4887","0.0005","90","","90","","90","","1629.26","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","1.54184","CuKα","","0.0404","0.0372","","","0.0967","0.1003","","","","","","1.026","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134186","10.8561","0.0001","10.8561","0.0001","41.1767","0.0006","90","","90","","90","","4852.88","0.09","179.99","0.1","179.99","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C25 H36 O6 Si -","- C25 H36 O6 Si -","- C200 H288 O48 Si8 -","8","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0359","0.0334","","","0.0873","0.0888","","","","","","1.017","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134187","10.2109","0.0002","13.271","0.0002","14.7561","0.0002","90","","90","","90","","1999.58","0.06","180","0.2","180","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 Br O5 -","- C22 H27 Br O5 -","- C88 H108 Br4 O20 -","4","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0294","0.0266","","","0.0682","0.0696","","","","","","1.05","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134188","13.6338","0.0005","11.3956","0.0003","16.6242","0.0005","90","","110.443","0.004","90","","2420.16","0.15","180","0.1","180","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 O9 -","- C26 H38 O9 -","- C104 H152 O36 -","4","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0608","0.045","","","0.1075","0.114","","","","","","1.041","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134189","7.2201","0.0003","16.362","0.0009","34.0093","0.0018","90","","90","","90","","4017.7","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O5 -","- C22 H28 O5 -","- C176 H224 O40 -","8","2","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","1.54184","CuKα","","0.072","0.0421","","","0.0857","0.093","","","","","","1.052","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134190","7.0005","0.0003","7.3078","0.0003","10.9418","0.0003","71.334","0.003","87.561","0.003","84.38","0.003","527.73","0.04","179.99","0.1","179.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C23 H37 N O5 -","- C23 H37 N O5 -","- C23 H37 N O5 -","1","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0308","0.0291","","","0.0806","0.0823","","","","","","1.056","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134191","14.1237","0.0003","12.3532","0.0003","20.8073","0.0004","90","","90","","90","","3630.31","0.14","180","0.1","180","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H28 O5 -","- C22 H28 O5 -","- C176 H224 O40 -","8","2","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","1.54184","CuKα","","0.0481","0.0417","","","0.1121","0.1188","","","","","","1.029","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134192","13.5823","0.0002","10.5419","0.0002","19.9707","0.0003","90","","91.607","0.002","90","","2858.35","0.08","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 O5 Si2 -","- C28 H44 O5 Si2 -","- C112 H176 O20 Si8 -","4","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0458","0.0383","","","0.1015","0.1058","","","","","","1.015","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134193","12.7153","0.0003","8.016","0.0002","14.8477","0.0004","90","","105.261","0.002","90","","1460","0.07","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H18 Br2 O3 -","- C14 H18 Br2 O3 -","- C56 H72 Br8 O12 -","4","2","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.042","0.0362","","","0.0774","0.0793","","","","","","1.015","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134194","8.4588","0.0011","14.545","0.002","20.429","0.003","90","","90","","90","","2513.4","0.6","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N O2 S -","- C30 H27 N O2 S -","- C120 H108 N4 O8 S4 -","4","1","","Kondoh, Azusa; Ishikawa, Sho; Terada, Masahiro","Development of Chiral Ureates as Chiral Strong Brønsted Base Catalysts.","Journal of the American Chemical Society","2020","142","8","3724","3728","10.1021/jacs.9b13922","","","0.71075","MoKα","","0.0492","0.0405","","","0.0918","0.0967","","","","","","1.046","","","","has coordinates","248707","2020-10-21","18:00:00",""
"4134195","8.6108","0.0009","16.6846","0.0017","17.8727","0.0019","90","","90","","90","","2567.7","0.5","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O3 S -","- C27 H30 N2 O3 S -","- C108 H120 N8 O12 S4 -","4","1","","Kondoh, Azusa; Ishikawa, Sho; Terada, Masahiro","Development of Chiral Ureates as Chiral Strong Brønsted Base Catalysts.","Journal of the American Chemical Society","2020","142","8","3724","3728","10.1021/jacs.9b13922","","","0.71075","MoKα","","0.0449","0.0388","","","0.0886","0.0914","","","","","","1.07","","","","has coordinates","248707","2020-10-21","18:00:00",""
"4134196","8.4797","0.0014","9.7632","0.0017","13.361","0.002","90","","101.819","0.007","90","","1082.7","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 N O5 S2 -","- C23 H23 N O5 S2 -","- C46 H46 N2 O10 S4 -","2","1","","Kondoh, Azusa; Ishikawa, Sho; Terada, Masahiro","Development of Chiral Ureates as Chiral Strong Brønsted Base Catalysts.","Journal of the American Chemical Society","2020","142","8","3724","3728","10.1021/jacs.9b13922","","","0.71075","MoKα","","0.0431","0.0421","","","0.1074","0.1084","","","","","","1.034","","","","has coordinates","248707","2020-10-21","18:00:00",""
"4134197","11.04683","0.00014","9.43212","0.00012","16.266","0.0002","90","","96.9247","0.0012","90","","1682.47","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H45 N O9 -","- C37 H45 N O9 -","- C74 H90 N2 O18 -","2","1","","Mayfield, Andrew B.; Metternich, Jan B.; Trotta, Adam H.; Jacobsen, Eric N.","Stereospecific Furanosylations Catalyzed by Bis-thiourea Hydrogen-Bond Donors.","Journal of the American Chemical Society","2020","142","8","4061","4069","10.1021/jacs.0c00335","","","1.54178","CuKα","","0.0352","0.0341","","","0.0905","0.0913","","","","","","1.069","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4134198","52.0158","0.0016","8.9727","0.0003","8.9745","0.0003","90","","90","","90","","4188.6","0.2","298","2","298.01","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C48 H160 I40 N16 Pb12 -","4","0.5","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","","0.71073","MoKα","","0.0599","0.0444","","","0.1257","0.1425","","","","","","1.077","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134199","52.169","0.006","8.9731","0.0006","8.9417","0.0011","90","","90.073","0.009","90","","4185.8","0.8","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C48 H160 I40 N16 Pb12 -","4","1","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","x-ray","0.71073","MoKα","","0.0851","0.0778","","","0.087","0.0872","","","","4.89","4.89","4.59","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134200","52.424","0.01","8.9841","0.0018","8.9429","0.0018","90","","90.15","0.03","90","","4211.9","1.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H36 I10 N4 Pb3 -","- C10 H36 I10 N4 Pb3 -","- C40 H144 I40 N16 Pb12 -","4","1","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","","0.71073","MoKα","","0.1587","0.0862","","","0.227","0.3164","","","","","","0.993","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134201","52.209","0.006","8.9061","0.0006","8.94","0.0011","90","","90.002","0.009","90","","4156.9","0.8","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H36 I10 N4 Pb3 -","- C10 H36 I10 N4 Pb3 -","- C40 H144 I40 N16 Pb12 -","4","1","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","x-ray","0.71073","MoKα","","0.1597","0.1086","","","0.1095","0.1127","","","","5.38","5.38","4.78","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134283","15.5578","0.0001","18.7553","0.0001","43.8495","0.0003","90","","90","","90","","12794.9","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Br2 O13 -","- C132.001 H176.002 Br2.0004 O13.0002 -","- C528.003 H704.006 Br8.0016 O52.0008 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0601","0.0536","","","0.1493","0.1554","","","","","","1.034","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134284","15.5918","0.0001","18.7392","0.0001","43.8114","0.0002","90","","90","","90","","12800.7","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Cl2 O13 -","- C132 H176 Cl2 O13 -","- C528 H704 Cl8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0542","0.0506","","","0.1463","0.1504","","","","","","1.028","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134285","15.5129","0.0004","18.7006","0.0006","44.5116","0.0019","90","","90","","90","","12912.8","0.8","100","0.01","100","0.01","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C135 H184 O13 -","- C135 H184 O13 -","- C540 H736 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.1758","0.127","","","0.3005","0.3375","","","","","","1.068","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134286","15.6034","0.0001","18.747","0.0002","43.6221","0.0004","90","","90","","90","","12760.2","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C129.98 H171.96 Cl0.99 O12.5 -","- C129.98 H171.96 Cl0.99 O12.495 -","- C519.92 H687.84 Cl3.96 O49.98 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0837","0.0713","","","0.1983","0.2112","","","","","","1.036","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134287","15.6135","0.0001","18.7515","0.0001","43.6512","0.0002","90","","90","","90","","12780","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Cl2 O13 -","- C132 H176 Cl2 O13 -","- C528 H704 Cl8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0757","0.0718","","","0.2119","0.2171","","","","","","1.028","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134288","43.9914","0.0003","18.7402","0.0001","15.6122","0.0001","90","","90","","90","","12870.8","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0933","0.0902","","","0.2706","0.2754","","","","","","1.286","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134289","43.9781","0.0005","18.7317","0.0002","15.60869","0.00016","90","","90","","90","","12858.2","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Br2 O13 -","- C132 H176 Br2 O13 -","- C528 H704 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.089","0.0819","","","0.2392","0.2469","","","","","","1.022","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134290","15.5569","0.0001","18.739","0.0001","43.9862","0.0003","90","","90","","90","","12822.9","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C130.76 H173.51 Cl1.38 O12.69 -","- C130.756 H173.512 Cl1.378 O12.689 -","- C523.024 H694.048 Cl5.512 O50.756 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0686","0.0625","","","0.1783","0.1853","","","","","","1.031","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134291","15.6058","0.0001","18.7366","0.0001","43.8709","0.0003","90","","90","","90","","12827.8","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Br2 O13 -","- C132 H176 Br2 O13 -","- C528 H704 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0865","0.0821","","","0.2409","0.2481","","","","","","1.036","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134292","15.6092","0.0001","18.736","0.0001","44.0628","0.0003","90","","90","","90","","12886.3","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0679","0.0653","","","0.1875","0.1912","","","","","","1.024","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134293","15.5652","0.0001","18.7578","0.0001","43.9214","0.0003","90","","90","","90","","12823.7","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C130.65 H173.29 Br1.32 O12.66 -","- C130.644 H173.288 Br1.322 O12.661 -","- C522.576 H693.152 Br5.288 O50.644 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0963","0.089","","","0.256","0.2664","","","","","","1.022","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134294","44.1945","0.0002","18.7815","0.0001","15.5563","0.0001","90","","90","","90","","12912.3","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.057","0.0528","","","0.1485","0.1522","","","","","","1.024","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134295","15.4103","0.0001","18.6023","0.0001","44.9029","0.0002","90","","90","","90","","12872.2","0.12","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C134 H182 O13 -","- C134 H182 O13 -","- C536 H728 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0381","0.0366","","","0.0997","0.1011","","","","","","1.065","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134296","15.5483","0.0001","18.7836","0.0001","44.2547","0.0003","90","","90","","90","","12924.7","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0647","0.0515","","","0.1339","0.1432","","","","","","1.027","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134297","15.6234","0.0001","18.7658","0.0001","43.5913","0.0002","90","","90","","90","","12780.3","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C130.13 H172.26 Br1.07 O12.53 -","- C130.128 H172.256 Br1.064 O12.532 -","- C520.512 H689.024 Br4.256 O50.128 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.077","0.0733","","","0.2104","0.2149","","","","","","1.025","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134298","15.5193","0.0001","18.6716","0.0001","44.6387","0.0006","90","","90","","90","","12935","0.2","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C135 H184 O13 -","- C135 H184 O13 -","- C540 H736 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0668","0.0525","","","0.1366","0.1473","","","","","","1.032","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134313","12.5544","0.001","15.5553","0.0011","8.5423","0.0006","90","","102.753","0.008","90","","1627.1","0.2","143","2","143","2","","","","","","","","5","C 1 c 1","C -2yc","9","RM681","","","- C18 H14 I N O3 -","- C18 H14 I N O3 -","- C72 H56 I4 N4 O12 -","4","1","","Mayer, Robert J.; Ofial, Armin R.; Mayr, Herbert; Legault, Claude Y.","Lewis Acidity Scale of Diaryliodonium Ions toward Oxygen, Nitrogen, and Halogen Lewis Bases.","Journal of the American Chemical Society","2020","142","11","5221","5233","10.1021/jacs.9b12998","","","0.71073","MoKα","","0.0328","0.0272","","","0.0395","0.0421","","","","","","1.004","","","","has coordinates","250069","2020-10-21","18:00:00",""
"4134314","13.9493","0.0005","14.2632","0.0005","16.4732","0.0006","90","","101.861","0.001","90","","3207.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","RM686","","","- C19 H15 I O2 -","- C19 H15 I O2 -","- C152 H120 I8 O16 -","8","2","","Mayer, Robert J.; Ofial, Armin R.; Mayr, Herbert; Legault, Claude Y.","Lewis Acidity Scale of Diaryliodonium Ions toward Oxygen, Nitrogen, and Halogen Lewis Bases.","Journal of the American Chemical Society","2020","142","11","5221","5233","10.1021/jacs.9b12998","","","0.71073","MoKα","","0.0264","0.0193","","","0.037","0.0409","","","","","","1.11","","","","has coordinates","250069","2020-10-21","18:00:00",""
"4134364","12.0579","0.0003","6.4915","0.0002","13.4589","0.0004","90","","108.766","0.003","90","","997.48","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H15 Cl I N O -","- C7 H15 Cl I N O -","- C28 H60 Cl4 I4 N4 O4 -","4","1","","Prusinowski, Allen F.; Twumasi, Raymond K.; Wappes, Ethan A.; Nagib, David A.","<i>Vicinal</i>, Double C-H Functionalization of Alcohols via an Imidate Radical-Polar Crossover Cascade.","Journal of the American Chemical Society","2020","142","11","5429","5438","10.1021/jacs.0c01318","","","0.71073","MoKα","","0.0224","0.0211","","","0.0542","0.0548","","","","","","1.056","","","","has coordinates","250071","2020-10-21","18:00:00",""
"4134365","5.7822","0.0005","14.207","0.0011","26.733","0.002","90","","90","","90","","2196.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O6 -","- C24 H34 O6 -","- C96 H136 O24 -","4","1","","Wang, Yu; Chen, Bo; He, Xubiao; Gui, Jinghan","Bioinspired Synthesis of Nortriterpenoid Propindilactone G.","Journal of the American Chemical Society","2020","142","11","5007","5012","10.1021/jacs.0c00363","","","1.54178","CuKα","","0.093","0.0805","","","0.2093","0.227","","","","","","1.037","","","","has coordinates","250072","2020-10-21","18:00:00",""
"4134366","6.221","0.0004","18.4005","0.0011","20.3992","0.0015","90","","90","","90","","2335.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 O7 -","- C24 H38 O7 -","- C96 H152 O28 -","4","1","","Wang, Yu; Chen, Bo; He, Xubiao; Gui, Jinghan","Bioinspired Synthesis of Nortriterpenoid Propindilactone G.","Journal of the American Chemical Society","2020","142","11","5007","5012","10.1021/jacs.0c00363","","","1.54178","CuKα","","0.1384","0.0667","","","0.1709","0.2302","","","","","","1.044","","","","has coordinates","250072","2020-10-21","18:00:00",""
"4134372","13.2381","0.0011","13.2381","0.0011","4.0646","0.0003","90","","90","","90","","712.31","0.1","200","2","200","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Cs Cu5 Se3 -","- Cs Cu5 Se3 -","- Cs4 Cu20 Se12 -","4","0.25","","Ma, Ni; Li, Yan-Yan; Chen, Ling; Wu, Li-Ming","α-CsCu<sub>5</sub>Se<sub>3</sub>: Discovery of a Low-Cost Bulk Selenide with High Thermoelectric Performance.","Journal of the American Chemical Society","2020","142","11","5293","5303","10.1021/jacs.0c00062","","","0.71073","MoKα","","0.0872","0.0653","","","0.1351","0.1435","","","","","","1.232","","","","has coordinates","250068","2020-10-21","18:00:00",""
"4134373","13.2692","0.0007","13.2692","0.0007","4.0748","0.0003","90","","90","","90","","717.46","0.08","293","2","293","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Cs Cu5 Se3 -","- Cs Cu5 Se3 -","- Cs4 Cu20 Se12 -","4","0.25","","Ma, Ni; Li, Yan-Yan; Chen, Ling; Wu, Li-Ming","α-CsCu<sub>5</sub>Se<sub>3</sub>: Discovery of a Low-Cost Bulk Selenide with High Thermoelectric Performance.","Journal of the American Chemical Society","2020","142","11","5293","5303","10.1021/jacs.0c00062","","","0.71073","MoKα","","0.0549","0.0468","","","0.1173","0.1237","","","","","","1.079","","","","has coordinates","250068","2020-10-21","18:00:00",""
"4134374","13.2026","0.0012","13.2026","0.0012","4.0499","0.0003","90","","90","","90","","705.93","0.1","100","2","100","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Cs Cu5 Se3 -","- Cs Cu5 Se3 -","- Cs4 Cu20 Se12 -","4","0.25","","Ma, Ni; Li, Yan-Yan; Chen, Ling; Wu, Li-Ming","α-CsCu<sub>5</sub>Se<sub>3</sub>: Discovery of a Low-Cost Bulk Selenide with High Thermoelectric Performance.","Journal of the American Chemical Society","2020","142","11","5293","5303","10.1021/jacs.0c00062","","","0.71073","MoKα","","0.0717","0.0518","","","0.0941","0.1042","","","","","","1.124","","","","has coordinates","250068","2020-10-21","18:00:00",""
"4134375","12.723","0.003","12.723","0.003","25.81","0.007","90","","90","","120","","3618.2","1.6","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H50 Cu6 N6 O34.47 S8 -","- C12 H50 Cu6 N6 O34.474 S8 -","- C36 H150 Cu18 N18 O103.422 S24 -","3","0.166667","","Sorolla, 2nd, Maurice; Wang, Xiqu; Koo, Hyun-Joo; Whangbo, Myung-Hwan; Jacobson, Allan J.","Synthesis of the Elusive <i>S</i> = <sup>1</sup>/<sub>2</sub> Star Structure: A Possible Quantum Spin Liquid Candidate.","Journal of the American Chemical Society","2020","142","11","5013","5016","10.1021/jacs.0c00901","","","0.71073","MoKα","","0.0288","0.0258","","","0.0686","0.0699","","","","","","1.223","","","","has coordinates,has disorder","250070","2020-10-21","18:00:00",""
"4134376","32.134","0.005","5.583","0.0004","20.509","0.003","90","","109.643","0.007","90","","3465.3","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Marek147 (Veeru)","","","- C18 H25 F O2 -","- C18 H25 F O2 -","- C144 H200 F8 O16 -","8","1","","Lanke, Veeranjaneyulu; Marek, Ilan","Nucleophilic Substitution at Quaternary Carbon Stereocenters.","Journal of the American Chemical Society","2020","142","12","5543","5548","10.1021/jacs.0c01133","","","0.71073","MoKα","","0.161","0.0827","","","0.1537","0.1804","","","","","","1.057","","","","has coordinates","250081","2020-10-21","18:00:00",""
"4134377","5.893","0.004","9.976","0.007","13.552","0.006","108.412","0.002","94.764","0.001","104.611","0.003","719.9","0.8","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Marek155b (Veeru)","","","- C30 H44 F2 O4 -","- C30 H44 F2 O4 -","- C30 H44 F2 O4 -","1","0.5","","Lanke, Veeranjaneyulu; Marek, Ilan","Nucleophilic Substitution at Quaternary Carbon Stereocenters.","Journal of the American Chemical Society","2020","142","12","5543","5548","10.1021/jacs.0c01133","","","0.71073","MoKα","","0.0822","0.051","","","0.1196","0.1332","","","","","","1.017","","","","has coordinates","250081","2020-10-21","18:00:00",""
"4134378","8.8382","0.0007","15.3641","0.0016","28.9948","0.0019","92.772","0.006","97.63","0.003","96.14","0.004","3872.2","0.6","152","2","152.1","","","","","","","","","6","P -1","-P 1","2","","","","- C168 H198 Cl4 Ge4 N16 O -","- C168 H198 Cl4 Ge4 N16 O -","- C168 H198 Cl4 Ge4 N16 O -","1","0.5","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.1007","0.0838","","","0.197","0.2073","","","","","","1.071","","","","has coordinates,has disorder","250073","2020-10-21","18:00:00",""
"4134379","8.939","0.0018","17.513","0.004","26.736","0.005","90","","97.91","0.03","90","","4145.7","1.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H46 Cl4 Ge2 N4 -","- C41 H46 Cl4 Ge2 N4 -","- C164 H184 Cl16 Ge8 N16 -","4","1","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.68879","synchrotron","","0.0738","0.0705","","","0.2508","0.2576","","","","","","1.017","","","","has coordinates","250073","2020-10-21","18:00:00",""
"4134380","9.0522","0.0006","12.8275","0.0009","25.9222","0.0019","85.175","0.003","82.476","0.003","78.104","0.003","2914.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H50 Cl12 Ge N4 O4 -","- C55 H50 Cl12 Ge N4 O4 -","- C110 H100 Cl24 Ge2 N8 O8 -","2","1","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.0658","0.053","","","0.1112","0.1174","","","","","","1.067","","","","has coordinates","250073","2020-10-21","18:00:00",""
"4134381","27.994","0.004","8.6238","0.0012","40.445","0.006","90","","109.698","0.011","90","","9193","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H52 F5 Ge N5 -","- C52 H52 F5 Ge N5 -","- C416 H416 F40 Ge8 N40 -","8","1","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.1306","0.0593","","","0.106","0.1258","","","","","","1.011","","","","has coordinates","250073","2020-10-21","18:00:00",""
"4134382","11.1696","0.0006","18.5499","0.001","22.1637","0.0011","75.451","0.002","77.193","0.002","74.606","0.003","4226","0.4","150","2","150.02","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H51 Ge I N4 -","- C47 H51 Ge I N4 -","- C188 H204 Ge4 I4 N16 -","4","2","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.0744","0.0532","","","0.1","0.1082","","","","","","1.152","","","","has coordinates","250073","2020-10-21","18:00:00",""
"4134383","13.9768","0.0002","14.7308","0.0003","22.7506","0.0004","90","","91.163","0.001","90","","4683.14","0.14","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H58 Ge N4 -","- C53 H58 Ge N4 -","- C212 H232 Ge4 N16 -","4","1","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.0547","0.0347","","","0.0814","0.09","","","","","","1.018","","","","has coordinates,has disorder","250073","2020-10-21","18:00:00",""
"4134385","19.931","0.002","5.9364","0.0007","27.721","0.003","90","","104.107","0.002","90","","3181","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 Br2 N O2 -","- C22 H25 Br2 N O2 -","- C132 H150 Br12 N6 O12 -","6","3","","Lin, Yingfu; Hirschi, William J.; Kunadia, Anuj; Paul, Anirudra; Ghiviriga, Ion; Abboud, Khalil A.; Karugu, Rachael W.; Vetticatt, Mathew J.; Hirschi, Jennifer S.; Seidel, Daniel","A Selenourea-Thiourea Brønsted Acid Catalyst Facilitates Asymmetric Conjugate Additions of Amines to α,β-Unsaturated Esters.","Journal of the American Chemical Society","2020","142","12","5627","5635","10.1021/jacs.9b12457","","","0.71073","MoKα","","0.0609","0.0586","","","0.1215","0.1223","","","","","","1.196","","","","has coordinates","250079","2020-10-21","18:00:00",""
"4134387","22.4784","0.0003","24.2398","0.0003","25.1777","0.0003","90","","90","","90","","13718.6","0.3","140","0.1","140","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C77 H67.5 N2.5 O4 Pr Si4 -","- C77 H67.5 N2.5 O4 Pr Si4 -","- C616 H540 N20 O32 Pr8 Si32 -","8","2","","Willauer, Aurélien R; Palumbo, Chad T.; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Douair, Iskander; Maron, Laurent; Mazzanti, Marinella","Accessing the +IV Oxidation State in Molecular Complexes of Praseodymium.","Journal of the American Chemical Society","2020","142","12","5538","5542","10.1021/jacs.0c01204","","x-ray","0.71073","MoKα","","0.0472","0.0406","","","0.1008","0.1075","","","","","","1.076","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4134388","13.1036","0.0008","14.9076","0.001","22.4578","0.0012","83.344","0.005","81.037","0.005","64.588","0.006","3908.2","0.5","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C84 H84 K O7 Pr Si4 -","- C84 H84 K O7 Pr Si4 -","- C168 H168 K2 O14 Pr2 Si8 -","2","1","","Willauer, Aurélien R; Palumbo, Chad T.; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Douair, Iskander; Maron, Laurent; Mazzanti, Marinella","Accessing the +IV Oxidation State in Molecular Complexes of Praseodymium.","Journal of the American Chemical Society","2020","142","12","5538","5542","10.1021/jacs.0c01204","","x-ray","1.54184","CuKα","","0.1321","0.1108","","","0.2981","0.3102","","","","","","1.133","","","","has coordinates,has disorder","250080","2020-10-21","18:00:00",""
"4134389","25.6668","0.0003","15.04611","0.00014","33.6749","0.0003","90","","95.9196","0.0009","90","","12935.4","0.2","139.99","0.1","139.99","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H198 Cl3 K3 O26 Pr2 Si10 -","- C84 H198 Cl3 K3 O26 Pr2 Si10 -","- C336 H792 Cl12 K12 O104 Pr8 Si40 -","4","0.5","","Willauer, Aurélien R; Palumbo, Chad T.; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Douair, Iskander; Maron, Laurent; Mazzanti, Marinella","Accessing the +IV Oxidation State in Molecular Complexes of Praseodymium.","Journal of the American Chemical Society","2020","142","12","5538","5542","10.1021/jacs.0c01204","","x-ray","1.54184","CuKα","","0.0439","0.0433","","","0.1131","0.1136","","","","","","1.123","","","","has coordinates,has disorder","250080","2020-10-21","18:00:00",""
"4134390","13.6969","0.0003","5.6945","0.0001","22.0831","0.0006","90","","93.3","0.001","90","","1719.56","0.07","163","2","163.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 I N -","- C19 H22 I N -","- C76 H88 I4 N4 -","4","1","","Cong, Xuefeng; Zhan, Gu; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Diastereodivergent [3 + 2] Annulation of Aromatic Aldimines with Alkenes via C-H Activation by Half-Sandwich Rare-Earth Catalysts.","Journal of the American Chemical Society","2020","142","12","5531","5537","10.1021/jacs.0c01171","","","0.71073","MoKα","","0.018","0.0173","","","0.0422","0.0426","","","","","","1.109","","","","has coordinates","250075","2020-10-21","18:00:00",""
"4134391","8.8516","0.0012","9.0513","0.0012","13.0251","0.0018","92.455","0.004","108.753","0.004","115.373","0.004","872.7","0.2","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 I N -","- C19 H22 I N -","- C38 H44 I2 N2 -","2","1","","Cong, Xuefeng; Zhan, Gu; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Diastereodivergent [3 + 2] Annulation of Aromatic Aldimines with Alkenes via C-H Activation by Half-Sandwich Rare-Earth Catalysts.","Journal of the American Chemical Society","2020","142","12","5531","5537","10.1021/jacs.0c01171","","","0.71073","MoKα","","0.0368","0.034","","","0.0909","0.0931","","","","","","1.047","","","","has coordinates","250075","2020-10-21","18:00:00",""
"4134392","35.2184","0.0004","33.427","0.0004","37.3137","0.0004","90","","95.8588","0.001","90","","43697.9","0.9","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C724 H819 B48 Cl8 F192 N97 O110 Pd24 -","- C724 H819 B48 Cl8 F192 N97 O110 Pd24 -","- C1448 H1638 B96 Cl16 F384 N194 O220 Pd48 -","2","0.5","","Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto","A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition.","Journal of the American Chemical Society","2020","142","12","5504","5508","10.1021/jacs.0c00459","","","1.54178","CuKα","","0.2005","0.0905","","","0.2412","0.3146","","","","","","0.979","","","","has coordinates,has disorder","250083","2020-10-21","18:00:00",""
"4134393","10.02","0.002","11.554","0.002","16.035","0.003","74.125","0.003","84.067","0.003","85.833","0.003","1774.1","0.6","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O6 -","- C21 H18 O6 -","- C84 H72 O24 -","4","2","","Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto","A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition.","Journal of the American Chemical Society","2020","142","12","5504","5508","10.1021/jacs.0c00459","","","0.71073","MoKα","","0.1","0.0678","","","0.1853","0.2057","","","","","","1.053","","","","has coordinates","250083","2020-10-21","18:00:00",""
"4134394","40.908","0.011","40.908","0.011","28.479","0.008","90","","90","","90","","47659","2","90","2","90","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C713.58 H804.32 N114.89 O350.35 Pd24 -","- C713.576 H804.32 N114.888 O350.346 Pd23.992 -","- C1427.15 H1608.64 N229.776 O700.693 Pd47.984 -","2","0.125","","Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto","A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition.","Journal of the American Chemical Society","2020","142","12","5504","5508","10.1021/jacs.0c00459","","","0.71073","MoKα","","0.1422","0.0858","","","0.2218","0.2719","","","","","","1.013","","","","has coordinates,has disorder","250083","2020-10-21","18:00:00",""
"4134395","9.2394","0.0013","16.054","0.002","13.4313","0.0018","90","","104.686","0.009","90","","1927.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H36 B N O3 -","- C17 H36 B N O3 -","- C68 H144 B4 N4 O12 -","4","1","","Hari, Durga Prasad; Abell, Joseph C.; Fasano, Valerio; Aggarwal, Varinder K.","Ring-Expansion Induced 1,2-Metalate Rearrangements: Highly Diastereoselective Synthesis of Cyclobutyl Boronic Esters.","Journal of the American Chemical Society","2020","142","12","5515","5520","10.1021/jacs.0c00813","","","0.71073","MoKα","","0.1097","0.0548","","","0.1148","0.1371","","","","","","1.02","","","","has coordinates","250076","2020-10-21","18:00:00",""
"4134396","16.8872","0.0012","9.0985","0.0006","14.5635","0.001","90","","102.237","0.001","90","","2186.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 B Cl0.74 I0.26 N O2 -","- C20 H33 B Cl0.7435 I0.2565 N O2 -","- C80 H132 B4 Cl2.974 I1.026 N4 O8 -","4","1","","Hari, Durga Prasad; Abell, Joseph C.; Fasano, Valerio; Aggarwal, Varinder K.","Ring-Expansion Induced 1,2-Metalate Rearrangements: Highly Diastereoselective Synthesis of Cyclobutyl Boronic Esters.","Journal of the American Chemical Society","2020","142","12","5515","5520","10.1021/jacs.0c00813","","","0.71073","MoKα","","0.0556","0.0366","","","0.0828","0.0902","","","","","","1.028","","","","has coordinates,has disorder","250076","2020-10-21","18:00:00",""
"4134397","7.4511","0.001","12.8249","0.001","18.6937","0.001","90","","94.11","0.01","90","","1781.8","0.3","100.02","0.1","100.02","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl Rh -","- C20 H26 Cl Rh -","- C80 H104 Cl4 Rh4 -","4","1","","Harris, Robert J.; Park, Jiyong; Nelson, Taylor A. F.; Iqbal, Nafees; Salgueiro, Daniel C.; Bacsa, John; MacBeth, Cora E.; Baik, Mu-Hyun; Blakey, Simon B.","The Mechanism of Rhodium-Catalyzed Allylic C-H Amination.","Journal of the American Chemical Society","2020","142","12","5842","5851","10.1021/jacs.0c01069","","x-ray","0.71073","MoKα","","0.0221","0.0201","","","0.0477","0.0482","","","","","","1.197","","","","has coordinates","250078","2020-10-21","18:00:00",""
"4134398","9.0845","0.00013","26.7256","0.0004","10.28003","0.00015","90","","94.911","0.0013","90","","2486.71","0.06","102","4","102","4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 N O2 Rh S -","- C27 H34 N O2 Rh S -","- C108 H136 N4 O8 Rh4 S4 -","4","1","","Harris, Robert J.; Park, Jiyong; Nelson, Taylor A. F.; Iqbal, Nafees; Salgueiro, Daniel C.; Bacsa, John; MacBeth, Cora E.; Baik, Mu-Hyun; Blakey, Simon B.","The Mechanism of Rhodium-Catalyzed Allylic C-H Amination.","Journal of the American Chemical Society","2020","142","12","5842","5851","10.1021/jacs.0c01069","","x-ray","0.71073","MoKα","","0.0334","0.0269","","","0.0666","0.0689","","","","","","1.035","","","","has coordinates","250078","2020-10-21","18:00:00",""
"4134399","7.2611","0.0002","14.6975","0.0003","18.0948","0.0005","90","","95.564","0.002","90","","1921.98","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 O2 Rh -","- C22 H29 O2 Rh -","- C88 H116 O8 Rh4 -","4","1","","Harris, Robert J.; Park, Jiyong; Nelson, Taylor A. F.; Iqbal, Nafees; Salgueiro, Daniel C.; Bacsa, John; MacBeth, Cora E.; Baik, Mu-Hyun; Blakey, Simon B.","The Mechanism of Rhodium-Catalyzed Allylic C-H Amination.","Journal of the American Chemical Society","2020","142","12","5842","5851","10.1021/jacs.0c01069","","x-ray","0.71073","MoKα","","0.0371","0.028","","","0.0624","0.0649","","","","","","1.049","","","","has coordinates","250078","2020-10-21","18:00:00",""
"4134410","23.5179","0.0018","41.767","0.004","43.084","0.004","84.628","0.005","89.02","0.005","79.679","0.005","41453","6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C166 H164 N24 O24 Se8 -","- C166 H163.75 N24 O24 Se8 -","- C1328 H1310 N192 O192 Se64 -","8","4","","Rahman, Faiz-Ur; Tzeli, Demeter; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula; Ballester, Pablo; Rebek, Jr, Julius; Yu, Yang","Chalcogen Bonding and Hydrophobic Effects Force Molecules into Small Spaces.","Journal of the American Chemical Society","2020","142","12","5876","5883","10.1021/jacs.0c01290","","","1.34139","GaKα","","0.2449","0.1521","","","0.357","0.4054","","","","","","1.002","","","","has coordinates,has disorder","250086","2020-10-21","18:00:00",""
"4134411","10.5324","0.0003","10.3157","0.0003","18.7208","0.0005","90","","90","","90","","2034","0.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C96 H136 N8 O16 -","8","1","","Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok","Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp<sup>3</sup>)-H Amidation.","Journal of the American Chemical Society","2020","142","12","5811","5818","10.1021/jacs.0c00868","","","0.71073","MoKα","","0.0607","0.0538","","","0.1271","0.1321","","","","","","1.111","","","","has coordinates","250074","2020-10-21","18:00:00",""
"4134412","60.281","0.012","4.917","0.001","14.155","0.003","90","","93.84","0.03","90","","4186.1","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 F6 N O4 -","- C24 H15 F6 N O4 -","- C192 H120 F48 N8 O32 -","8","1","","Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok","Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp<sup>3</sup>)-H Amidation.","Journal of the American Chemical Society","2020","142","12","5811","5818","10.1021/jacs.0c00868","","","0.7","synchrotron","","0.0782","0.0688","","","0.2008","0.2105","","","","","","1.113","","","","has coordinates","250074","2020-10-21","18:00:00",""
"4134413","7.0148","0.0012","11.8848","0.0018","12.981","0.002","90","","90.395","0.005","90","","1082.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N O2 -","- C11 H17 N O2 -","- C44 H68 N4 O8 -","4","2","","Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok","Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp<sup>3</sup>)-H Amidation.","Journal of the American Chemical Society","2020","142","12","5811","5818","10.1021/jacs.0c00868","","","0.71073","MoKα","","0.0722","0.052","","","0.1095","0.1182","","","","","","1.043","","","","has coordinates","250074","2020-10-21","18:00:00",""
"4134419","11.5551","0.0019","12.353","0.003","13.32","0.003","85.773","0.016","69.85","0.01","81.738","0.013","1765.8","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H50 B F6 N3 -","- C37 H50 B F6 N3 -","- C74 H100 B2 F12 N6 -","2","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.0591","0.0393","","","0.0903","0.0983","","","","","","1.028","","","","has coordinates","250077","2020-10-21","18:00:00",""
"4134420","12.566","0.003","8.2909","0.0008","20.179","0.004","90","","104.595","0.016","90","","2034.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 B Br2 F6 N2 -","- C17 H19 B Br2 F6 N2 -","- C68 H76 B4 Br8 F24 N8 -","4","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.0206","0.0179","","","0.0436","0.0446","","","","","","1.025","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134421","24.208","0.009","16.72","0.008","20.187","0.007","90","","130.261","0.007","90","","6235","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 B F6 N O2 -","- C34 H38 B F6 N O2 -","- C272 H304 B8 F48 N8 O16 -","8","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.093","0.061","","","0.1459","0.1663","","","","","","1.027","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134422","8.849","0.003","10.927","0.004","10.94","0.004","114.541","0.018","102.1","0.03","97.48","0.03","912.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 B2 F12 N4 -","- C34 H38 B2 F12 N4 -","- C34 H38 B2 F12 N4 -","1","0.5","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.1323","0.0795","","","0.1767","0.2092","","","","","","1.034","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134423","10.477","0.007","11.414","0.008","21.469","0.018","75.85","0.015","85.729","0.008","72.776","0.019","2378","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 B2 Br2 F12 N4 -","- C46 H50 B2 Br2 F12 N4 -","- C92 H100 B4 Br4 F24 N8 -","2","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.1041","0.0518","","","0.096","0.1131","","","","","","1.014","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134424","8.465","0.0019","11.3157","0.0018","23.879","0.005","90","","90","","90","","2287.3","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 B F6 N2 O2 -","- C23 H23 B F6 N2 O2 -","- C92 H92 B4 F24 N8 O8 -","4","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.0302","0.0257","","","0.0638","0.0651","","","","","","1.034","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134425","15.8864","0.0006","9.1579","0.0003","42.8822","0.0016","90","","99.783","0.001","90","","6148","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H37 B Cl2 F6 N -","- C31 H37 B Cl2 F6 N -","- C248 H296 B8 Cl16 F48 N8 -","8","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.0671","0.035","","","0.0807","0.0878","","","","","","1.054","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134426","20.475","0.002","7.6092","0.0008","12.4167","0.0013","90","","124.988","0.002","90","","1584.9","0.3","130","","130","","","","","","","","Leonidas Dimitrios Syntrivanis","4","C 1 2 1","C 2y","5","","","","- C16 H25 N3 O -","- C16 H25 N3 O -","- C64 H100 N12 O4 -","4","1","","Syntrivanis, Leonidas-Dimitrios; Némethová, Ivana; Schmid, Dario; Levi, Shani; Prescimone, Alessandro; Bissegger, Fabian; Major, Dan T.; Tiefenbacher, Konrad","Four-Step Access to the Sesquiterpene Natural Product Presilphiperfolan-1β-ol and Unnatural Derivatives via Supramolecular Catalysis.","Journal of the American Chemical Society","2020","142","12","5894","5900","10.1021/jacs.0c01464","","x-ray","1.54178","CuKα","","0.028","0.028","","","0.0739","0.074","","","","","","1.057","","","","has coordinates","250082","2020-10-21","18:00:00",""
"4134427","16.2888","0.0011","16.2888","0.0011","20.502","0.0015","90","","90","","90","","5439.7","0.7","130","","130","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C15 H26 O -","- C15 H26 O -","- C240 H416 O16 -","16","2","","Syntrivanis, Leonidas-Dimitrios; Némethová, Ivana; Schmid, Dario; Levi, Shani; Prescimone, Alessandro; Bissegger, Fabian; Major, Dan T.; Tiefenbacher, Konrad","Four-Step Access to the Sesquiterpene Natural Product Presilphiperfolan-1β-ol and Unnatural Derivatives via Supramolecular Catalysis.","Journal of the American Chemical Society","2020","142","12","5894","5900","10.1021/jacs.0c01464","","x-ray","1.54178","CuKα","","0.0553","0.0538","","","0.1403","0.1419","","","","","","1.064","","","","has coordinates,has disorder","250082","2020-10-21","18:00:00",""
"4134428","13.065","0.0004","29.3865","0.0009","11.9523","0.0004","90","","90","","90","","4588.9","0.3","120","2","120","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C84 H80 F24 Fe2 N20 P4 -","- C84 H80 F24 Fe2 N20 P4 -","- C168 H160 F48 Fe4 N40 P8 -","2","0.5","","Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia","Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.","Journal of the American Chemical Society","2020","142","12","5819","5824","10.1021/jacs.0c00896","","","1.54178","CuKα","","0.069","0.0652","","","0.1489","0.1511","","","","","","1.081","","","","has coordinates","250084","2020-10-21","18:00:00",""
"4134429","21.0032","0.0007","16.044","0.0005","21.1775","0.0007","90","","111.551","0.001","90","","6637.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H54 Cl8 Cu2 N8 O12 -","- C66 H54 Cl8 Cu2 N8 O12 -","- C264 H216 Cl32 Cu8 N32 O48 -","4","1","","Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia","Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.","Journal of the American Chemical Society","2020","142","12","5819","5824","10.1021/jacs.0c00896","","","0.71073","MoKα","","0.0801","0.0586","","","0.1474","0.1639","","","","","","1.059","","","","has coordinates,has disorder","250084","2020-10-21","18:00:00",""
"4134430","24.5777","0.0008","25.8125","0.0008","35.2575","0.0011","90","","107.858","0.002","90","","21290.1","1.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C258 H226 B4 Cu4 N16 O8 -","- C258 H226 B4 Cu4 N16 O8 -","- C1032 H904 B16 Cu16 N64 O32 -","4","0.5","","Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia","Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.","Journal of the American Chemical Society","2020","142","12","5819","5824","10.1021/jacs.0c00896","","","1.54178","CuKα","","0.0973","0.081","","","0.21","0.2241","","","","","","1.027","","","","has coordinates,has disorder","250084","2020-10-21","18:00:00",""
"4134431","20.5323","0.0006","20.5323","0.0006","41.7019","0.0017","90","","90","","90","","17580.5","1","120","2","120","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C144 H108 B6 F24 N28 Zn4 -","- C144 H108 B6 F24 N28 Zn4 -","- C576 H432 B24 F96 N112 Zn16 -","4","0.25","","Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia","Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.","Journal of the American Chemical Society","2020","142","12","5819","5824","10.1021/jacs.0c00896","","","1.54178","CuKα","","0.0708","0.069","","","0.2097","0.2122","","","","","","1.054","","","","has coordinates","250084","2020-10-21","18:00:00",""
"4134432","9.5366","0.0007","5.7321","0.0004","14.9406","0.0013","90","","91.557","0.003","90","","816.42","0.11","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C34 H42 N2 O6 S2 -","2","1","","Uwamori, Masahiro; Osada, Ryunosuke; Sugiyama, Ryoji; Nagatani, Kotaro; Nakada, Masahisa","Enantioselective Total Synthesis of Cotylenin A.","Journal of the American Chemical Society","2020","142","12","5556","5561","10.1021/jacs.0c01774","","","0.71075","MoKα","","","0.038","","","","0.0949","","","","","","1.104","","","","has coordinates","250085","2020-10-21","18:00:00",""
"4134433","13.025","0.002","17.695","0.003","17.75","0.003","90","","99.93","0.003","90","","4029.7","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Au N3 O -","- C40 H56 Au N3 O -","- C160 H224 Au4 N12 O4 -","4","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0259","0.0189","","","0.0457","0.0478","","","","","","1.041","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134434","10.1743","0.0014","17.827","0.003","18.078","0.003","90","","90.286","0.002","90","","3278.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Au N2 O2 -","- C36 H45 Au N2 O2 -","- C144 H180 Au4 N8 O8 -","4","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0297","0.0275","","","0.0732","0.075","","","","","","1.037","","","","has coordinates,has disorder","250054","2020-10-21","18:00:00",""
"4134435","11.072","0.003","15.898","0.004","24.215","0.006","90.721","0.004","94.132","0.004","102.353","0.004","4151.2","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 Au N3 O -","- C48 H54 Au N3 O -","- C192 H216 Au4 N12 O4 -","4","2","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0828","0.0687","","","0.188","0.1955","","","","","","1.035","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134436","16.597","0.003","14.75","0.002","18.101","0.003","90","","100.144","0.003","90","","4362","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H60 Au N3 O -","- C44 H60 Au N3 O -","- C176 H240 Au4 N12 O4 -","4","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0354","0.0229","","","0.0483","0.0511","","","","","","1.008","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134437","11.018","0.007","14.238","0.009","14.308","0.009","113.992","0.008","98.581","0.011","95.042","0.009","2000","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H52 Au N3 O2 -","- C48 H52 Au N3 O2 -","- C96 H104 Au2 N6 O4 -","2","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.1285","0.0967","","","0.2614","0.2894","","","","","","1.019","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134438","11.38","0.002","14.959","0.003","15.152","0.003","98.414","0.003","102.154","0.003","101.174","0.003","2426.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 Au N3 O2 -","- C48 H54 Au N3 O2 -","- C96 H108 Au2 N6 O4 -","2","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0173","0.0162","","","0.0408","0.0412","","","","","","1.009","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134439","11.264","0.0016","23.609","0.003","13.2861","0.0019","90","","99.42","0.002","90","","3485.6","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H52 Au N3 O -","- C37 H52 Au N3 O -","- C148 H208 Au4 N12 O4 -","4","0.5","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0387","0.0322","","","0.0778","0.0811","","","","","","1.065","","","","has coordinates,has disorder","250054","2020-10-21","18:00:00",""
"4134440","10.233","0.003","17.846","0.004","17.766","0.004","90","","93.463","0.004","90","","3238.5","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 Au N2 O -","- C36 H47 Au N2 O -","- C144 H188 Au4 N8 O4 -","4","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.027","0.0256","","","0.0711","0.0719","","","","","","1.049","","","","has coordinates,has disorder","250054","2020-10-21","18:00:00",""
"4134441","7.78","0.0001","8.1061","0.0001","29.6389","0.0005","90","","90","","90","","1869.19","0.05","173","2","172.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N6 O10 -","- C14 H24 N6 O10 -","- C56 H96 N24 O40 -","4","1","","Wang, Fei; Zhang, Wen-He; Zhao, Juan; Kang, Wen-Jia; Wang, Shengyang; Yu, Biao; Pan, Hai-Xue; Tang, Gong-Li","Characterization of Miharamycin Biosynthesis Reveals a Hybrid NRPS-PKS to Synthesize High-Carbon Sugar from a Complex Nucleoside.","Journal of the American Chemical Society","2020","142","13","5996","6000","10.1021/jacs.0c01778","","","1.34139","GaKα","","0.0288","0.0283","","","0.0747","0.0752","","","","","","1.063","","","","has coordinates","250057","2020-10-21","18:00:00",""
"4134442","26.798","0.0009","12.5063","0.0004","25.5113","0.0009","90","","119.089","0.001","90","","7471.5","0.4","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C71 H88 Cl N O12 -","- C71 H88 Cl N O12 -","- C284 H352 Cl4 N4 O48 -","4","0.5","","Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe","Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes.","Journal of the American Chemical Society","2020","142","13","6360","6364","10.1021/jacs.0c01274","","","1.34139","GaKα","","0.125","0.1166","","","0.2949","0.2995","","","","","","0.983","","","","has coordinates,has disorder","250059","2020-10-21","18:00:00",""
"4134443","26.5236","0.0008","12.5602","0.0004","25.6641","0.0011","90","","119.075","0.001","90","","7472.4","0.5","173.01","","173.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H92 Cl2 N2 O12 -","- C76 H92 Cl2 N2 O12 -","- C304 H368 Cl8 N8 O48 -","4","0.5","","Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe","Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes.","Journal of the American Chemical Society","2020","142","13","6360","6364","10.1021/jacs.0c01274","","","1.54178","CuKα","","0.1035","0.0935","","","0.2842","0.2947","","","","","","1.064","","","","has coordinates,has disorder","250059","2020-10-21","18:00:00",""
"4134444","13.847","0.001","23.25","0.002","25.631","0.002","80.16","0.003","90.001","0.001","90.001","0.001","8130.3","1.1","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C299 H316 Br48 Cl7 N7 O49 -","- C299 H316 Br48 Cl7 N7 O49 -","- C299 H316 Br48 Cl7 N7 O49 -","1","0.5","","Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe","Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes.","Journal of the American Chemical Society","2020","142","13","6360","6364","10.1021/jacs.0c01274","","","0.71073","MoKα","","0.1437","0.0974","","","0.2912","0.3231","","","","","","1.098","","","","has coordinates,has disorder","250059","2020-10-21","18:00:00",""
"4134445","13.3514","0.0003","13.3868","0.0003","13.8133","0.0003","117.91","0.001","100.421","0.001","94.45","0.001","2108","0.08","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H76 Br12 Cl N O12 -","- C71 H76 Br12 Cl N O12 -","- C71 H76 Br12 Cl N O12 -","1","0.5","","Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe","Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes.","Journal of the American Chemical Society","2020","142","13","6360","6364","10.1021/jacs.0c01274","","","1.34139","GaKα","","0.1226","0.1186","","","0.302","0.3048","","","","","","1.072","","","","has coordinates,has disorder","250059","2020-10-21","18:00:00",""
"4134447","12.3452","0.0004","12.739","0.0004","18.1766","0.0005","85.899","0.002","89.229","0.002","63.881","0.003","2559.55","0.15","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H60 Li O2 P3 Ru -","- C62 H60 Li O2 P3 Ru -","- C124 H120 Li2 O4 P6 Ru2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","1.54184","CuKα","","0.0483","0.04","","","0.096","0.1005","","","","","","1.015","","","","has coordinates","250052","2020-10-21","18:00:00",""
"4134448","14.8201","0.0003","16.2071","0.0004","17.1082","0.0003","94.116","0.002","93.148","0.002","112.751","0.002","3764.44","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H94 Li O8 P3 Ru -","- C88 H94 Li O8 P3 Ru -","- C176 H188 Li2 O16 P6 Ru2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","","0.71073","MoKα","","0.0644","0.0427","","","0.0886","0.0982","","","","","","1.024","","","","has coordinates","250052","2020-10-21","18:00:00",""
"4134449","41.0356","0.0005","13.7554","0.0002","19.4148","0.0002","90","","99.045","0.001","90","","10822.6","0.2","200","0.1","200","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H63 Mg O2 P3 Ru -","- C63 H63 Mg O2 P3 Ru -","- C504 H504 Mg8 O16 P24 Ru8 -","8","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","1.54184","CuKα","","0.0414","0.0316","","","0.0715","0.0756","","","","","","1.025","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134450","12.3478","0.0003","12.6936","0.0003","20.7422","0.0004","78.102","0.002","81.745","0.002","64.053","0.002","2855.31","0.12","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C67 H71 O3 P3 Ru Zn -","- C67 H71 O3 P3 Ru Zn -","- C134 H142 O6 P6 Ru2 Zn2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","1.54184","CuKα","","0.0305","0.0275","","","0.0682","0.0705","","","","","","1.036","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134451","12.3741","0.0004","12.7084","0.0004","20.744","0.0006","78.007","0.003","81.63","0.003","63.847","0.003","2858.8","0.17","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66.65 H69.95 Cl0.35 O3 P3 Ru Zn -","- C66.65 H69.95 Cl0.35 O3 P3 Ru Zn -","- C133.3 H139.9 Cl0.7 O6 P6 Ru2 Zn2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","0.71073","MoKα","","0.0525","0.0369","","","0.0734","0.0796","","","","","","1.041","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134452","11.2221","0.0003","13.0503","0.0004","16.6725","0.0005","85.312","0.003","73.891","0.003","72.861","0.003","2241.67","0.12","150","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C55 H47 P3 Ru Zn -","- C55 H47 P3 Ru Zn -","- C110 H94 P6 Ru2 Zn2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","0.71073","MoKα","","0.0456","0.033","","","0.0676","0.0727","","","","","","1.025","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134453","13.4442","0.0004","17.6572","0.0005","18.2564","0.0005","90.385","0.002","99.08","0.003","104.878","0.002","4131","0.2","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C88 H62 B F24 P3 Ru Zn2 -","- C88 H62 B F24 P3 Ru Zn2 -","- C176 H124 B2 F48 P6 Ru2 Zn4 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","0.71073","MoKα","","0.0627","0.0395","","","0.0837","0.0947","","","","","","1.025","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134454","8.612","0.003","14.566","0.006","15.189","0.005","90","","90","","90","","1905.3","1.2","103","2","103","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C18 H11 F10 N2 O0.5 Pd -","- C18 H11 F10 N2 O0.5 Pd -","- C72 H44 F40 N8 O2 Pd4 -","4","0.5","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","","0.71073","MoKα","","0.044","0.031","","","0.0734","0.0794","","","","","","1.074","","","","has coordinates,has disorder","250055","2020-10-21","18:00:00",""
"4134455","40.0791","0.0008","13.0995","0.0003","3.698","0.0001","90","","90","","90","","1941.51","0.08","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C12 H4 F6 -","- C12 H4 F6 -","- C96 H32 F48 -","8","0.5","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","x-ray","1.54184","CuKα","","0.0321","0.0317","","","0.0808","0.0813","","","","","","1.056","","","","has coordinates","250055","2020-10-21","18:00:00",""
"4134456","9.1923","0.0003","8.9775","0.0002","9.5988","0.0003","90","","90.225","0.003","90","","792.12","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 F4 N2 Pd -","- C16 H12 F4 N2 Pd -","- C32 H24 F8 N4 Pd2 -","2","1","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","x-ray","0.71073","MoKα","","0.0307","0.0266","","","0.0574","0.0588","","","","","","1.044","","","","has coordinates","250055","2020-10-21","18:00:00",""
"4134457","10.994","0.003","8.897","0.004","20.967","0.003","90","","90","","90","","2050.9","1.1","103","2","103","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H2 F8 -","- C12 H2 F8 -","- C96 H16 F64 -","8","1","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","","0.71073","MoKα","","0.037","0.0319","","","0.0861","0.09","","","","","","1.041","","","","has coordinates","250055","2020-10-21","18:00:00",""
"4134458","9.55","0.0015","17.778","0.005","19.108","0.003","90","","90.415","0.007","90","","3244.1","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 F6 N2 Pd -","- C16 H10 F6 N2 Pd -","- C128 H80 F48 N16 Pd8 -","8","2","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","","0.71073","MoKα","","0.0392","0.0294","","","0.0718","0.077","","","","","","1.063","","","","has coordinates","250055","2020-10-21","18:00:00",""
"4134460","7.2242","0.0003","8.8678","0.0004","15.7698","0.0007","90","","90","","90","","1010.26","0.08","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Cl3 F N Zn -","- C4 H11 Cl3 F N Zn -","- C16 H44 Cl12 F4 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0421","0.0397","","","0.0999","0.1013","","","","","","1.001","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134461","7.1947","0.0002","8.718","0.0002","15.6452","0.0005","90","","90","","90","","981.32","0.05","93","2","93","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Cl3 F N Zn -","- C4 H11 Cl3 F N Zn -","- C16 H44 Cl12 F4 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0243","0.0241","","","0.0626","0.0627","","","","","","1.001","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134462","7.1748","0.0004","9.1116","0.0005","17.2922","0.001","90","","90","","90","","1130.46","0.11","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Br Cl3 N Zn -","- C4 H11 Br Cl3 N Zn -","- C16 H44 Br4 Cl12 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0712","0.0611","","","0.1633","0.1693","","","","","","1.043","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134463","7.174","0.0003","9.1468","0.0004","17.7179","0.0006","90","","90","","90","","1162.63","0.08","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Cl3 I N Zn -","- C4 H11 Cl3 I N Zn -","- C16 H44 Cl12 I4 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0548","0.0512","","","0.1217","0.1234","","","","","","1.174","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134464","28.8906","0.001","7.1178","0.0002","10.2641","0.0003","90","","90","","90","","2110.68","0.11","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H22 Cl8 N2 Zn2 -","- C8 H22 Cl8 N2 Zn2 -","- C32 H88 Cl32 N8 Zn8 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0207","0.0198","","","0.0522","0.0525","","","","","","1","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134465","7.1698","0.0003","14.6397","0.0005","10.3561","0.0004","90","","90","","90","","1087.01","0.07","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C4 H11 Cl4 N Zn -","- C4 H11 Cl4 N Zn -","- C16 H44 Cl16 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0498","0.0475","","","0.1322","0.1341","","","","","","1.001","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134466","7.2453","0.0003","8.8632","0.0004","15.4226","0.0008","90","","90","","90","","990.39","0.08","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C4 H12 Cl3 N Zn -","- C4 H12 Cl3 N Zn -","- C16 H48 Cl12 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0338","0.0333","","","0.0839","0.0842","","","","","","1.058","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134467","6.2036","0.0009","8.1137","0.0011","15.041","0.003","90","","96.162","0.01","90","","752.7","0.2","100","2","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O -","- C19 H21 N O -","- C38 H42 N2 O2 -","2","1","","Xu, Bin; Troian-Gautier, Ludovic; Dykstra, Ryan; Martin, Robert T.; Gutierrez, Osvaldo; Tambar, Uttam K.","Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes.","Journal of the American Chemical Society","2020","142","13","6206","6215","10.1021/jacs.0c00147","","","0.71073","MoKα","","0.0594","0.0415","","","0.0915","0.0978","","","","","","1.037","","","","has coordinates","250058","2020-10-21","18:00:00",""
"4134468","8.353","0.0004","5.8263","0.0002","10.678","0.0004","90","","109.178","0.005","90","","490.83","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Cl S -","- C11 H9 Cl S -","- C22 H18 Cl2 S2 -","2","1","","Xu, Bin; Troian-Gautier, Ludovic; Dykstra, Ryan; Martin, Robert T.; Gutierrez, Osvaldo; Tambar, Uttam K.","Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes.","Journal of the American Chemical Society","2020","142","13","6206","6215","10.1021/jacs.0c00147","","","0.71073","MoKα","","0.0489","0.0471","","","0.1216","0.1237","","","","","","1.082","","","","has coordinates","250058","2020-10-21","18:00:00",""
"4134469","23.636","0.005","7.7229","0.0016","6.3397","0.0011","90","","94.829","0.011","90","","1153.1","0.4","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C15 H13 Cl -","- C15 H13 Cl -","- C60 H52 Cl4 -","4","1","","Xu, Bin; Troian-Gautier, Ludovic; Dykstra, Ryan; Martin, Robert T.; Gutierrez, Osvaldo; Tambar, Uttam K.","Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes.","Journal of the American Chemical Society","2020","142","13","6206","6215","10.1021/jacs.0c00147","","","0.71073","MoKα","","0.0564","0.0424","","","0.0864","0.0888","","","","","","1.01","","","","has coordinates","250058","2020-10-21","18:00:00",""
"4134470","7.9411","0.0003","11.3394","0.0005","6.033","0.0003","90","","90","","90","","543.26","0.04","307","2","307","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0507","0.0428","","","0.095","0.0999","","","","","","1.21","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134471","7.9344","0.0003","11.3381","0.0004","6.0281","0.0002","90","","90","","90","","542.29","0.03","280","2","280","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0525","0.0418","","","0.0896","0.095","","","","","","1.14","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4134472","7.9296","0.0003","11.3383","0.0004","6.0243","0.0003","90","","90","","90","","541.63","0.04","260","2","260","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0459","0.0351","","","0.0839","0.0904","","","","","","1.002","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134473","7.9292","0.0002","11.3401","0.0004","6.0235","0.0002","90","","90","","90","","541.62","0.03","252","2","252","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0409","0.0321","","","0.0713","0.076","","","","","","1.089","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134474","6.0598","0.0004","7.8788","0.0005","11.2274","0.0007","90","","92.234","0.002","90","","535.63","0.06","238","2","238","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.1055","0.0947","","","0.2063","0.2118","","","","","","1.246","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134475","6.0581","0.0004","7.8735","0.0005","11.2215","0.0007","90","","92.254","0.003","90","","534.83","0.06","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.1006","0.0886","","","0.1993","0.205","","","","","","1.249","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134476","6.0577","0.0004","7.8714","0.0005","11.2223","0.0007","90","","92.255","0.002","90","","534.69","0.06","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.1077","0.097","","","0.207","0.212","","","","","","1.289","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4134477","7.9345","0.0009","11.0298","0.0013","5.9653","0.0008","90","","90","","90","","522.06","0.11","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H6.45 K0.39 N1.61 O3 P -","- F H6.268 K0.433 N1.567 O3 P -","- F4 H25.072 K1.732 N6.268 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0518","0.0463","","","0.0979","0.1002","","","","","","1.139","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134478","7.9362","0.0009","11.2076","0.0011","6.0017","0.0007","90","","90","","90","","533.83","0.1","303","2","303","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F0.8 H6.4 K0.13 N1.47 O2.4 P0.8 -","- F0.8 H6.4 K0.128 N1.472 O2.4 P0.8 -","- F4 H32 K0.64 N7.36 O12 P4 -","5","1.25","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0425","0.0345","","","0.1044","0.1142","","","","","","0.903","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134479","7.9368","0.0004","11.2965","0.0006","6.0229","0.0003","90","","90","","90","","540","0.05","306","2","306","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.04 N1.96 O3 P -","- F H8 K0.034 N1.966 O3 P -","- F4 H32 K0.136 N7.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0442","0.0405","","","0.0941","0.0957","","","","","","1.157","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134480","7.9319","0.0003","11.295","0.0004","6.019","0.0002","90","","90","","90","","539.25","0.03","280","2","280","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.01 N2 O3 P -","- F H8 K0.032 N1.968 O3 P -","- F4 H32 K0.128 N7.872 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0445","0.0414","","","0.0925","0.0938","","","","","","1.162","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134481","7.9299","0.0003","11.2968","0.0004","6.0169","0.0002","90","","90","","90","","539.01","0.03","260","2","260","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F0.8 H6.4 K0.03 N1.57 O2.4 P0.8 -","- F0.8 H6.4 K0.0304 N1.5696 O2.4 P0.8 -","- F4 H32 K0.152 N7.848 O12 P4 -","5","1.25","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0462","0.0416","","","0.1119","0.1172","","","","","","0.975","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134482","7.9285","0.0003","11.3009","0.0004","6.0152","0.0002","90","","90","","90","","538.96","0.03","240","2","240","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.02 N1.98 O3 P -","- F H8 K0.034 N1.966 O3 P -","- F4 H32 K0.136 N7.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0443","0.0396","","","0.1074","0.1123","","","","","","0.938","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134483","6.041","0.0002","7.874","0.0003","11.1841","0.0004","90","","92.26","0.001","90","","531.58","0.03","230","2","230","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.04 N1.96 O3 P -","- F H8 K0.042 N1.958 O3 P -","- F4 H32 K0.168 N7.832 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0551","0.05","","","0.1422","0.1464","","","","","","1.216","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134484","6.0404","0.0002","7.8708","0.0002","11.1807","0.0003","90","","92.268","0.001","90","","531.15","0.03","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.06 N1.94 O3 P -","- F H8 K0.039 N1.961 O3 P -","- F4 H32 K0.156 N7.844 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0445","0.0396","","","0.0896","0.092","","","","","","1.164","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134485","6.0398","0.0002","7.8673","0.0003","11.1779","0.0004","90","","92.279","0.001","90","","530.72","0.03","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.05 N1.94 O3 P -","- F H8 K0.055 N1.945 O3 P -","- F4 H32 K0.22 N7.78 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0487","0.0426","","","0.1234","0.1292","","","","","","1.088","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134486","6.0398","0.0002","7.8659","0.0003","11.1767","0.0004","90","","92.289","0.001","90","","530.56","0.03","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.05 N1.95 O3 P -","- F H8 K0.034 N1.966 O3 P -","- F4 H32 K0.136 N7.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0516","0.048","","","0.1049","0.1063","","","","","","1.189","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134487","6.0395","0.0002","7.8631","0.0003","11.1748","0.0005","90","","92.309","0.001","90","","530.25","0.04","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.06 N1.94 O3 P -","- F H8 K0.039 N1.961 O3 P -","- F4 H32 K0.156 N7.844 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0493","0.0455","","","0.1008","0.1026","","","","","","1.187","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134488","7.9297","0.0011","11.1111","0.0019","5.982","0.001","90","","90","","90","","527.06","0.15","304","2","304","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.29 N1.71 O3 P -","- F H8 K0.284 N1.716 O3 P -","- F4 H32 K1.136 N6.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0707","0.0601","","","0.1225","0.1267","","","","","","1.155","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134489","7.9247","0.0003","11.1134","0.0004","5.9812","0.0003","90","","90","","90","","526.77","0.04","260","2","260","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.28 N1.72 O3 P -","- F H8 K0.263 N1.737 O3 P -","- F4 H32 K1.052 N6.948 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0661","0.0572","","","0.1063","0.1091","","","","","","1.115","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134490","7.9171","0.0003","11.109","0.0005","5.9766","0.0003","90","","90","","90","","525.65","0.04","220","2","220","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.3 N1.71 O3 P -","- F H8 K0.291 N1.709 O3 P -","- F4 H32 K1.164 N6.836 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0686","0.0551","","","0.1164","0.122","","","","","","1.113","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134491","7.9076","0.0003","11.0973","0.0005","5.9692","0.0003","90","","90","","90","","523.82","0.04","190","2","190","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.28 N1.72 O3 P -","- F H8 K0.28 N1.72 O3 P -","- F4 H32 K1.12 N6.88 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0725","0.0622","","","0.1256","0.1298","","","","","","1.146","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134492","7.9057","0.0003","11.0964","0.0004","5.9676","0.0002","90","","90","","90","","523.51","0.03","170","2","170","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H6.89 K0.28 N1.72 O3 P -","- F H6.892 K0.277 N1.723 O3 P -","- F4 H27.568 K1.108 N6.892 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0733","0.0612","","","0.1123","0.1166","","","","","","1.151","","","","has coordinates,has disorder","250063","2020-10-21","18:00:00",""
"4134493","7.9048","0.0003","11.0997","0.0005","5.9682","0.0002","90","","90","","90","","523.66","0.04","140","2","140","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H6.86 K0.28 N1.72 O3 P -","- F H6.864 K0.284 N1.716 O3 P -","- F4 H27.456 K1.136 N6.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0724","0.0604","","","0.1106","0.1148","","","","","","1.119","","","","has coordinates,has disorder","250063","2020-10-21","18:00:00",""
"4134494","5.9813","0.0002","7.8672","0.0002","10.9965","0.0004","90","","91.916","0.002","90","","517.16","0.03","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.27 N1.73 O3 P -","- F H8 K0.272 N1.728 O3 P -","- F4 H32 K1.088 N6.912 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0908","0.0755","","","0.1886","0.1959","","","","","","1.432","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134495","5.9756","0.0003","7.862","0.0003","10.9873","0.0005","90","","91.939","0.002","90","","515.89","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.27 N1.73 O3 P -","- F H8 K0.267 N1.733 O3 P -","- F4 H32 K1.068 N6.932 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0941","0.0801","","","0.1509","0.1564","","","","","","1.223","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134496","5.9761","0.0003","7.8611","0.0003","10.987","0.0005","90","","91.941","0.002","90","","515.86","0.04","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.27 N1.73 O3 P -","- F H8 K0.266 N1.734 O3 P -","- F4 H32 K1.064 N6.936 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0904","0.0779","","","0.1429","0.1472","","","","","","1.213","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134497","7.9303","0.0004","10.8767","0.0007","5.933","0.0003","90","","90","","90","","511.75","0.05","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H5.27 K0.68 N1.32 O3 P -","- F H5.272 K0.682 N1.318 O3 P -","- F4 H21.088 K2.728 N5.272 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0843","0.0768","","","0.1381","0.141","","","","","","1.26","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134498","7.9395","0.0013","11.3139","0.0019","6.0289","0.0009","90","","90","","90","","541.56","0.15","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.03 N1.97 O3 P -","- F H8 K0.03 N1.97 O3 P -","- F4 H32 K0.12 N7.88 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0555","0.05","","","0.1312","0.1351","","","","","","0.99","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134499","7.9325","0.0002","11.313","0.0003","6.0242","0.0002","90","","90","","90","","540.61","0.03","280","2","280","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.01 N1.99 O3 P -","- F H8 K0.02 N1.98 O3 P -","- F4 H32 K0.08 N7.92 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0391","0.0349","","","0.0825","0.0843","","","","","","1.124","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134500","7.9299","0.0002","11.3151","0.0003","6.0217","0.0002","90","","90","","90","","540.31","0.03","260","2","260","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.03 N1.97 O3 P -","- F H8 K0.026 N1.974 O3 P -","- F4 H32 K0.104 N7.896 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0453","0.0416","","","0.1049","0.1067","","","","","","1.149","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134501","6.0443","0.0002","7.8705","0.0003","11.1958","0.0005","90","","92.271","0.002","90","","532.18","0.04","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0 N2 O3 P -","- F H8 K0.028 N1.972 O3 P -","- F4 H32 K0.112 N7.888 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0852","0.0779","","","0.1936","0.198","","","","","","1.605","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134502","6.0447","0.0002","7.8661","0.0003","11.1926","0.0005","90","","92.297","0.002","90","","531.76","0.04","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.01 N1.99 O3 P -","- F H8 K0.012 N1.988 O3 P -","- F4 H32 K0.048 N7.952 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.077","0.0663","","","0.1378","0.1416","","","","","","1.252","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134503","6.0454","0.0002","7.8617","0.0003","11.189","0.0004","90","","92.319","0.001","90","","531.35","0.03","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.03 N1.97 O3 P -","- F H8 K0.032 N1.968 O3 P -","- F4 H32 K0.128 N7.872 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0781","0.0731","","","0.188","0.1903","","","","","","1.57","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134504","6.0442","0.0002","7.8558","0.0003","11.1835","0.0004","90","","92.34","0.001","90","","530.57","0.03","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.03 N1.97 O3 P -","- F H8 K0.03 N1.97 O3 P -","- F4 H32 K0.12 N7.88 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0751","0.0677","","","0.1748","0.1785","","","","","","1.466","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134505","6.043","0.0002","7.8506","0.0003","11.178","0.0004","90","","92.373","0.001","90","","529.84","0.03","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.04 N1.97 O3 P -","- F H8 K0.036 N1.964 O3 P -","- F4 H32 K0.144 N7.856 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0688","0.064","","","0.1686","0.1707","","","","","","1.424","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134506","10.8379","0.0013","15.0057","0.0014","7.9077","0.001","90","","107.595","0.013","90","","1225.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H11 I3 N2 Pb -","- C2 H11 I3 N2 Pb -","- C8 H44 I12 N8 Pb4 -","4","1","","Huang, Xiaofeng; Chen, Ruihao; Deng, Guocheng; Han, Faming; Ruan, Pengpeng; Cheng, Fangwen; Yin, Jun; Wu, Binghui; Zheng, Nanfeng","Methylamine-Dimer-Induced Phase Transition toward MAPbI<sub>3</sub> Films and High-Efficiency Perovskite Solar Modules.","Journal of the American Chemical Society","2020","142","13","6149","6157","10.1021/jacs.9b13443","","","0.71073","MoKα","","0.1398","0.0726","","","0.1375","0.1844","","","","","","1.003","","","","has coordinates","250065","2020-10-21","18:00:00",""
"4134507","13.7722","0.0004","14.9103","0.0004","19.1625","0.0008","90","","69.247","0.004","90","","3679.7","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H40 Cl0.23 I8.77 N7 Pb2 -","- C7 H40 Cl0.232 I8.768 N7 Pb2 -","- C28 H160 Cl0.928 I35.072 N28 Pb8 -","4","1","","Huang, Xiaofeng; Chen, Ruihao; Deng, Guocheng; Han, Faming; Ruan, Pengpeng; Cheng, Fangwen; Yin, Jun; Wu, Binghui; Zheng, Nanfeng","Methylamine-Dimer-Induced Phase Transition toward MAPbI<sub>3</sub> Films and High-Efficiency Perovskite Solar Modules.","Journal of the American Chemical Society","2020","142","13","6149","6157","10.1021/jacs.9b13443","","x-ray","0.71073","MoKα","","0.103","0.0621","","","0.1389","0.1633","","","","","","1.039","","","","has coordinates,has disorder","250065","2020-10-21","18:00:00",""
"4134508","11.3793","0.0001","11.8884","0.0002","12.7447","0.0002","90","","90","","90","","1724.12","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- F3 K Mo O2 -","- F3 K Mo O2 -","- F48 K16 Mo16 O32 -","16","4","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","x-ray","0.71073","MoKα","","0.0235","0.022","","","0.0457","0.0463","","","","","","1.045","","","","has coordinates","250056","2020-10-21","18:00:00",""
"4134509","11.3563","0.0005","11.8657","0.0005","12.7391","0.0006","90","","90","","90","","1716.6","0.13","100","","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- F3 K Mo O2 -","- F3 K Mo O2 -","- F48 K16 Mo16 O32 -","16","4","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","","0.71073","MoKα","","0.013","0.0129","","","0.0314","0.0314","","","","","","1.192","","","","has coordinates","250056","2020-10-21","18:00:00",""
"4134510","8.4691","0.0006","13.3818","0.0009","28.188","0.002","90","","95.692","0.004","90","","3178.8","0.4","100","","100.04","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F3 Mo O2 Rb -","- F3 Mo O2 Rb -","- F84 Mo28 O56 Rb28 -","28","3.5","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","","0.71073","MoKα","","0.0266","0.026","","","0.06","0.0603","","","","","","1.225","","","","has coordinates,has disorder","250056","2020-10-21","18:00:00",""
"4134511","8.3492","0.0003","13.4494","0.0005","28.2717","0.001","90","","95.004","0.002","90","","3162.6","0.2","100","2","99.96","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F3 Mo O2 Tl -","- F3 Mo O2 Tl -","- F84 Mo28 O56 Tl28 -","28","3.5","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","","0.71073","MoKα","","0.066","0.056","","","0.131","0.1369","","","","","","1.018","","","","has coordinates","250056","2020-10-21","18:00:00",""
"4134512","8.4774","0.0001","13.3966","0.0001","28.4385","0.0003","90","","95.073","0.001","90","","3217.06","0.06","200.01","0.1","200.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F3 Mo N O2 -","- F3 Mo N O2 -","- F84 Mo28 N28 O56 -","28","3.5","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","x-ray","0.71073","MoKα","","0.0227","0.0207","","","0.0502","0.051","","","","","","1.116","","","","has coordinates","250056","2020-10-21","18:00:00",""
"4134513","7.4499","0.0002","10.1587","0.0003","19.0266","0.0005","90","","90","","90","","1439.96","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CR-172","","","- C12 H20 N2 O2 S2 -","- C12 H20 N2 O2 S2 -","- C48 H80 N8 O8 S8 -","4","1","","Roos, Casey B.; Demaerel, Joachim; Graff, David E.; Knowles, Robert R.","Enantioselective Hydroamination of Alkenes with Sulfonamides Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2020","142","13","5974","5979","10.1021/jacs.0c01332","","","1.54178","CuKα","","0.0243","0.0231","","","0.0595","0.0601","","","","","","1.09","","","","has coordinates","250067","2020-10-21","18:00:00",""
"4134514","7.5385","0.0003","11.336","0.0004","17.2319","0.0006","90","","90","","90","","1472.58","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CR-173","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Roos, Casey B.; Demaerel, Joachim; Graff, David E.; Knowles, Robert R.","Enantioselective Hydroamination of Alkenes with Sulfonamides Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2020","142","13","5974","5979","10.1021/jacs.0c01332","","","1.54178","CuKα","","0.0227","0.0224","","","0.0582","0.0583","","","","","","1.096","","","","has coordinates","250067","2020-10-21","18:00:00",""
"4134515","26.4032","0.0009","17.2822","0.0009","15.4213","0.0006","90","","113.881","0.002","90","","6434.4","0.5","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H22 Au B Cl2 F4 N2 -","- C37 H22 Au B Cl2 F4 N2 -","- C296 H176 Au8 B8 Cl16 F32 N16 -","8","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Øien-Ødegaard, Sigurd; Vanderkooy, Alan; Gupta, Arvind Kumar; Carlsson, Anna-Carin C; Orthaber, Andreas; Fiksdahl, Anne; Pápai, Imre; Erdélyi, Máté","Catalytic Activity of <i>trans</i>-Bis(pyridine)gold Complexes.","Journal of the American Chemical Society","2020","142","13","6439","6446","10.1021/jacs.0c01941","","x-ray","0.71073","MoKα","","0.0461","0.0284","","","0.0644","0.0718","","","","","","1.034","","","","has coordinates","250062","2020-10-21","18:00:00",""
"4134516","32.117","0.015","12.282","0.006","8.293","0.004","90","","90","","90","","3271","3","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H20 Au2 Cl6 N2 O2 -","- C26 H20 Au2 Cl6 N2 O2 -","- C104 H80 Au8 Cl24 N8 O8 -","4","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Øien-Ødegaard, Sigurd; Vanderkooy, Alan; Gupta, Arvind Kumar; Carlsson, Anna-Carin C; Orthaber, Andreas; Fiksdahl, Anne; Pápai, Imre; Erdélyi, Máté","Catalytic Activity of <i>trans</i>-Bis(pyridine)gold Complexes.","Journal of the American Chemical Society","2020","142","13","6439","6446","10.1021/jacs.0c01941","","","0.71073","MoKα","","0.0947","0.0686","","","0.1449","0.1566","","","","","","1.03","","","","has coordinates","250062","2020-10-21","18:00:00",""
"4134517","26.339","0.003","15.8633","0.0015","20.316","0.002","90","","125.911","0.002","90","","6875.1","1.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C73 H42 Au4 Cl10 N4 -","- C73 H42 Au4 Cl10 N4 -","- C292 H168 Au16 Cl40 N16 -","4","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Øien-Ødegaard, Sigurd; Vanderkooy, Alan; Gupta, Arvind Kumar; Carlsson, Anna-Carin C; Orthaber, Andreas; Fiksdahl, Anne; Pápai, Imre; Erdélyi, Máté","Catalytic Activity of <i>trans</i>-Bis(pyridine)gold Complexes.","Journal of the American Chemical Society","2020","142","13","6439","6446","10.1021/jacs.0c01941","","","0.71073","MoKα","","0.0989","0.0648","","","0.1464","0.1656","","","","","","1.05","","","","has coordinates","250062","2020-10-21","18:00:00",""
"4134518","14.22334","0.00008","14.22334","0.00008","37.3147","0.0002","90","","90","","120","","6537.53","0.06","100.01","0.15","100.01","0.15","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C84 H12 Cu6 F42 O18 -","- C84 H12 Cu6 F42 O18 -","- C252 H36 Cu18 F126 O54 -","3","0.0833333","","Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan","Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C<sub>60</sub>@Cu<sub>24</sub> Rhombicuboctahedron.","Journal of the American Chemical Society","2020","142","13","5943","5947","10.1021/jacs.0c00090","","x-ray","1.54184","CuKα","","0.1183","0.1171","","","0.32","0.3211","","","","","","1.115","","","","has coordinates,has disorder","250066","2020-10-21","18:00:00",""
"4134519","13.5207","0.0002","18.2853","0.0003","18.8367","0.0002","107.685","0.001","108.685","0.001","95.644","0.001","4103.1","0.11","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","7F-12","","","- C137 H32 Cl2 Cu13 F113 O42 -","- C137 H32 Cl2 Cu13 F113 O42 -","- C137 H32 Cl2 Cu13 F113 O42 -","1","0.5","","Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan","Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C<sub>60</sub>@Cu<sub>24</sub> Rhombicuboctahedron.","Journal of the American Chemical Society","2020","142","13","5943","5947","10.1021/jacs.0c00090","","x-ray","1.54184","CuKα","","0.0958","0.0898","","","0.2559","0.2629","","","","","","1.046","","","","has coordinates,has disorder","250066","2020-10-21","18:00:00",""
"4134520","17.717","0.0003","17.7627","0.0006","17.8073","0.0004","63.11","0.003","88.8395","0.0017","86.946","0.002","4990.9","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C148 H92 Cu24 F72 O78 -","- C148 H92 Cu24 F72 O78 -","- C148 H92 Cu24 F72 O78 -","1","0.5","","Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan","Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C<sub>60</sub>@Cu<sub>24</sub> Rhombicuboctahedron.","Journal of the American Chemical Society","2020","142","13","5943","5947","10.1021/jacs.0c00090","","x-ray","1.54184","CuKα","","0.0623","0.0554","","","0.1647","0.17","","","","","","1.055","","","","has coordinates,has disorder","250066","2020-10-21","18:00:00",""
"4134521","25.6664","0.0006","25.6664","0.0006","24.6267","0.0009","90","","90","","120","","14049.7","0.7","100","0.11","100","0.11","","","","","","","","5","R -3 :H","-R 3","148","","","","- C210 H162 Cl6 Cu24 O72 -","- C210 H162 Cl6 Cu24 O72 -","- C630 H486 Cl18 Cu72 O216 -","3","0.166667","","Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan","Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C<sub>60</sub>@Cu<sub>24</sub> Rhombicuboctahedron.","Journal of the American Chemical Society","2020","142","13","5943","5947","10.1021/jacs.0c00090","","x-ray","1.54184","CuKα","","0.0598","0.0547","","","0.1495","0.1539","","","","","","1.07","","","","has coordinates,has disorder","250066","2020-10-21","18:00:00",""
"4134525","42.4955","0.0011","42.4955","0.0011","42.4955","0.0011","90","","90","","90","","76741","3","150","2","150.01","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H114 N26 O22.33 P1.33 -","- C90 H114 N26 O22.3333 P1.33333 -","- C2160 H2735.99 N624 O536 P32 -","24","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54178","CuKα","","0.1561","0.1173","","","0.3064","0.3463","","","","","","1.003","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134526","42.271","0.006","42.271","","42.271","","90","","90","","90","","75531","11","150","2","150.02","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H110 N26 O22.33 P1.33 -","- C90 H110 N26 O22.3333 P1.33333 -","- C2160 H2640 N624 O536 P32 -","24","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54178","CuKα","","0.1427","0.108","","","0.2926","0.3237","","","","","","1.012","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134527","32.2178","0.0019","32.2178","0.0019","32.2178","0.0019","90","","90","","90","","33442","3","150","2","150.02","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C86 H108 N24 O22.33 P1.33 -","- C86 H87.9999 N24 O22.3333 P1.33333 -","- C1032 H1056 N288 O268 P16 -","12","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54178","CuKα","","0.1445","0.1203","","","0.315","0.3444","","","","","","1.074","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134528","32.135","0.004","32.135","","32.135","","90","","90","","90","","33184","4","150","2","150.02","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C86 H89 N24 O22.33 P1.33 -","- C86 H88.9998 N24 O22.3333 P1.33333 -","- C1032 H1068 N288 O268 P16 -","12","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54184","CuKα","","0.0766","0.0725","","","0.2063","0.2144","","","","","","1.06","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134530","9.9447","0.0012","9.9447","0.0012","10.1091","0.0013","90","","90","","90","","999.8","0.2","299","2","299.45","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- In8 Ir2 Se -","- In8 Ir2 Se -","- In32 Ir8 Se4 -","4","0.25","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","","0.71073","MoKα","","0.0286","0.0285","","","0.0639","0.0639","","","","","","1.187","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134531","10.005","0.004","10.007","0.004","10.196","0.004","90","","90","","89.991","0.008","1020.8","0.7","115","","115","","","","","","","","","3","P 1 1 m","P -2","6","","","","- In8 Ir2 Te -","- In8 Ir2 Te -","- In32 Ir8 Te4 -","4","2","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","x-ray","0.71073","MoKα","","0.1237","0.0747","","","0.1218","0.1314","","","","3.6","3.6","2.37","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134532","9.92","0.0006","9.9262","0.0006","10.1092","0.0006","90","","90","","89.9995","","995.43","0.1","120","","120","","","","","","","","","3","P 1 1 m","P -2","6","","","","- In8 Ir2 Se -","- In8 Ir2 Se -","- In32 Ir8 Se4 -","4","2","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","x-ray","0.71073","MoKα","","0.0749","0.0513","","","0.1085","0.1101","","","","3.32","3.32","2.45","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134533","9.92","0.0014","9.92","0.0014","10.14","0.002","90","","90","","90","","997.8","0.3","299","","299","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- In8 Ir2 S -","- In8 Ir2 S -","- In32 Ir8 S4 -","4","0.25","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","","0.71073","MoKα","","0.0224","0.022","","","0.0463","0.0465","","","","","","1.162","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134534","10.124","0.008","10.124","0.008","10.291","0.009","90","","90","","90","","1054.8","1.5","299","","299","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- In8 Ir2 Te -","- In8 Ir2 Te -","- In32 Ir8 Te4 -","4","0.25","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","","0.71073","MoKα","","0.0383","0.0254","","","0.0472","0.0511","","","","","","1.081","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134535","11.6067","0.0001","26.8486","0.0003","8.9726","0.0001","90","","90","","90","","2796.07","0.05","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C65.5 H61 Cl3 O2 -","- C65.5 H61 Cl3 O2 -","- C131 H122 Cl6 O4 -","2","0.5","","Miró, Javier; Gensch, Tobias; Ellwart, Mario; Han, Seo-Jung; Lin, Hsin-Hui; Sigman, Matthew S.; Toste, F. Dean","Enantioselective Allenoate-Claisen Rearrangement Using Chiral Phosphate Catalysts.","Journal of the American Chemical Society","2020","142","13","6390","6399","10.1021/jacs.0c01637","","","1.54184","CuKα","","0.0556","0.0537","","","0.1504","0.1522","","","","","","1.067","","","","has coordinates","250061","2020-10-21","18:00:00",""
"4134536","8.7338","0.0001","13.7551","0.0002","14.4231","0.0002","90","","90","","90","","1732.71","0.04","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 B F4 N -","- C17 H24 B F4 N -","- C68 H96 B4 F16 N4 -","4","1","","Miró, Javier; Gensch, Tobias; Ellwart, Mario; Han, Seo-Jung; Lin, Hsin-Hui; Sigman, Matthew S.; Toste, F. Dean","Enantioselective Allenoate-Claisen Rearrangement Using Chiral Phosphate Catalysts.","Journal of the American Chemical Society","2020","142","13","6390","6399","10.1021/jacs.0c01637","","","1.54184","CuKα","","0.0419","0.0401","","","0.1056","0.1069","","","","","","1.042","","","","has coordinates,has disorder","250061","2020-10-21","18:00:00",""
"4134537","8.8378","0.0002","12.492","0.0003","16.4162","0.0003","76.737","0.002","78.709","0.002","79.504","0.002","1711.92","0.07","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H58 Ni O P2 -","- C38 H58 Ni O P2 -","- C76 H116 Ni2 O2 P4 -","2","1","","Malapit, Christian A.; Borrell, Margarida; Milbauer, Michael W.; Brigham, Conor E.; Sanford, Melanie S.","Nickel-Catalyzed Decarbonylative Amination of Carboxylic Acid Esters.","Journal of the American Chemical Society","2020","142","13","5918","5923","10.1021/jacs.9b13531","","","1.54184","CuKα","","0.0411","0.0407","","","0.1111","0.1115","","","","","","1.062","","","","has coordinates","250064","2020-10-21","18:00:00",""
"4134538","13.1407","0.0002","18.4231","0.0004","16.9248","0.0003","90","","106.562","0.002","90","","3927.37","0.13","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H59 N Ni P2 -","- C40 H59 N Ni P2 -","- C160 H236 N4 Ni4 P8 -","4","1","","Malapit, Christian A.; Borrell, Margarida; Milbauer, Michael W.; Brigham, Conor E.; Sanford, Melanie S.","Nickel-Catalyzed Decarbonylative Amination of Carboxylic Acid Esters.","Journal of the American Chemical Society","2020","142","13","5918","5923","10.1021/jacs.9b13531","","","1.54184","CuKα","","0.0915","0.0808","","","0.2179","0.2327","","","","","","1.05","","","","has coordinates","250064","2020-10-21","18:00:00",""
"4134600","17.8071","0.0013","20.7861","0.0017","11.1015","0.0008","90","","90","","90","","4109.1","0.5","123","2","123","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C42.5 H32 Cl5 F3 N2 O Pd -","- C42.5 H32 Cl5 F3 N2 O Pd -","- C170 H128 Cl20 F12 N8 O4 Pd4 -","4","1","","Tran, Quan H.; Brookhart, Maurice; Daugulis, Olafs","New Neutral Nickel and Palladium Sandwich Catalysts: Synthesis of Ultra-High Molecular Weight Polyethylene (UHMWPE) via Highly Controlled Polymerization and Mechanistic Studies of Chain Propagation.","Journal of the American Chemical Society","2020","142","15","7198","7206","10.1021/jacs.0c02045","","","0.71073","MoKα","","0.0326","0.0287","","","0.0642","0.0663","","","","","","1.022","","","","has coordinates","251468","2020-10-21","18:00:00",""
"4134601","11.4494","0.0005","18.261","0.0009","19.2278","0.0009","91.268","0.002","95.438","0.002","95.772","0.002","3979.7","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H27 Cl4 F3 N2 O Pd -","- C44 H27 Cl4 F3 N2 O Pd -","- C176 H108 Cl16 F12 N8 O4 Pd4 -","4","2","","Tran, Quan H.; Brookhart, Maurice; Daugulis, Olafs","New Neutral Nickel and Palladium Sandwich Catalysts: Synthesis of Ultra-High Molecular Weight Polyethylene (UHMWPE) via Highly Controlled Polymerization and Mechanistic Studies of Chain Propagation.","Journal of the American Chemical Society","2020","142","15","7198","7206","10.1021/jacs.0c02045","","","1.54178","CuKα","","0.0317","0.0295","","","0.0787","0.0805","","","","","","1.025","","","","has coordinates","251468","2020-10-21","18:00:00",""
"4134602","11.3097","0.001","16.5092","0.0015","21.156","0.002","90","","91.13","0.001","90","","3949.4","0.6","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H26 Cl4 F6 N2 Ni O -","- C45 H26 Cl4 F6 N2 Ni O -","- C180 H104 Cl16 F24 N8 Ni4 O4 -","4","1","","Tran, Quan H.; Brookhart, Maurice; Daugulis, Olafs","New Neutral Nickel and Palladium Sandwich Catalysts: Synthesis of Ultra-High Molecular Weight Polyethylene (UHMWPE) via Highly Controlled Polymerization and Mechanistic Studies of Chain Propagation.","Journal of the American Chemical Society","2020","142","15","7198","7206","10.1021/jacs.0c02045","","","0.71073","MoKα","","0.0378","0.0309","","","0.0753","0.0787","","","","","","1.045","","","","has coordinates,has disorder","251468","2020-10-21","18:00:00",""
"4134607","40.116","0.003","20.2528","0.0012","23.0493","0.0015","90","","100.858","0.006","90","","18391","2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C198 H208 N8 O16 -","- C198 H208 N8 O16 -","- C792 H832 N32 O64 -","4","1","","Schuster, Nathaniel J.; Joyce, Leo A.; Paley, Daniel W.; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin","The Structural Origins of Intense Circular Dichroism in a Waggling Helicene Nanoribbon.","Journal of the American Chemical Society","2020","142","15","7066","7074","10.1021/jacs.0c00646","","x-ray","1.54184","CuKα","","0.3035","0.1806","","","0.4585","0.5347","","","","","","1.327","","","","has coordinates","251467","2020-10-21","18:00:00",""
"4134612","21.493","0.006","29.212","0.008","36.334","0.011","90","","90","","90","","22812","11","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C178 H179 F72 N24 O0.5 S6 Se6 -","- C178 H179 F72 N24 O0.5 S6 Se6 -","- C712 H716 F288 N96 O2 S24 Se24 -","4","1","","Lin, Yingfu; Hirschi, William J.; Kunadia, Anuj; Paul, Anirudra; Ghiviriga, Ion; Abboud, Khalil A.; Karugu, Rachael W.; Vetticatt, Mathew J.; Hirschi, Jennifer S.; Seidel, Daniel","A Selenourea-Thiourea Brønsted Acid Catalyst Facilitates Asymmetric Conjugate Additions of Amines to α,β-Unsaturated Esters.","Journal of the American Chemical Society","2020","142","12","5627","5635","10.1021/jacs.9b12457","","","0.71073","MoKα","","0.1539","0.0719","","","0.1654","0.1846","","","","","","1.003","","","","has coordinates,has disorder","250027","2020-10-21","18:00:00",""
"4134623","8.058","0.0004","8.2082","0.0004","19.263","0.001","81.733","0.0011","89.6948","0.001","80.2803","0.001","1242.51","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","TJS-A-01","","","- C28 H28 N2 O5 S -","- C28 H28 N2 O5 S -","- C56 H56 N4 O10 S2 -","2","1","","Steiman, Talia J.; Liu, Junyi; Mengiste, Amanuella; Doyle, Abigail G.","Synthesis of β-Phenethylamines via Ni/Photoredox Cross-Electrophile Coupling of Aliphatic Aziridines and Aryl Iodides.","Journal of the American Chemical Society","2020","142","16","7598","7605","10.1021/jacs.0c01724","","","0.71073","MoKα","","0.0561","0.0448","","","0.1176","0.1246","","","","","","1.06","","","","has coordinates,has disorder","251460","2020-10-21","18:00:00",""
"4134635","13.3029","0.0003","14.1443","0.0003","15.9246","0.0004","112.076","0.002","111.146","0.002","92.244","0.002","2536.25","0.12","140","0.1","140","0.1","","","","","","","","6","P 1","P 1","1","","","","- C115 H97 Fe3 N17 Na6 O6 -","- C115 H97 Fe3 N17 Na6 O6 -","- C115 H97 Fe3 N17 Na6 O6 -","1","1","","Toniolo, Davide; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Assembly of High-Spin [Fe<sub>3</sub>] Clusters by Ligand-Based Multielectron Reduction.","Journal of the American Chemical Society","2020","142","16","7301","7305","10.1021/jacs.0c01664","","x-ray","0.71073","MoKα","","0.0894","0.0589","","","0.1098","0.1257","","","","","","1.028","","","","has coordinates,has disorder","251454","2020-10-21","18:00:00",""
"4134636","13.4845","0.0003","33.0195","0.0012","22.9829","0.0007","90","","105.404","0.003","90","","9865.6","0.5","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C176 H196 Fe6 N12 Na12 O26 -","- C176 H196 Fe6 N12 Na12 O26 -","- C352 H392 Fe12 N24 Na24 O52 -","2","0.5","","Toniolo, Davide; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Assembly of High-Spin [Fe<sub>3</sub>] Clusters by Ligand-Based Multielectron Reduction.","Journal of the American Chemical Society","2020","142","16","7301","7305","10.1021/jacs.0c01664","","x-ray","1.54184","CuKα","","0.1049","0.0958","","","0.257","0.264","","","","","","1.073","","","","has coordinates,has disorder","251454","2020-10-21","18:00:00",""
"4134637","38.585","0.01","38.585","0.01","38.585","0.01","90","","90","","90","","57445","3","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN-224","Hf-TBB","","- C72.29 H39.16 Hf6.02 N6.02 O32.13 -","- C72 H45 Hf6 N6 O32 -","- C576 H360 Hf48 N48 O256 -","8","0.0833333","","Luo, Taokun; Ni, Kaiyuan; Culbert, August; Lan, Guangxu; Li, Zhe; Jiang, Xiaomin; Kaufmann, Michael; Lin, Wenbin","Nanoscale Metal-Organic Frameworks Stabilize Bacteriochlorins for Type I and Type II Photodynamic Therapy.","Journal of the American Chemical Society","2020","142","16","7334","7339","10.1021/jacs.0c02129","","x-ray","0.41328","synchrotron","","0.1085","0.1041","","","0.2388","0.2417","","","","","","1.003","","","","has coordinates","251463","2020-10-21","18:00:00",""
"4134665","9.1462","0.0002","7.02845","0.00014","16.4441","0.0004","90","","90.62","0.002","90","","1057.02","0.04","174.99","0.1","174.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","C30H12F4N2","","- C30 H12 F4 N2 -","- C30 H12 F4 N2 -","- C60 H24 F8 N4 -","2","1","","Sun, Yanqiu; Lei, Yilong; Hu, Wenping; Wong, Wai-Yeung","Epitaxial Growth of Nanorod Meshes from Luminescent Organic Cocrystals via Crystal Transformation.","Journal of the American Chemical Society","2020","142","16","7265","7269","10.1021/jacs.0c00135","","x-ray","1.54184","CuKα","","0.0346","0.0323","","","0.1002","0.1021","","","","","","1.1","","","","has coordinates","251446","2020-10-21","18:00:00",""
"4134666","7.023","0.0014","33.943","0.007","17.584","0.004","90","","90.07","0.03","90","","4191.7","1.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 F4 N2 -","- C30 H12 F4 N2 -","- C240 H96 F32 N16 -","8","2","","Sun, Yanqiu; Lei, Yilong; Hu, Wenping; Wong, Wai-Yeung","Epitaxial Growth of Nanorod Meshes from Luminescent Organic Cocrystals via Crystal Transformation.","Journal of the American Chemical Society","2020","142","16","7265","7269","10.1021/jacs.0c00135","","","0.71073","MoKα","","0.0731","0.0601","","","0.1644","0.2065","","","","","","1.051","","","","has coordinates","251446","2020-10-21","18:00:00",""
"4134667","23.2214","0.0003","20.51134","0.00017","17.808","0.0002","90","","109.079","0.0014","90","","8016.05","0.17","225","2","225","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H52 Cu2 F6 N4 O6 S2 -","- C32 H52 Cu2 F6 N4 O6 S2 -","- C256 H416 Cu16 F48 N32 O48 S16 -","8","1","","Sharninghausen, Liam S.; Brooks, Allen F.; Winton, Wade P.; Makaravage, Katarina J.; Scott, Peter J. H.; Sanford, Melanie S.","NHC-Copper Mediated Ligand-Directed Radiofluorination of Aryl Halides.","Journal of the American Chemical Society","2020","142","16","7362","7367","10.1021/jacs.0c02637","","","1.54184","CuKα","","0.0415","0.0407","","","0.107","0.1078","","","","","","1.056","","","","has coordinates,has disorder","251449","2020-10-21","18:00:00",""
"4134668","8.4835","0.0006","11.9653","0.0008","12.0408","0.0007","87.075","0.005","80.401","0.005","71.73","0.006","1144.37","0.14","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H34 Cl2 Cu F N2 -","- C24 H34 Cl2 Cu F N2 -","- C48 H68 Cl4 Cu2 F2 N4 -","2","1","","Sharninghausen, Liam S.; Brooks, Allen F.; Winton, Wade P.; Makaravage, Katarina J.; Scott, Peter J. H.; Sanford, Melanie S.","NHC-Copper Mediated Ligand-Directed Radiofluorination of Aryl Halides.","Journal of the American Chemical Society","2020","142","16","7362","7367","10.1021/jacs.0c02637","","x-ray","1.54184","CuKα","","0.0421","0.0396","","","0.1011","0.1057","","","","","","1.054","","","","has coordinates","251449","2020-10-21","18:00:00",""
"4134669","8.9286","0.0002","16.9996","0.0004","22.4884","0.0005","90","","90","","90","","3413.35","0.13","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 Br Fe N5 O -","- C36 H46 Br Fe N5 O -","- C144 H184 Br4 Fe4 N20 O4 -","4","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0241","0.0218","","","0.0488","0.0498","","","","","","1.072","","","","has coordinates","251450","2020-10-21","18:00:00",""
"4134670","8.77732","0.00019","17.1427","0.0003","22.6633","0.0005","90","","90","","90","","3410.08","0.12","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 Cl Fe N5 O -","- C36 H46 Cl Fe N5 O -","- C144 H184 Cl4 Fe4 N20 O4 -","4","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0257","0.0238","","","0.0541","0.055","","","","","","1.055","","","","has coordinates","251450","2020-10-21","18:00:00",""
"4134671","12.6479","0.0004","13.0462","0.0004","21.3658","0.0007","90","","101.978","0.003","90","","3448.75","0.19","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H46.99 Br1.01 Fe N5 O1.99 -","- C36 H46.9886 Br1.0114 Fe N5 O1.9886 -","- C144 H187.954 Br4.0456 Fe4 N20 O7.9544 -","4","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0566","0.0388","","","0.0816","0.0889","","","","","","1.033","","","","has coordinates,has disorder","251450","2020-10-21","18:00:00",""
"4134672","32.8869","0.0009","11.113","0.0003","23.5812","0.0005","90","","90.019","0.002","90","","8618.3","0.4","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H62 Cl2 Fe N5 O3 -","- C44 H62 Cl2 Fe N5 O3 -","- C352 H496 Cl16 Fe8 N40 O24 -","8","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0371","0.0322","","","0.0764","0.079","","","","","","1.045","","","","has coordinates,has disorder","251450","2020-10-21","18:00:00",""
"4134673","12.6925","0.0003","13.0034","0.0003","21.3161","0.0005","90","","102.247","0.002","90","","3438.06","0.14","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H47 Cl1.06 Fe N5 O1.94 -","- C36 H47 Cl1.058 Fe N5 O1.942 -","- C144 H188 Cl4.232 Fe4 N20 O7.768 -","4","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0527","0.0422","","","0.1036","0.1101","","","","","","1.051","","","","has coordinates,has disorder","251450","2020-10-21","18:00:00",""
"4134674","14.4887","0.0002","22.9828","0.0002","21.1268","0.0002","90","","103.175","0.001","90","","6849.86","0.13","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C103 H207 Mo10 N4 Nb2 O42 P -","- C103 H207 Mo10 N4 Nb2 O42 P -","- C206 H414 Mo20 N8 Nb4 O84 P2 -","2","1","","Zhang, Guanyun; Gadot, Eyal; Gan-Or, Gal; Baranov, Mark; Tubul, Tal; Neyman, Alevtina; Li, Mu; Clotet, Anna; Poblet, Josep M.; Yin, Panchao; Weinstock, Ira A.","Self-Assembly and Ionic-Lattice-like Secondary Structure of a Flexible Linear Polymer of Highly Charged Inorganic Building Blocks.","Journal of the American Chemical Society","2020","142","16","7295","7300","10.1021/jacs.0c01486","","","0.71073","MoKα","","0.0666","0.0621","","","0.1503","0.1541","","","","","","1.02","","","","has coordinates,has disorder","251451","2020-10-21","18:00:00",""
"4134675","18.6068","0.0014","7.2917","0.0006","20.2774","0.0015","90","","110.916","0.002","90","","2569.9","0.3","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C28 H26 I2 N O2 P -","- C28 H26 I2 N O2 P -","- C112 H104 I8 N4 O8 P4 -","4","1","","Yan, Shengyi; Xia, Wang; Li, Shaoyu; Song, Qiuling; Xiang, Shao-Hua; Tan, Bin","Michael Reaction Inspired Atroposelective Construction of Axially Chiral Biaryls.","Journal of the American Chemical Society","2020","142","16","7322","7327","10.1021/jacs.0c01963","","x-ray","0.71073","MoKα","","0.0557","0.0501","","","0.1168","0.1197","","","","","","1.025","","","","has coordinates","251453","2020-10-21","18:00:00",""
"4134676","20.539","0.0019","14.8908","0.0014","15.0531","0.0015","90","","90","","90","","4603.9","0.8","100","2","99.93","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H18 Cu F6 N4 O2.5 Zr -","- C20 H18 Cu F6 N4 O2.5 Zr -","- C160 H144 Cu8 F48 N32 O20 Zr8 -","8","2","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0341","0.0317","","","0.0785","0.08","","","","","","1.044","","","","has coordinates,has disorder","251456","2020-10-21","18:00:00",""
"4134677","20.555","0.0007","14.8898","0.0005","15.0487","0.0005","90","","90","","90","","4605.8","0.3","100","2","100.04","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H18 Cu F6 Hf N4 O2.5 -","- C20 H18 Cu F6 Hf N4 O2.5 -","- C160 H144 Cu8 F48 Hf8 N32 O20 -","8","2","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0304","0.0248","","","0.0503","0.052","","","","","","1.042","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134678","7.1475","0.0003","9.9867","0.0004","10.8497","0.0004","91.854","0.002","106.408","0.002","104.499","0.002","714.81","0.05","100","2","99.98","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H24 Cu2 F12 N4 O4 Zr2 -","- C20 H24 Cu2 F12 N4 O4 Zr2 -","- C20 H24 Cu2 F12 N4 O4 Zr2 -","1","0.5","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0259","0.0217","","","0.0514","0.0531","","","","","","1.041","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134679","6.259","0.0003","9.2167","0.0005","12.2518","0.0007","90","","90.846","0.002","90","","706.7","0.07","100","","100.11","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C10 H12 Cu F6 Hf N2 O2 -","- C10 H12 Cu F6 Hf N2 O2 -","- C20 H24 Cu2 F12 Hf2 N4 O4 -","2","0.5","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0166","0.0162","","","0.0425","0.0428","","","","","","1.12","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134680","20.3754","0.0006","14.6737","0.0005","14.8668","0.0005","90","","90","","90","","4444.9","0.2","100","","100.07","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H18 Cu F6 N4 O2.5 Ti -","- C20 H18 Cu F6 N4 O2.5 Ti -","- C160 H144 Cu8 F48 N32 O20 Ti8 -","8","2","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0688","0.0424","","","0.0902","0.1021","","","","","","1.028","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134681","7.727","0.0001","14.3219","0.0003","12.3521","0.0003","90","","90","","90","","1366.95","0.05","100","2","99.97","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 Cu F6 N2 O2 Ti -","- C10 H12 Cu F6 N2 O2 Ti -","- C40 H48 Cu4 F24 N8 O8 Ti4 -","4","0.5","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0254","0.0225","","","0.0607","0.0622","","","","","","1.052","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134682","9.718","0.0019","10.43","0.002","10.479","0.002","109.11","0.03","102.3","0.03","96.78","0.03","960.1","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 F4 O -","- C25 H18 F4 O -","- C50 H36 F8 O2 -","2","1","","Xie, Weilong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source.","Journal of the American Chemical Society","2020","142","16","7487","7496","10.1021/jacs.0c00169","","","0.7","synchrotron","","0.0716","0.0568","","","0.1666","0.178","","","","","","1.109","","","","has coordinates,has disorder","251457","2020-10-21","18:00:00",""
"4134683","9.609","0.004","15.344","0.006","21.494","0.009","90","","90","","90","","3169","2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H38 F4 O5 -","- C36 H38 F4 O5 -","- C144 H152 F16 O20 -","4","1","","Xie, Weilong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source.","Journal of the American Chemical Society","2020","142","16","7487","7496","10.1021/jacs.0c00169","","","0.71073","MoKα","","0.1517","0.1053","","","0.1829","0.2036","","","","","","1.192","","","","has coordinates,has disorder","251457","2020-10-21","18:00:00",""
"4134684","11.057","0.002","15.078","0.003","22.516","0.005","90","","92.95","0.03","90","","3748.8","1.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 F4 O -","- C23 H20 F4 O -","- C184 H160 F32 O8 -","8","2","","Xie, Weilong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source.","Journal of the American Chemical Society","2020","142","16","7487","7496","10.1021/jacs.0c00169","","","0.75","synchrotron","","0.2105","0.1425","","","0.326","0.3523","","","","","","1.714","","","","has coordinates,has disorder","251457","2020-10-21","18:00:00",""
"4134685","13.666","0.003","8.146","0.0016","16.531","0.003","90","","98.73","0.03","90","","1819","0.6","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 F4 O -","- C23 H18 F4 O -","- C92 H72 F16 O4 -","4","1","","Xie, Weilong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source.","Journal of the American Chemical Society","2020","142","16","7487","7496","10.1021/jacs.0c00169","","","0.73","synchrotron","","0.0989","0.0521","","","0.1656","0.1883","","","","","","1","","","","has coordinates,has disorder","251457","2020-10-21","18:00:00",""
"4134686","34.417","0.003","34.417","0.003","26.544","0.002","90","","90","","120","","27230","4","100","","100","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C300 H420 Mg24 O138 -","- C300 H330 Mg24 O138 -","- C900 H990 Mg72 O414 -","3","0.166667","","Shao, Li; Hua, Bin; Hu, Xiangquan; Stalla, David; Kelley, Steven P.; Atwood, Jerry L.","Construction of Polymeric Metal-Organic Nanocapsule Networks via Supramolecular Coordination-Driven Self-Assembly.","Journal of the American Chemical Society","2020","142","16","7270","7275","10.1021/jacs.0c00640","","","0.71073","MoKα","","0.1325","0.081","","","0.2118","0.2488","","","","","","1.023","","","","has coordinates,has disorder","251458","2020-10-21","18:00:00",""
"4134687","37.025","0.005","36.916","0.005","26.53","0.004","90","","94.801","0.004","90","","36134","9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C265 H296 Mg24 N2 O129 -","- C265 H261 Mg24 N2 O129 -","- C1060 H1044 Mg96 N8 O516 -","4","1","","Shao, Li; Hua, Bin; Hu, Xiangquan; Stalla, David; Kelley, Steven P.; Atwood, Jerry L.","Construction of Polymeric Metal-Organic Nanocapsule Networks via Supramolecular Coordination-Driven Self-Assembly.","Journal of the American Chemical Society","2020","142","16","7270","7275","10.1021/jacs.0c00640","","","0.71073","MoKα","","0.1382","0.089","","","0.2539","0.2987","","","","","","1.027","","","","has coordinates","251458","2020-10-21","18:00:00",""
"4134688","9.4673","0.0008","11.3216","0.0009","32.085","0.003","90","","97.472","0.003","90","","3409.8","0.5","100.04","","100.04","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 Ni O -","- C24 H16 N2 Ni O -","- C192 H128 N16 Ni8 O8 -","8","2","","Wong, Yip-Sang; Tang, Man-Chung; Ng, Maggie; Yam, Vivian Wing-Wah","Toward the Design of Phosphorescent Emitters of Cyclometalated Earth-Abundant Nickel(II) and Their Supramolecular Study.","Journal of the American Chemical Society","2020","142","16","7638","7646","10.1021/jacs.0c02172","","x-ray","0.71073","MoKα","","0.057","0.0481","","","0.1165","0.1204","","","","","","1.167","","","","has coordinates","251459","2020-10-21","18:00:00",""
"4134689","9.772","0.003","14.573","0.004","9.077","0.004","90","","95.29","0.03","90","","1287.1","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 Cl N2 Ni -","- C16 H11 Cl N2 Ni -","- C64 H44 Cl4 N8 Ni4 -","4","0.5","","Wong, Yip-Sang; Tang, Man-Chung; Ng, Maggie; Yam, Vivian Wing-Wah","Toward the Design of Phosphorescent Emitters of Cyclometalated Earth-Abundant Nickel(II) and Their Supramolecular Study.","Journal of the American Chemical Society","2020","142","16","7638","7646","10.1021/jacs.0c02172","","","0.65295","Synchrotron","","0.0474","0.044","","","0.1184","0.122","","","","","","1.066","","","","has coordinates","251459","2020-10-21","18:00:00",""
"4134690","7.66791","0.00014","35.5294","0.0006","18.9331","0.0003","90","","90.5243","0.0017","90","","5157.85","0.15","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H108 Mn4 N20 O22 -","- C82 H108 Mn4 N20 O22 -","- C164 H216 Mn8 N40 O44 -","2","0.5","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","1.54184","CuKα","","0.0573","0.0525","","","0.1446","0.1488","","","","","","1.048","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134691","14.5195","0.0007","47.357","0.002","14.8983","0.0007","90","","101.308","0.001","90","","10045.2","0.8","120","2","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C166 H174 Mn4 N38 O16 -","- C166 H174 Mn4 N38 O16 -","- C332 H348 Mn8 N76 O32 -","2","0.5","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","0.71073","MoKα","","0.1036","0.0793","","","0.2406","0.2541","","","","","","1.065","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134692","47.019","0.002","8.0598","0.0003","41.8518","0.0019","90","","123.828","0.004","90","","13175.4","1.1","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H84 Cl6 Co4 N24 O38 -","- C90 H92 Cl6 Co4 N24 O38 -","- C360 H368 Cl24 Co16 N96 O152 -","4","0.5","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","1.54178","CuKα","","0.174","0.1293","","","0.3523","0.3894","","","","","","1.228","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134693","14.8683","0.0017","35.964","0.004","15.7673","0.0018","90","","115.88","0.003","90","","7585.6","1.5","120","2","119.99","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C37 H34 F3 N10 O10 S Zn2 -","- C37 H34 F3 N10 O10 S Zn2 -","- C148 H136 F12 N40 O40 S4 Zn8 -","4","1","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","0.71073","MoKα","","0.2173","0.1471","","","0.423","0.4519","","","","","","1.329","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134694","10.8346","0.0004","16.7939","0.0006","19.7458","0.0007","107.577","0.002","92.476","0.002","97.574","0.002","3382.1","0.2","120","2","120.02","","","","","","","","","5","P -1","-P 1","2","","","","- C136 H94 Mn4 N32 O18 -","- C136 H94 Mn4 N32 O18 -","- C136 H94 Mn4 N32 O18 -","1","0.5","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","0.71073","MoKα","","0.126","0.0817","","","0.2608","0.2928","","","","","","1.094","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134695","20.6977","0.0009","20.6977","0.0009","14.1093","0.0007","90","","90","","120","","5234.6","0.4","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C60 H120 N16 P4 U -","- C60 H120 N16 P4 U -","- C180 H360 N48 P12 U3 -","3","0.333333","","Rice, Natalie T.; McCabe, Karl; Bacsa, John; Maron, Laurent; La Pierre, Henry S.","Two-Electron Oxidative Atom Transfer at a Homoleptic, Tetravalent Uranium Complex.","Journal of the American Chemical Society","2020","142","16","7368","7373","10.1021/jacs.0c02693","","","0.71073","MoKα","","0.0579","0.057","","","0.1453","0.1469","","","","","","1.059","","","","has coordinates","251462","2020-10-21","18:00:00",""
"4134696","20.77","0.003","20.77","0.003","13.975","0.002","90","","90","","120","","5221","1.3","103.58","","103.58","","","","","","","","","6","R 3 :H","R 3","146","","","","- C60 H120 N16 O P4 U -","- C60 H120 N16 O P4 U -","- C180 H360 N48 O3 P12 U3 -","3","0.333333","","Rice, Natalie T.; McCabe, Karl; Bacsa, John; Maron, Laurent; La Pierre, Henry S.","Two-Electron Oxidative Atom Transfer at a Homoleptic, Tetravalent Uranium Complex.","Journal of the American Chemical Society","2020","142","16","7368","7373","10.1021/jacs.0c02693","","","0.71073","MoKα","","0.0651","0.0605","","","0.1498","0.1561","","","","","","1.101","","","","has coordinates","251462","2020-10-21","18:00:00",""
"4134697","14.9753","0.0017","22.266","0.003","47.714","0.006","90","","97.018","0.005","90","","15791","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H131 N17 P4 U -","- C69 H131 N17 P4 U -","- C552 H1048 N136 P32 U8 -","8","2","","Rice, Natalie T.; McCabe, Karl; Bacsa, John; Maron, Laurent; La Pierre, Henry S.","Two-Electron Oxidative Atom Transfer at a Homoleptic, Tetravalent Uranium Complex.","Journal of the American Chemical Society","2020","142","16","7368","7373","10.1021/jacs.0c02693","","","0.71073","MoKα","","0.0693","0.0534","","","0.122","0.1312","","","","","","1.035","","","","has coordinates,has disorder","251462","2020-10-21","18:00:00",""
"4134698","6.43","0.0001","12.1818","0.0001","25.8958","0.0002","90","","96.497","0.001","90","","2015.36","0.04","200","0.1","200","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N O -","- C26 H23 N O -","- C104 H92 N4 O4 -","4","1","","Lu, Zhiwu; Hu, Xu-Dong; Zhang, Hui; Zhang, Xiao-Wen; Cai, Jinhui; Usman, Muhammad; Cong, Hengjiang; Liu, Wen-Bo","Enantioselective Assembly of Cycloenones with a Nitrile-Containing All-Carbon Quaternary Center from Malononitriles Enabled by Ni Catalysis.","Journal of the American Chemical Society","2020","142","16","7328","7333","10.1021/jacs.0c02075","","x-ray","1.54184","CuKα","","0.0409","0.0394","","","0.1009","0.102","","","","","","1.026","","","","has coordinates","251447","2020-10-21","18:00:00",""
"4134699","23.866","0.002","6.6629","0.0006","13.5743","0.0011","90","","94.136","0.003","90","","2152.9","0.3","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H20 Br N O -","- C26 H20 Br N O -","- C104 H80 Br4 N4 O4 -","4","1","","Lu, Zhiwu; Hu, Xu-Dong; Zhang, Hui; Zhang, Xiao-Wen; Cai, Jinhui; Usman, Muhammad; Cong, Hengjiang; Liu, Wen-Bo","Enantioselective Assembly of Cycloenones with a Nitrile-Containing All-Carbon Quaternary Center from Malononitriles Enabled by Ni Catalysis.","Journal of the American Chemical Society","2020","142","16","7328","7333","10.1021/jacs.0c02075","","","1.54178","CuKα","","0.0331","0.0324","","","0.0863","0.0874","","","","","","1.045","","","","has coordinates","251447","2020-10-21","18:00:00",""
"4134700","12.657","0.004","12.75","0.004","13.869","0.005","108.039","0.001","115.597","0.008","93.053","0.003","1873","1.1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H31 B Cl2 N8 O -","- C45 H31 B Cl2 N8 O -","- C90 H62 B2 Cl4 N16 O2 -","2","1","","Winterfeld, Kim A.; Lavarda, Giulia; Yoshida, Kota; Bayerlein, Maximilian J.; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni","Synthesis and Optical Features of Axially and Peripherally Substituted Subporphyrins. A Paradigmatic Example of Charge Transfer versus Exciplex States.","Journal of the American Chemical Society","2020","142","17","7920","7929","10.1021/jacs.0c01646","","","1.54187","CuKα","","0.0909","0.0597","","","0.1714","0.1878","","","","","","1.064","","","","has coordinates,has disorder","251437","2020-10-21","18:00:00",""
"4134701","11.0129","0.0014","13.4588","0.0016","15.067","0.002","108.158","0.006","90.077","0.007","94.144","0.006","2115.8","0.5","270","2","270","2","","","","","","","","5","P -1","-P 1","2","SubPTCBDaniline_axial_E2","","","- C49.5 H32 B Cl N8 -","- C49.5 H32 B Cl N8 -","- C99 H64 B2 Cl2 N16 -","2","1","","Winterfeld, Kim A.; Lavarda, Giulia; Yoshida, Kota; Bayerlein, Maximilian J.; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni","Synthesis and Optical Features of Axially and Peripherally Substituted Subporphyrins. A Paradigmatic Example of Charge Transfer versus Exciplex States.","Journal of the American Chemical Society","2020","142","17","7920","7929","10.1021/jacs.0c01646","","","0.71073","MoKα","","0.2096","0.0977","","","0.2772","0.3459","","","","","","1.024","","","","has coordinates","251437","2020-10-21","18:00:00",""
"4134702","10.6906","0.0002","12.2749","0.0002","28.911","0.0006","90","","92.992","0.002","90","","3788.7","0.12","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H31 B N8 -","- C49 H31 B N8 -","- C196 H124 B4 N32 -","4","1","","Winterfeld, Kim A.; Lavarda, Giulia; Yoshida, Kota; Bayerlein, Maximilian J.; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni","Synthesis and Optical Features of Axially and Peripherally Substituted Subporphyrins. A Paradigmatic Example of Charge Transfer versus Exciplex States.","Journal of the American Chemical Society","2020","142","17","7920","7929","10.1021/jacs.0c01646","","","1.54184","CuKα","","0.0685","0.0509","","","0.1416","0.1533","","","","","","1.046","","","","has coordinates","251437","2020-10-21","18:00:00",""
"4134703","4.4481","0.0002","14.2679","0.0006","20.974","0.0012","90","","92.061","0.002","90","","1330.25","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Cl2 N O -","- C15 H11 Cl2 N O -","- C60 H44 Cl8 N4 O4 -","4","1","","Cui, Wen-Jun; Wu, Zhi-Jie; Gu, Qing; You, Shu-Li","Divergent Synthesis of Tunable Cyclopentadienyl Ligands and Their Application in Rh-Catalyzed Enantioselective Synthesis of Isoindolinone.","Journal of the American Chemical Society","2020","142","16","7379","7385","10.1021/jacs.0c02813","","","0.71073","MoKα","","0.0466","0.0375","","","0.0901","0.0976","","","","","","1.019","","","","has coordinates","251448","2020-10-21","18:00:00",""
"4134704","13.4491","0.0011","16.3991","0.0014","20.2594","0.0015","90","","90","","90","","4468.3","0.6","125","2","125","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Cp2TitBuNCHNtBuOTf","","","- C20 H29 F3 N2 O3 S Ti -","- C20 H29 F3 N2 O3 S Ti -","- C160 H232 F24 N16 O24 S8 Ti8 -","8","1","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0684","0.0499","","","0.0984","0.1054","","","","","","1.073","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134705","15.4192","0.0007","8.5253","0.0004","14.8104","0.0007","90","","112.358","0.002","90","","1800.52","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cp2TitBuNCNtBu","","","- C19 H28 N2 Ti -","- C19 H28 N2 Ti -","- C76 H112 N8 Ti4 -","4","1","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0349","0.0287","","","0.0771","0.0803","","","","","","1.042","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134706","10.6267","0.0005","13.3909","0.0006","23.1232","0.0011","90","","101.037","0.002","90","","3229.6","0.3","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cp2TiCyNCNCyTiCp2","","","- C39 H48 N2 O0 Ti2 -","- C39 H48 N2 Ti2 -","- C156 H192 N8 Ti8 -","4","1","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0763","0.0621","","","0.1507","0.1598","","","","","","1.082","","","","has coordinates,has disorder","251439","2020-10-21","18:00:00",""
"4134707","10.4518","0.0016","19.916","0.003","21.075","0.003","99.063","0.006","104.113","0.007","90.366","0.005","4196.8","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Cp4Ti2CyNCNCy","","","- C33 H42 N2 Ti2 -","- C33 H42 N2 Ti2 -","- C198 H252 N12 Ti12 -","6","3","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0872","0.0731","","","0.1747","0.1806","","","","","","1.186","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134708","11.7346","0.0007","30.286","0.002","15.7125","0.0011","90","","107.969","0.003","90","","5311.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cp2TiTEMPO2","","","- C28 H46 N2 O2 Ti -","- C28 H46 N2 O2 Ti -","- C224 H368 N16 O16 Ti8 -","8","2","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.114","0.0573","","","0.1239","0.1461","","","","","","1.018","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134709","14.933","0.006","8.546","0.003","15.746","0.005","90","","114.223","0.013","90","","1832.5","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cp2TitBuNCHNtBu","","","- C19 H29 N2 Ti -","- C19 H29 N2 Ti -","- C76 H116 N8 Ti4 -","4","1","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0877","0.0508","","","0.1016","0.1155","","","","","","1.034","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134710","15.4482","0.0005","11.305","0.0004","10.4848","0.0004","90","","90","","90","","1831.09","0.11","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cp2TitBuNCSNtBu","","","- C19 H28 N2 S Ti -","- C19 H28 N2 S Ti -","- C76 H112 N8 S4 Ti4 -","4","0.5","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0357","0.0283","","","0.0696","0.0755","","","","","","1.084","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134711","12.38233","0.00011","12.66874","0.00012","7.66215","0.00006","90","","90","","90","","1201.95","0.018","300","","300","","","","","","","","","4","P n 21 m","P -2 -2bc","31","","","","- Li0.687 Nb5 O15 Pb2.157 -","- Li0.685 Nb5 O15 Pb2.1565 -","- Li2.74 Nb20 O60 Pb8.626 -","4","1","","Lin, Kun; Gong, Pifu; Chu, Shihang; Li, Qiang; Lin, Zheshuai; Wu, Hui; Wang, Qingxiao; Wang, Jinguo; Kim, Moon J.; Kato, Kenichi; Wang, Chin-Wei; Liu, Xinzhi; Huang, Qingzhen; Chen, Jun; Zhu, He; Deng, Jinxia; Xing, Xianran","Strong Second Harmonic Generation in a Tungsten Bronze Oxide by Enhancing Local Structural Distortion.","Journal of the American Chemical Society","2020","142","16","7480","7486","10.1021/jacs.0c00133","powder diffraction","neutron","2.0775","neutron","","0.088","0.0787","","0.0653","0.0629","","","","2.13","","","","","","","has coordinates","251452","2020-10-21","18:00:00",""
"4134712","8.9632","0.0019","8.3819","0.0019","12.045","0.004","90","","107.15","0.03","90","","864.7","0.4","299","2","299","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 F O4 -","- C20 H17 F O4 -","- C40 H34 F2 O8 -","2","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.54178","CuKα","","0.0526","0.0473","","","0.1274","0.1334","","","","","","1.061","","","","has coordinates","251442","2020-10-21","18:00:00",""
"4134713","29.794","0.002","19.1363","0.0013","16.7518","0.0011","90","","113.055","0.002","90","","8788.1","1","288","2","288","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C82 H106 Cl O14 P2 Pd2 -","- C82 H106 Cl O14 P2 Pd2 -","- C328 H424 Cl4 O56 P8 Pd8 -","4","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.54178","CuKα","","0.0722","0.0535","","","0.138","0.1619","","","","","","1.089","","","","has coordinates","251442","2020-10-21","18:00:00",""
"4134714","11.6485","0.0003","7.7932","0.0002","11.8264","0.0003","90","","115.44","0.001","90","","969.49","0.04","301","2","301","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C48 H44 O8 -","2","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.54178","CuKα","","0.038","0.0339","","","0.0917","0.0961","","","","","","1.041","","","","has coordinates","251442","2020-10-21","18:00:00",""
"4134715","8.4534","0.0002","8.7745","0.0002","26.1457","0.0006","90","","90","","90","","1939.34","0.08","302","2","301.97","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 O5 -","- C23 H20 O5 -","- C92 H80 O20 -","4","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.34139","GaKα","","0.0472","0.0417","","","0.0959","0.0999","","","","","","1.052","","","","has coordinates","251442","2020-10-21","18:00:00",""
"4134716","9.9875","0.0001","11.3241","0.0001","46.9874","0.0003","90","","90","","90","","5314.25","0.08","100","0.3","100","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 N O3 S -","- C32 H31 N O3 S -","- C256 H248 N8 O24 S8 -","8","2","","Hong, Feng-Lin; Chen, Yang-Bo; Ye, Si-Han; Zhu, Guang-Yu; Zhu, Xin-Qi; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Copper-Catalyzed Asymmetric Reaction of Alkenyl Diynes with Styrenes by Formal [3 + 2] Cycloaddition via Cu-Containing All-Carbon 1,3-Dipoles: Access to Chiral Pyrrole-Fused Bridged [2.2.1] Skeletons.","Journal of the American Chemical Society","2020","142","16","7618","7626","10.1021/jacs.0c01918","","x-ray","1.54184","CuKα","","0.0356","0.0348","","","0.0871","0.0876","","","","","","1.049","","","","has coordinates","251455","2020-10-21","18:00:00",""
"4134717","9.7618","0.0001","10.0699","0.0001","12.2302","0.0001","90","","101.541","0.001","90","","1177.93","0.02","99.8","0.9","99.8","0.9","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H27 N O3 S -","- C29 H27 N O3 S -","- C58 H54 N2 O6 S2 -","2","1","","Hong, Feng-Lin; Chen, Yang-Bo; Ye, Si-Han; Zhu, Guang-Yu; Zhu, Xin-Qi; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Copper-Catalyzed Asymmetric Reaction of Alkenyl Diynes with Styrenes by Formal [3 + 2] Cycloaddition via Cu-Containing All-Carbon 1,3-Dipoles: Access to Chiral Pyrrole-Fused Bridged [2.2.1] Skeletons.","Journal of the American Chemical Society","2020","142","16","7618","7626","10.1021/jacs.0c01918","","x-ray","1.54184","CuKα","","0.0272","0.0265","","","0.0671","0.0675","","","","","","1.031","","","","has coordinates","251455","2020-10-21","18:00:00",""
"4134718","8.5056","0.0001","13.3487","0.0003","25.1954","0.0005","90","","90","","90","","2860.65","0.09","99.9","0.9","99.9","0.9","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 N O3 S -","- C35 H33 N O3 S -","- C140 H132 N4 O12 S4 -","4","1","","Hong, Feng-Lin; Chen, Yang-Bo; Ye, Si-Han; Zhu, Guang-Yu; Zhu, Xin-Qi; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Copper-Catalyzed Asymmetric Reaction of Alkenyl Diynes with Styrenes by Formal [3 + 2] Cycloaddition via Cu-Containing All-Carbon 1,3-Dipoles: Access to Chiral Pyrrole-Fused Bridged [2.2.1] Skeletons.","Journal of the American Chemical Society","2020","142","16","7618","7626","10.1021/jacs.0c01918","","x-ray","1.54184","CuKα","","0.0665","0.0619","","","0.1546","0.1688","","","","","","1.136","","","","has coordinates","251455","2020-10-21","18:00:00",""
"4134719","17.4434","0.0012","5.892","0.0003","14.9985","0.001","90","","97.462","0.003","90","","1528.44","0.17","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 O3 P -","- C18 H15 O3 P -","- C72 H60 O12 P4 -","4","1","","Walton, Finlay; Bolling, John; Farrell, Andrew; MacEwen, Jamie; Syme, Christopher D.; Jiménez, Mario González; Senn, Hans M.; Wilson, Claire; Cinque, Gianfelice; Wynne, Klaas","Polyamorphism Mirrors Polymorphism in the Liquid-Liquid Transition of a Molecular Liquid.","Journal of the American Chemical Society","2020","142","16","7591","7597","10.1021/jacs.0c01712","","","0.71073","MoKα","","0.0509","0.0438","","","0.1036","0.1069","","","","","","1.07","","","","has coordinates","251464","2020-10-21","18:00:00",""
"4134723","9.3693","0.0002","9.1331","0.0002","12.3504","0.0002","90","","107.386","0.002","90","","1008.55","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 Cl2 N O7 -","- C17 H27 Cl2 N O7 -","- C34 H54 Cl4 N2 O14 -","2","1","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0278","0.0274","","","0.0743","0.0745","","","","","","1.05","","","","has coordinates","251465","2020-10-21","18:00:00",""
"4134724","31.4309","0.0009","12.0536","0.0003","25.2006","0.0008","90","","118.833","0.004","90","","8363.8","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H26 Cl2 N O7.5 -","- C17 H26 Cl2 N O7.5 -","- C272 H416 Cl32 N16 O120 -","16","2","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0724","0.0652","","","0.1761","0.1817","","","","","","1.058","","","","has coordinates,has disorder","251465","2020-10-21","18:00:00",""
"4134725","10.4482","0.0004","10.733","0.0004","10.9047","0.0004","91.558","0.002","113.438","0.002","118.425","0.002","950.51","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H25 Cl2 N O7 -","- C17 H25 Cl2 N O7 -","- C34 H50 Cl4 N2 O14 -","2","1","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0505","0.0358","","","0.0773","0.0834","","","","","","1.061","","","","has coordinates","251465","2020-10-21","18:00:00",""
"4134726","24.6919","0.0015","7.6839","0.0004","9.7357","0.0006","90","","91.381","0.006","90","","1846.62","0.19","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H25 N O8 -","- C17 H25 N O8 -","- C68 H100 N4 O32 -","4","1","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0352","0.0338","","","0.0855","0.0864","","","","","","1.063","","","","has coordinates","251465","2020-10-21","18:00:00",""
"4134727","9.6479","0.0001","19.6056","0.0003","37.8797","0.0005","90","","90","","90","","7165.05","0.16","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H22 Cl2 N O5 -","- C16 H22 Cl2 N O5 -","- C256 H352 Cl32 N16 O80 -","16","2","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0359","0.032","","","0.0868","0.0895","","","","","","1.043","","","","has coordinates","251465","2020-10-21","18:00:00",""
"4134728","10.975","0.002","11.916","0.002","17.67","0.003","92.41","0.004","98.443","0.004","103.385","0.004","2216.8","0.7","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H15 Al F36 O4 S2 -","- C34 H15 Al F36 O4 S2 -","- C68 H30 Al2 F72 O8 S4 -","2","1","","Tang, Shuxuan; Zhang, Li; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","A Magnetically Robust Triplet Ground State Sulfur-Hydrocarbon Diradical Dication.","Journal of the American Chemical Society","2020","142","16","7340","7344","10.1021/jacs.0c02141","","","0.71073","MoKα","","0.0802","0.053","","","0.1258","0.1416","","","","","","1.046","","","","has coordinates","251466","2020-10-21","18:00:00",""
"4134729","11.8539","0.0004","11.8577","0.0004","11.8905","0.0004","67.399","0.001","74.886","0.001","81.448","0.001","1487.4","0.09","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H30 S4 -","- C36 H30 S4 -","- C72 H60 S8 -","2","1","","Tang, Shuxuan; Zhang, Li; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","A Magnetically Robust Triplet Ground State Sulfur-Hydrocarbon Diradical Dication.","Journal of the American Chemical Society","2020","142","16","7340","7344","10.1021/jacs.0c02141","","","1.34139","GaKα","","0.0354","0.0306","","","0.0806","0.084","","","","","","1.026","","","","has coordinates,has disorder","251466","2020-10-21","18:00:00",""
"4134730","21.5825","0.0009","10.977","0.0006","30.8704","0.0013","90","","98.337","0.002","90","","7236.3","0.6","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H46 Al F36 O4 S4 -","- C66 H46 Al F36.0005 O4 S4 -","- C264 H184 Al4 F144.002 O16 S16 -","4","1","","Tang, Shuxuan; Zhang, Li; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","A Magnetically Robust Triplet Ground State Sulfur-Hydrocarbon Diradical Dication.","Journal of the American Chemical Society","2020","142","16","7340","7344","10.1021/jacs.0c02141","","","0.71073","MoKα","","0.1341","0.0841","","","0.2027","0.2323","","","","","","1.039","","","","has coordinates,has disorder","251466","2020-10-21","18:00:00",""
"4134731","10.3835","0.0007","11.9083","0.0008","13.5373","0.001","80.634","0.004","88.346","0.004","76.95","0.004","1608.9","0.2","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H54 F24 N6 P4 -","- C68 H54 F24 N6 P4 -","- C68 H54 F24 N6 P4 -","1","0.5","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","0.71073","MoKα","","0.0589","0.0435","","","0.1069","0.1165","","","","","","1.024","","","","has coordinates,has disorder","251441","2020-10-21","18:00:00",""
"4134732","7.2668","0.0016","12.68","0.003","20.209","0.007","80.52","0.03","84.99","0.02","87.23","0.02","1828.6","0.9","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H64 F24 N6 P4 -","- C82 H64 F24 N6 P4 -","- C82 H64 F24 N6 P4 -","1","0.5","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","1.54178","CuKα","","0.2287","0.1461","","","0.3218","0.3735","","","","","","1.096","","","","has coordinates","251441","2020-10-21","18:00:00",""
"4134733","41.838","0.006","12.659","0.0019","29.003","0.004","90","","94.518","0.003","90","","15313","4","100","2","100.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H54 F24 N6 P4 -","- C68 H54 F24 N6 P4 -","- C544 H432 F192 N48 P32 -","8","1","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","0.71073","MoKα","","0.1516","0.1223","","","0.3618","0.3937","","","","","","1.573","","","","has coordinates","251441","2020-10-21","18:00:00",""
"4134734","12.0098","0.0009","34.634","0.003","39.679","0.003","90","","90","","90","","16504","2","100","2","100","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C68 H54 F24 N6 P4 -","- C68 H54 F24 N6 P4 -","- C544 H432 F192 N48 P32 -","8","0.5","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","1.54178","CuKα","","0.0903","0.0752","","","0.204","0.2162","","","","","","1.044","","","","has coordinates,has disorder","251441","2020-10-21","18:00:00",""
"4134735","11.9331","0.0007","14.1803","0.0009","42.533","0.002","90","","90","","90","","7197.2","0.7","100","2","99.98","","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C65 H49.5 F24 N4.5 P4 -","- C65 H49.5 F24 N4.5 P4 -","- C260 H198 F96 N18 P16 -","4","1","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","1.54178","CuKα","","0.2299","0.1971","","","0.4554","0.4836","","","","","","1.717","","","","has coordinates,has disorder","251441","2020-10-21","18:00:00",""
"4134743","11.483","0.002","11.901","0.002","18.093","0.004","90.88","0.03","96.38","0.03","91.6","0.03","2455.9","0.8","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H43 F18 N13 P3 V -","- C40 H43 F18 N13 P3 V -","- C80 H86 F36 N26 P6 V2 -","2","1","","Dorn, Matthias; Kalmbach, Jens; Boden, Pit; Päpcke, Ayla; Gómez, Sandra; Förster, Christoph; Kuczelinis, Felix; Carrella, Luca M.; Büldt, Laura A; Bings, Nicolas H.; Rentschler, Eva; Lochbrunner, Stefan; González, Leticia; Gerhards, Markus; Seitz, Michael; Heinze, Katja","A Vanadium(III) Complex with Blue and NIR-II Spin-Flip Luminescence in Solution.","Journal of the American Chemical Society","2020","142","17","7947","7955","10.1021/jacs.0c02122","","","0.71073","MoKα","","0.0548","0.0409","","","0.106","0.1126","","","","","","1.028","","","","has coordinates,has disorder","251438","2020-10-21","18:00:00",""
"4134744","19.6982","0.0013","18.6978","0.0013","20.3197","0.0014","90","","90","","90","","7484","0.9","100","2","100.03","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38.88 H51.66 Ni P2 S Si -","- C38.884 H51.652 Ni P2 S Si -","- C311.072 H413.216 Ni8 P16 S8 Si8 -","8","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","0.71073","MoKα","","0.0547","0.0355","","","0.0793","0.0866","","","","","","1.02","","","","has coordinates","251440","2020-10-21","18:00:00",""
"4134745","10.579","0.0004","26.7073","0.0009","13.485","0.0005","90","","96.329","0.001","90","","3786.8","0.2","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 K Ni P2 S Si -","- C36 H45 K Ni P2 S Si -","- C144 H180 K4 Ni4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","0.71073","MoKα","","0.0429","0.0319","","","0.0739","0.0782","","","","","","1.023","","","","has coordinates,has disorder","251440","2020-10-21","18:00:00",""
"4134746","16.5609","0.0017","19.0517","0.001","24.6555","0.0018","90","","108.276","0.004","90","","7386.7","1","100","2","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H52 N Ni O P2 S Si -","- C40 H52 N Ni O P2 S Si -","- C320 H416 N8 Ni8 O8 P16 S8 Si8 -","8","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","0.71073","MoKα","","0.063","0.0441","","","0.0901","0.0972","","","","","","1.067","","","","has coordinates","251440","2020-10-21","18:00:00",""
"4134747","10.6333","0.0009","23.759","0.004","13.7441","0.0013","90","","107.008","0.006","90","","3320.4","0.7","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Ni P2 S Si -","- C36 H44 Ni P2 S Si -","- C144 H176 Ni4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","1.54178","CuKα","","0.0597","0.0511","","","0.1213","0.1255","","","","","","1.153","","","","has coordinates","251440","2020-10-21","18:00:00",""
"4134748","11.6307","0.0006","24.5754","0.0012","17.3135","0.0007","90","","103.426","0.002","90","","4813.5","0.4","100","2","100.02","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H57 Li Ni O P2 S Si -","- C41 H57 Li Ni O P2 S Si -","- C164 H228 Li4 Ni4 O4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","0.71073","MoKα","","0.0927","0.0665","","","0.1457","0.1564","","","","","","1.059","","","","has coordinates,has disorder","251440","2020-10-21","18:00:00",""
"4134749","12.5356","0.0008","17.6421","0.0011","15.1447","0.0016","90","","91.473","0.005","90","","3348.2","0.5","100","2","100.02","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36.87 H46.6 N0.26 Ni P2 S Si -","- C36.868 H46.604 N0.264 Ni P2 S Si -","- C147.472 H186.416 N1.056 Ni4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","1.54178","CuKα","","0.0459","0.0352","","","0.0868","0.0924","","","","","","1.023","","","","has coordinates,has disorder","251440","2020-10-21","18:00:00",""
"4134750","26.428","0.005","34.545","0.007","48.902","0.01","79.82","0.03","85.36","0.03","78.09","0.03","42951","16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C312 H210 Co6 F72 N72 O48 S24 -","- C296 H210 Co6 F24 N64 O16 S8 -","- C1184 H840 Co24 F96 N256 O64 S32 -","4","2","","Rizzuto, Felix J.; Nitschke, Jonathan R.","Narcissistic, Integrative, and Kinetic Self-Sorting within a System of Coordination Cages.","Journal of the American Chemical Society","2020","142","17","7749","7753","10.1021/jacs.0c02444","","","0.6889","Synchrotron","","0.2107","0.1698","","","0.3991","0.4249","","","","","","1.089","","","","has coordinates,has disorder","251444","2020-10-21","18:00:00",""
"4134757","15.6733","0.0003","23.5355","0.0004","26.0438","0.0004","90","","90","","90","","9607","0.3","100","0.1","100","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C94 H124 Al2 Cl4 Mn2 N4 O21 -","- C94 H124 Al2 Cl4 Mn2 N4 O21 -","- C376 H496 Al8 Cl16 Mn8 N16 O84 -","4","1","","Lamb, Jessica R.; Hubbell, Aran K.; MacMillan, Samantha N.; Coates, Geoffrey W.","Carbonylative, Catalytic Deoxygenation of 2,3-Disubstituted Epoxides with Inversion of Stereochemistry: An Alternative Alkene Isomerization Method.","Journal of the American Chemical Society","2020","142","17","8029","8035","10.1021/jacs.0c02653","","x-ray","0.71073","MoKα","","0.045","0.0404","","","0.1021","0.1044","","","","","","1.021","","","","has coordinates,has disorder","251443","2020-10-21","18:00:00",""
"4134758","7.0319","0.0004","8.2216","0.0003","22.6065","0.0012","100.434","0.004","91.333","0.005","93.497","0.004","1282.17","0.11","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 O2 Si -","- C20 H20 O2 Si -","- C40 H40 O4 Si2 -","2","1","","Tang, Jinghua; Liu, Liu Leo; Yang, Shangru; Cong, Xuefeng; Luo, Meiming; Zeng, Xiaoming","Chemoselective Cross-Coupling between Two Different and Unactivated C(aryl)-O Bonds Enabled by Chromium Catalysis.","Journal of the American Chemical Society","2020","142","17","7715","7720","10.1021/jacs.0c00283","","x-ray","0.71073","MoKα","","0.0911","0.0533","","","0.1321","0.1476","","","","","","0.978","","","","has coordinates,has disorder","251445","2020-10-21","18:00:00",""
"4134868","20.4511","0.0003","20.4511","0.0003","25.0437","0.0007","90","","90","","120","","9071.2","0.3","253","2","253","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C64 H128 La4 N32 O80 Rb4 -","- C68 H40 La4 N28 O79.9992 Rb4 -","- C204 H120 La12 N84 O239.998 Rb12 -","3","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0923","0.0878","","","0.1714","0.1732","","","","","","1.144","","","","has coordinates,has disorder","252617","2020-10-21","18:00:00",""
"4134869","14.502","","14.502","","14.502","","90","","90","","90","","3049.89","","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C16 H34 La N8 O20 Rb -","- C17 H13.9999 La N7 O19.9998 Rb -","- C68 H55.9996 La4 N28 O79.9992 Rb4 -","4","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0604","0.0537","","","0.1398","0.1426","","","","","","1.231","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134870","14.549","","14.549","","14.549","","90","","90","","90","","3079.64","","350","2","350","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C16 H34 La N8 O20 Rb -","- C17 H13.9999 La N7 O19.9998 Rb -","- C68 H55.9996 La4 N28 O79.9992 Rb4 -","4","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0616","0.0535","","","0.1382","0.1417","","","","","","1.107","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134871","20.5225","0.0005","20.5225","0.0005","25.052","0.0007","90","","90","","120","","9137.6","0.4","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C64 H128 La4 N33.33 O80 -","- C68 H40 La4 N32 O79.9992 -","- C204 H120 La12 N96 O239.998 -","3","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0789","0.0729","","","0.1843","0.1867","","","","","","1.583","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134872","14.5479","0.0001","14.5479","0.0001","14.5479","0.0001","90","","90","","90","","3078.94","0.04","353","2","353","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C16 H36 La N9 O20 -","- C14 H13 La N8 O19.9998 -","- C56 H52 La4 N32 O79.9992 -","4","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0558","0.0489","","","0.1298","0.1355","","","","","","1.088","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134900","11.0535","0.0008","13.1232","0.0008","12.7009","0.0009","90","","108.368","0.002","90","","1748.5","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 F6 I O2 -","- C16 H17 F6 I O2 -","- C64 H68 F24 I4 O8 -","4","1","","Ding, Wei; Chai, Jinkui; Wang, Chen; Wu, Junliang; Yoshikai, Naohiko","Stereoselective Access to Highly Substituted Vinyl Ethers via <i>trans</i>-Difunctionalization of Alkynes with Alcohols and Iodine(III) Electrophile.","Journal of the American Chemical Society","2020","142","19","8619","8624","10.1021/jacs.0c04140","","","0.71073","MoKα","","0.0544","0.0378","","","0.0749","0.09","","","","","","1.298","","","","has coordinates","252607","2020-10-21","18:00:00",""
"4134901","16.2807","0.0004","12.2181","0.0002","21.3944","0.0004","90","","90","","90","","4255.76","0.15","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18.5 H14 Cl F6 I O2 -","- C18.501 H14.002 Cl1.002 F6 I O2 -","- C148.008 H112.016 Cl8.016 F48 I8 O16 -","8","2","","Ding, Wei; Chai, Jinkui; Wang, Chen; Wu, Junliang; Yoshikai, Naohiko","Stereoselective Access to Highly Substituted Vinyl Ethers via <i>trans</i>-Difunctionalization of Alkynes with Alcohols and Iodine(III) Electrophile.","Journal of the American Chemical Society","2020","142","19","8619","8624","10.1021/jacs.0c04140","","","0.71073","MoKα","","0.1518","0.088","","","0.1499","0.174","","","","","","1.104","","","","has coordinates,has disorder","252607","2020-10-21","18:00:00",""
"4134902","7.442","0.0003","11.8848","0.0005","12.5542","0.0005","116.944","0.0013","95.0969","0.0014","102.62","0.0015","943.14","0.07","174","2","174","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 F6 I O2 Si -","- C15 H17 F6 I O2 Si -","- C30 H34 F12 I2 O4 Si2 -","2","1","","Ding, Wei; Chai, Jinkui; Wang, Chen; Wu, Junliang; Yoshikai, Naohiko","Stereoselective Access to Highly Substituted Vinyl Ethers via <i>trans</i>-Difunctionalization of Alkynes with Alcohols and Iodine(III) Electrophile.","Journal of the American Chemical Society","2020","142","19","8619","8624","10.1021/jacs.0c04140","","","0.71073","MoKα","","0.0411","0.0302","","","0.0512","0.0556","","","","","","1.064","","","","has coordinates","252607","2020-10-21","18:00:00",""
"4134903","15.095","0.0004","12.5082","0.0003","20.9361","0.0005","90","","105.178","0.0009","90","","3815.08","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 F6 I O2 -","- C19 H15 F6 I O2 -","- C152 H120 F48 I8 O16 -","8","2","","Ding, Wei; Chai, Jinkui; Wang, Chen; Wu, Junliang; Yoshikai, Naohiko","Stereoselective Access to Highly Substituted Vinyl Ethers via <i>trans</i>-Difunctionalization of Alkynes with Alcohols and Iodine(III) Electrophile.","Journal of the American Chemical Society","2020","142","19","8619","8624","10.1021/jacs.0c04140","","","0.71073","MoKα","","0.0632","0.0431","","","0.0606","0.0657","","","","","","1.136","","","","has coordinates","252607","2020-10-21","18:00:00",""
"4134907","24.8897","0.0002","50.19","0.0003","90.1828","0.0004","90","","90","","90","","112658","1.2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C438 H420 Cd6 F36 N60 O60 S12 -","- C433.71 H420 Cd6 F23.13 N60 O47.13 S7.71 -","- C3469.68 H3360 Cd48 F185.04 N480 O377.04 S61.68 -","8","1","","Zhang, Dawei; Ronson, Tanya K.; Xu, Lin; Nitschke, Jonathan R.","Transformation Network Culminating in a Heteroleptic Cd<sub>6</sub>L<sub>6</sub>L'<sub>2</sub> Twisted Trigonal Prism.","Journal of the American Chemical Society","2020","142","20","9152","9157","10.1021/jacs.0c03798","","","0.6889","Synchrotron","","0.1742","0.1488","","","0.3915","0.4093","","","","","","1.172","","","","has coordinates,has disorder","252608","2020-10-21","18:00:00",""
"4134908","22.9361","0.0015","23.5657","0.0015","48.429","0.003","90.316","0.002","93.473","0.002","99.963","0.002","25731","3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C246.5 H171.75 Cd4 F24 N41.25 O36 S8 -","- C245.204 H170.25 Cd4 F20.1135 N41.25 O32.1135 S6.7045 -","- C980.818 H681 Cd16 F80.454 N165 O128.454 S26.818 -","4","2","","Zhang, Dawei; Ronson, Tanya K.; Xu, Lin; Nitschke, Jonathan R.","Transformation Network Culminating in a Heteroleptic Cd<sub>6</sub>L<sub>6</sub>L'<sub>2</sub> Twisted Trigonal Prism.","Journal of the American Chemical Society","2020","142","20","9152","9157","10.1021/jacs.0c03798","","","1.54178","CuKα","","0.1323","0.0948","","","0.2524","0.2837","","","","","","1.007","","","","has coordinates,has disorder","252608","2020-10-21","18:00:00",""
"4134909","18.925","0.004","19.158","0.004","48.752","0.01","90","","93.26","0.03","90","","17647","6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C164 H117 F24 Fe2 N25 O16 S8 -","- C161.946 H117 F17.838 Fe2 N23.968 O11.892 S5.946 -","- C647.784 H468 F71.352 Fe8 N95.872 O47.568 S23.784 -","4","1","","Zhang, Dawei; Ronson, Tanya K.; Xu, Lin; Nitschke, Jonathan R.","Transformation Network Culminating in a Heteroleptic Cd<sub>6</sub>L<sub>6</sub>L'<sub>2</sub> Twisted Trigonal Prism.","Journal of the American Chemical Society","2020","142","20","9152","9157","10.1021/jacs.0c03798","","","0.6889","Synchrotron","","0.1659","0.1303","","","0.3425","0.3686","","","","","","1.012","","","","has coordinates,has disorder","252608","2020-10-21","18:00:00",""
"4134913","10.17","0.005","18.68","0.005","10.35","0.005","90","","101.22","0.05","90","","1928.7","1.5","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C17 H15 Cu N3 O5 -","- C17 H15 Cu N3 O5 -","- C68 H60 Cu4 N12 O20 -","4","0.5","","Ortín-Rubio, Borja; Ghasempour, Hosein; Guillerm, Vincent; Morsali, Ali; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-Clipping: An Approach to Deduce the Topology of Metal-Organic Frameworks Built with Zigzag Ligands.","Journal of the American Chemical Society","2020","142","20","9135","9140","10.1021/jacs.0c03404","","","0.82653","synchrotron","","0.0592","0.0566","","","0.1754","0.1785","","","","","","1.125","","","","has coordinates,has disorder","252609","2020-10-21","18:00:00",""
"4134914","17.29","0.005","17.43","0.005","24.11","0.005","90","","91.22","0.05","90","","7264","3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10.5 H6 O4.5 Tb0.75 -","- C10.5 H6 O4.5 Tb0.75 -","- C168 H96 O72 Tb12 -","16","4","","Ortín-Rubio, Borja; Ghasempour, Hosein; Guillerm, Vincent; Morsali, Ali; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-Clipping: An Approach to Deduce the Topology of Metal-Organic Frameworks Built with Zigzag Ligands.","Journal of the American Chemical Society","2020","142","20","9135","9140","10.1021/jacs.0c03404","","","0.82653","synchrotron","","0.044","0.042","","","0.1244","0.1262","","","","","","1.091","","","","has coordinates","252609","2020-10-21","18:00:00",""
"4134915","6.9388","0.0002","15.0508","0.0003","32.586","0.0008","90","","90","","90","","3403.1","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Br Cl N3 O -","- C17 H17 Br Cl N3 O -","- C136 H136 Br8 Cl8 N24 O8 -","8","2","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","1.54178","CuKα","","0.0585","0.0459","","","0.0949","0.0996","","","","","","1.047","","","","has coordinates","252610","2020-10-21","18:00:00",""
"4134916","7.0227","0.0003","15.3766","0.0006","15.8486","0.0006","90","","99.589","0.003","90","","1687.5","0.12","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H21 Br Cl N3 O -","- C16 H21 Br Cl N3 O -","- C64 H84 Br4 Cl4 N12 O4 -","4","2","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","1.54178","CuKα","","0.0668","0.0648","","","0.1692","0.1712","","","","","","1.159","","","","has coordinates","252610","2020-10-21","18:00:00",""
"4134917","9.7525","0.0002","10.9189","0.0002","11.7345","0.0002","115.117","0.0011","96.8758","0.0012","106.146","0.0011","1045.39","0.04","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H24 Br F3 O2 Si -","- C19.9995 H24 Br F2.9985 O2 Si -","- C39.999 H48 Br2 F5.997 O4 Si2 -","2","2","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","0.71073","MoKα","","0.0247","0.0234","","","0.0582","0.0587","","","","","","1.029","","","","has coordinates,has disorder","252610","2020-10-21","18:00:00",""
"4134918","31.216","0.003","8.4388","0.0008","8.5385","0.0008","90","","93.3905","0.0017","90","","2245.3","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H28 Br Cl N3 O1.5 -","- C23 H28 Br Cl N3 O1.5 -","- C92 H112 Br4 Cl4 N12 O6 -","4","1","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","0.71073","MoKα","","0.0377","0.0327","","","0.0621","0.0636","","","","","","1.042","","","","has coordinates,has disorder","252610","2020-10-21","18:00:00",""
"4134935","6.8955","0.0002","15.5594","0.0004","21.9079","0.0006","90","","90","","90","","2350.5","0.11","100.01","","100.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(5S*,10R*,12R*,14S*)-6-chloro-2-methyl-5,10-dihydro-1H-5,10-[2,3]epoxireno[1,2,4]triazolo[1,2-b]phthalazine-1,3(2H)-dione","","- C13 H10 Cl N3 O3 -","- C13 H10 Cl N3 O3 -","- C104 H80 Cl8 N24 O24 -","8","1","","Siddiqi, Zohaib; Wertjes, William C.; Sarlah, David","Chemical Equivalent of Arene Monooxygenases: Dearomative Synthesis of Arene Oxides and Oxepines.","Journal of the American Chemical Society","2020","142","22","10125","10131","10.1021/jacs.0c02724","","x-ray","0.71073","MoKα","","0.0418","0.0335","","","0.0788","0.0826","","","","","","1.099","","","","has coordinates,has disorder","257115","2020-10-21","18:00:00",""
"4134936","24.6871","0.0011","6.8296","0.0003","21.0493","0.0009","90","","119.699","0.001","90","","3082.8","0.2","99.99","","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(5R*,11S*,12S*,14R*)-4-chloro-8-methyl-2-(trifluoromethyl)-5,11-dihydro-7H-11,5-[2,3]epoxirenopyrido[2,3-d][1,2,4]triazolo[1,2-a]pyridazine-7,9(8H)-dione","","- C13.5 H9 Cl2 F3 N4 O3 -","- C13.5 H9 Cl2 F3 N4 O3 -","- C108 H72 Cl16 F24 N32 O24 -","8","1","","Siddiqi, Zohaib; Wertjes, William C.; Sarlah, David","Chemical Equivalent of Arene Monooxygenases: Dearomative Synthesis of Arene Oxides and Oxepines.","Journal of the American Chemical Society","2020","142","22","10125","10131","10.1021/jacs.0c02724","","x-ray","0.71073","MoKα","","0.0294","0.0283","","","0.073","0.074","","","","","","1.038","","","","has coordinates,has disorder","257115","2020-10-21","18:00:00",""
"4134937","7.8858","0.0002","6.0451","0.0002","8.4347","0.0003","90","","114.305","0.001","90","","366.45","0.02","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","benzo[d]oxepine","","- C10 H8 O -","- C10 H8 O -","- C20 H16 O2 -","2","0.5","","Siddiqi, Zohaib; Wertjes, William C.; Sarlah, David","Chemical Equivalent of Arene Monooxygenases: Dearomative Synthesis of Arene Oxides and Oxepines.","Journal of the American Chemical Society","2020","142","22","10125","10131","10.1021/jacs.0c02724","","x-ray","0.71073","MoKα","","0.043","0.0421","","","0.112","0.1126","","","","","","1.166","","","","has coordinates,has disorder","257115","2020-10-21","18:00:00",""
"4134938","7.5594","0.0007","15.3365","0.0014","7.7117","0.0007","90","","98.206","0.002","90","","884.9","0.14","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1aR*,2S*,8R*,8aS*)-5-methyl-1a,2,8,8a-tetrahydro-4H-2,8-ethenooxireno[2,3-d][1,2,4]triazolo[1,2-a]pyridazine-4,6(5H)-dione","","- C9 H9 N3 O3 -","- C9 H9 N3 O3 -","- C36 H36 N12 O12 -","4","1","","Siddiqi, Zohaib; Wertjes, William C.; Sarlah, David","Chemical Equivalent of Arene Monooxygenases: Dearomative Synthesis of Arene Oxides and Oxepines.","Journal of the American Chemical Society","2020","142","22","10125","10131","10.1021/jacs.0c02724","","x-ray","0.71073","MoKα","","0.0469","0.0418","","","0.1242","0.1306","","","","","","1.036","","","","has coordinates","257115","2020-10-21","18:00:00",""
"4134949","5.9297","0.0004","9.0915","0.0006","19.9795","0.0014","90","","90","","90","","1077.09","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","YCL2-14","","","- C10 H16 Br N O2 -","- C10 H16 Br N O2 -","- C40 H64 Br4 N4 O8 -","4","1","","Lin, You-Chen; Ribaucourt, Aubert; Moazami, Yasamin; Pierce, Joshua G.","Concise Synthesis and Antimicrobial Evaluation of the Guanidinium Alkaloid Batzelladine D: Development of a Stereodivergent Strategy.","Journal of the American Chemical Society","2020","142","21","9850","9857","10.1021/jacs.0c04091","","","0.71073","MoKα","","0.0342","0.0247","","","0.0521","0.0547","","","","","","1.031","","","","has coordinates","252613","2020-10-21","18:00:00",""
"4134950","12.8389","0.0005","11.5893","0.0004","11.69","0.0004","90","","90.6262","0.0012","90","","1739.3","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 N O2 Si -","- C15 H29 N O2 Si -","- C60 H116 N4 O8 Si4 -","4","1","","Lin, You-Chen; Ribaucourt, Aubert; Moazami, Yasamin; Pierce, Joshua G.","Concise Synthesis and Antimicrobial Evaluation of the Guanidinium Alkaloid Batzelladine D: Development of a Stereodivergent Strategy.","Journal of the American Chemical Society","2020","142","21","9850","9857","10.1021/jacs.0c04091","","","0.71073","MoKα","","0.045","0.0339","","","0.0843","0.0901","","","","","","1.029","","","","has coordinates","252613","2020-10-21","18:00:00",""
"4134951","30.5594","0.0014","30.5594","0.0014","25.331","0.003","90","","90","","120","","20487","3","173","","173","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C58 H38 I0 N0 O17 Zr3 -","- C58 H38 O17 Zr3 -","- C522 H342 O153 Zr27 -","9","0.5","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","1.54178","CuKα","","0.0845","0.0685","","","0.1814","0.204","","","","","","1.058","","","","has coordinates","252594","2020-10-21","18:00:00",""
"4134952","30.654","0.004","30.654","0.004","24.9","0.007","90","","90","","120","","20263","7","173","","173","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C42 H30 O17 Zr3 -","- C42 H30 O17 Zr3 -","- C378 H270 O153 Zr27 -","9","0.5","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","1.54178","CuKα","","0.0979","0.0543","","","0.1178","0.1356","","","","","","0.931","","","","has coordinates","252594","2020-10-21","18:00:00",""
"4134953","16.031","0.002","36.971","0.005","44.102","0.005","90","","90","","90","","26138","6","173","","173","","","","","","","","","4","F m m m","-F 2 2","69","","","","- C56 H30 O20 Zr3 -","- C56 H30 O20 Zr3 -","- C448 H240 O160 Zr24 -","8","0.25","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","0.71073","MoKα","","0.1093","0.0764","","","0.1983","0.2325","","","","","","1.064","","","","has coordinates","252594","2020-10-21","18:00:00",""
"4134954","18.1834","0.0015","33.744","0.002","34.489","0.002","90","","90","","90","","21162","2","173","","173","","","","","","","","","4","F m m m","-F 2 2","69","","","","- C40 H22 O20 Zr3 -","- C40 H22 O20 Zr3 -","- C320 H176 O160 Zr24 -","8","0.25","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","0.71073","MoKα","","0.0871","0.0547","","","0.172","0.1961","","","","","","1.128","","","","has coordinates","252594","2020-10-21","18:00:00",""
"4134955","13.2744","0.0003","14.5586","0.0004","16.0139","0.0005","74.834","0.003","76.745","0.002","81.664","0.002","2895.51","0.14","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H76 F6 N2 O13 -","- C58 H76 F6 N2 O13 -","- C116 H152 F12 N4 O26 -","2","1","","Tian, Chong; Fielden, Stephen D. P.; Pérez-Saavedra, Borja; Vitorica-Yrezabal, Iñigo J; Leigh, David A.","Single-Step Enantioselective Synthesis of Mechanically Planar Chiral [2]Rotaxanes Using a Chiral Leaving Group Strategy.","Journal of the American Chemical Society","2020","142","21","9803","9808","10.1021/jacs.0c03447","","x-ray","1.54184","CuKα","","0.0522","0.0455","","","0.1093","0.1132","","","","","","1.046","","","","has coordinates,has disorder","252611","2020-10-21","18:00:00",""
"4134956","31.6505","0.0013","31.6505","0.0013","28.6511","0.0015","90","","90","","120","","24856.1","1.9","150","2","150","2","","","","","","","","7","P -3 m 1","-P 3 2""","164","","","","- C468 H396 Cu24 N12 O278 S24 Zr24 -","- C468 H396 Cu24 N12 O278 S24 Zr24 -","- C468 H396 Cu24 N12 O278 S24 Zr24 -","1","0.0833333","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.0971","0.0707","","","0.1967","0.2236","","","","","","1.026","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134957","35.9458","0.0006","35.9458","0.0006","28.285","0.0007","90","","90","","90","","36547.1","1.2","150","2","150","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C300 H348 Cu24 N36 O204 S24 -","- C300 H348 Cu24 N36 O204 S24 -","- C600 H696 Cu48 N72 O408 S48 -","2","0.125","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.1094","0.0924","","","0.2624","0.298","","","","","","1.021","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134958","35.291","0.003","17.2056","0.0014","35.416","0.002","90","","117.236","0.004","90","","19120","3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C124 H120 F12 O52 S4 Zr12 -","- C124 H120 F12 O52 S4 Zr12 -","- C496 H480 F48 O208 S16 Zr48 -","4","1","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.1079","0.0898","","","0.2168","0.2295","","","","","","0.977","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134959","36.587","0.004","36.587","0.004","36.587","0.004","90","","90","","90","","48976","9","200","2","200","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C120 H120 Cl4 O40 Zr12 -","- C120 H120 Cl4.0002 O40 Zr12 -","- C960 H960 Cl32.0016 O320 Zr96 -","8","0.0416667","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.0905","0.0721","","","0.2016","0.2275","","","","","","1.076","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134960","43.599","0.004","43.599","0.004","43.599","0.004","90","","90","","90","","82876","13","103","2","103","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C400 H280 Cu24 O272 S24 Zr24 -","- C399.974 H279.974 Cu24 O272 S24 Zr24 -","- C1599.9 H1119.9 Cu96 O1088 S96 Zr96 -","4","0.0208333","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.2593","0.2023","","","0.5032","0.5595","","","","","","2.291","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134961","9.8817","0.0006","19.0615","0.0015","7.877","0.0005","90","","90","","90","","1483.71","0.17","190","2","189.96","","","","","","","","","8","C m m m","-C 2 2","65","","","","- C22 H26 Cu F6 N4 O4 S2 Si -","- C22 H26 Cu F6 N4 O4 S2 Si -","- C44 H52 Cu2 F12 N8 O8 S4 Si2 -","2","0.125","","Wang, Jun; Zhang, Yan; Zhang, Peixin; Hu, Jianbo; Lin, Rui-Biao; Deng, Qiang; Zeng, Zheling; Xing, Huabin; Deng, Shuguang; Chen, Banglin","Optimizing Pore Space for Flexible-Robust Metal-Organic Framework to Boost Trace Acetylene Removal.","Journal of the American Chemical Society","2020","142","21","9744","9751","10.1021/jacs.0c02594","","","1.34139","GaKα","","0.0751","0.0669","","","0.1928","0.2026","","","","","","1.078","","","","has coordinates,has disorder","252595","2020-10-21","18:00:00",""
"4134962","19.04","0.004","9.9063","0.0018","15.835","0.003","90","","90","","90","","2986.7","1","193","2","193","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C20 H28 Cu F6 N4 O6 S2 Si -","- C20 H28 Cu F6 N4 O6 S2 Si -","- C80 H112 Cu4 F24 N16 O24 S8 Si4 -","4","0.25","","Wang, Jun; Zhang, Yan; Zhang, Peixin; Hu, Jianbo; Lin, Rui-Biao; Deng, Qiang; Zeng, Zheling; Xing, Huabin; Deng, Shuguang; Chen, Banglin","Optimizing Pore Space for Flexible-Robust Metal-Organic Framework to Boost Trace Acetylene Removal.","Journal of the American Chemical Society","2020","142","21","9744","9751","10.1021/jacs.0c02594","","","1.34139","GaKα","","0.0862","0.0752","","","0.239","0.2579","","","","","","1.08","","","","has coordinates,has disorder","252595","2020-10-21","18:00:00",""
"4134963","8.9325","0.0002","10.847","0.0003","10.2984","0.0003","90","","96.103","0.001","90","","992.17","0.05","152","2","152","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H24 O3 -","- C25 H24 O3 -","- C50 H48 O6 -","2","1","","Wang, Huanan; Luo, Hongwen; Zhang, Zhan-Ming; Zheng, Wei-Feng; Yin, Yu; Qian, Hui; Zhang, Junliang; Ma, Shengming","Pd-Catalyzed Enantioselective Syntheses of Trisubstituted Allenes via Coupling of Propargylic Benzoates with Organoboronic Acids.","Journal of the American Chemical Society","2020","142","21","9763","9771","10.1021/jacs.0c02876","","","1.54178","CuKα","","0.0324","0.0321","","","0.0905","0.0909","","","","","","1.113","","","","has coordinates","252614","2020-10-21","18:00:00",""
"4134968","18.7383","0.0003","11.5764","0.0003","22.1767","0.0005","90","","93.211","0.002","90","","4803.06","0.18","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","PTZ","","- C33 H21 N3 S -","- C33 H21 N3 S -","- C264 H168 N24 S8 -","8","1","","Usui, Ryosuke; Yamamoto, Katsuya; Okajima, Hajime; Mutoh, Katsuya; Sakamoto, Akira; Abe, Jiro; Kobayashi, Yoichi","Photochromic Radical Complexes That Show Heterolytic Bond Dissociation.","Journal of the American Chemical Society","2020","142","22","10132","10142","10.1021/jacs.0c02739","","x-ray","0.71073","MoKα","","0.0698","0.0547","","","0.1433","0.1545","","","","","","1.063","","","","has coordinates","257110","2020-10-21","18:00:00",""
"4134969","6.8256","0.0004","12.4886","0.0008","14.5776","0.0009","92.607","0.005","93.237","0.005","105.501","0.005","1193.14","0.13","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H21 N3 O -","- C33 H21 N3 O -","- C66 H42 N6 O2 -","2","1","","Usui, Ryosuke; Yamamoto, Katsuya; Okajima, Hajime; Mutoh, Katsuya; Sakamoto, Akira; Abe, Jiro; Kobayashi, Yoichi","Photochromic Radical Complexes That Show Heterolytic Bond Dissociation.","Journal of the American Chemical Society","2020","142","22","10132","10142","10.1021/jacs.0c02739","","x-ray","0.71073","MoKα","","0.0808","0.0533","","","0.1471","0.168","","","","","","1.037","","","","has coordinates","257110","2020-10-21","18:00:00",""
"4134970","16.6921","0.0002","24.5705","0.0004","30.887","0.0004","74.761","0.001","85.289","0.001","73.432","0.001","11714.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C242 H172 B F20 N10 O22 Pd2 -","- C242 H172 B F20 N10 O22 Pd2 -","- C484 H344 B2 F40 N20 O44 Pd4 -","2","1","","Kishida, Natsuki; Matsumoto, Kyosuke; Tanaka, Yuya; Akita, Munetaka; Sakurai, Hidehiro; Yoshizawa, Michito","Anisotropic Contraction of a Polyaromatic Capsule and Its Cavity-Induced Compression Effect.","Journal of the American Chemical Society","2020","142","21","9599","9603","10.1021/jacs.0c02932","","x-ray","1.54184","CuKα","","0.1638","0.1442","","","0.4296","0.4471","","","","","","1.819","","","","has coordinates,has disorder","252612","2020-10-21","18:00:00",""
"4134971","5.7339","0.0006","46.854","0.005","6.9754","0.0007","90","","96.287","0.006","90","","1862.7","0.3","298.08","","298.08","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H12 Br F9 O2 S -","- C14 H12 Br F9 O2 S -","- C56 H48 Br4 F36 O8 S4 -","4","2","","Tu, Hai-Yong; Wang, Fang; Huo, Liping; Li, Yuanbo; Zhu, Shengqing; Zhao, Xian; Li, Huan; Qing, Feng-Ling; Chu, Lingling","Enantioselective Three-Component Fluoroalkylarylation of Unactivated Olefins through Nickel-Catalyzed Cross-Electrophile Coupling.","Journal of the American Chemical Society","2020","142","21","9604","9611","10.1021/jacs.0c03708","","","1.54178","CuKα","","0.0857","0.0599","","","0.1517","0.1694","","","","","","1.04","","","","has coordinates,has disorder","252616","2020-10-21","18:00:00",""
"4134972","12.8696","0.0002","12.8696","0.0002","27.1408","0.0006","90","","90","","120","","3892.99","0.12","123.15","","123.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C8 H5 Al0.333 F5 O0.333 P0.333 -","- C8 H5 Al0.333333 F5 O0.333333 P0.333333 -","- C144 H90 Al6 F90 O6 P6 -","18","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0309","0.0301","","","0.0778","0.0783","","","","","","1.0423","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134973","10.7445","0.0002","13.4502","0.0002","21.5779","0.0003","102.082","0.0014","99.1286","0.0014","109.539","0.0016","2783.81","0.09","123.15","","123.15","","","","","","","","","8","P -1","-P 1","2","","","","- C45 H46 Al Cu F15 N2 O2 P -","- C45 H46 Al Cu F15 N2 O2 P -","- C90 H92 Al2 Cu2 F30 N4 O4 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0437","0.0417","","","0.1177","0.1194","","","","","","1.0344","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134974","10.7379","0.0001","13.4792","0.0002","21.5394","0.0002","102.294","0.001","98.951","0.001","108.873","0.001","2796.08","0.06","123.15","","123.15","","","","","","","","","8","P -1","-P 1","2","","","","- C45 H48 Al Cu F15 N2 O2 P -","- C45 H48 Al Cu F15 N2 O2 P -","- C90 H96 Al2 Cu2 F30 N4 O4 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0456","0.0426","","","0.1218","0.1247","","","","","","1.0271","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134975","12.4894","0.0002","19.8533","0.0003","19.8687","0.0004","90","","104.524","0.002","90","","4769.12","0.15","123.15","","123.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H34 Al Cu F15 N2 O2 P -","- C39 H34 Al Cu F15 N2 O2 P -","- C156 H136 Al4 Cu4 F60 N8 O8 P4 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0513","0.0463","","","0.1293","0.1347","","","","","","1.0194","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134976","10.6515","0.0003","12.2115","0.0003","18.7731","0.0005","77.285","0.002","87.441","0.002","77.196","0.002","2322.7","0.11","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H45 Al F15 N2 O P -","- C48 H45 Al F15 N2 O P -","- C96 H90 Al2 F30 N4 O2 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","0.71073","MoKα","","0.0662","0.0507","","","0.1343","0.1431","","","","","","1.0251","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134977","10.7276","0.0003","12.1842","0.0003","18.7183","0.0005","77.186","0.002","87.431","0.002","77.69","0.002","2330.83","0.11","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H47 Al F15 N2 O P -","- C48 H47 Al F15 N2 O P -","- C96 H94 Al2 F30 N4 O2 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","0.71073","MoKα","","0.0661","0.0495","","","0.1292","0.1393","","","","","","1.0327","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134978","23.7593","0.0003","13.3807","0.0002","21.4965","0.0003","90","","90","","90","","6834.08","0.16","123.15","","123.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C62 H108 Cu2 N4 O6 P2 -","- C62 H108 Cu2 N4 O6 P2 -","- C248 H432 Cu8 N16 O24 P8 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0905","0.0805","","","0.2384","0.2845","","","","","","1.2656","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134979","10.478","0.0001","19.7596","0.0001","21.5187","0.0002","90","","103.503","0.001","90","","4332.1","0.06","123.15","","123.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 Al F15 N2 O P -","- C44 H40 Al F15 N2 O P -","- C176 H160 Al4 F60 N8 O4 P4 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0324","0.0307","","","0.0775","0.0786","","","","","","1.0385","","","","has coordinates,has disorder","252620","2020-10-21","18:00:00",""
"4134980","11.6018","0.0002","19.0189","0.0004","19.6291","0.0004","70.363","0.002","79.054","0.002","89.263","0.002","3999.03","0.15","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C78 H70 Al2 F30 N4 O2 P2 -","- C78 H70 Al2 F30 N4 O2 P2 -","- C156 H140 Al4 F60 N8 O4 P4 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0374","0.0334","","","0.087","0.0894","","","","","","1.045","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134981","19.1617","0.0002","19.1616","0.0002","38.3323","0.0004","90","","90","","90","","14074.4","0.3","123.15","","123.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H83 Al Cu F15 N4 O3 P2 -","- C68 H83 Al Cu F15 N4 O3 P2 -","- C544 H664 Al8 Cu8 F120 N32 O24 P16 -","8","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0506","0.041","","","0.1003","0.1054","","","","","","1.0415","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134982","13.1271","0.0013","29.4891","0.0016","13.6529","0.0012","90","","115.889","0.011","90","","4754.7","0.8","123.15","","123.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H41 Al Cu F15 N2 O -","- C50 H41 Al Cu F15 N2 O -","- C200 H164 Al4 Cu4 F60 N8 O4 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.1029","0.0768","","","0.1737","0.1888","","","","","","1.09","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134983","9.6259","0.0002","12.1938","0.0003","16.5765","0.0004","106.815","0.002","91.023","0.002","96.979","0.002","1845.82","0.08","123.15","","123.15","","","","","","","","","9","P -1","-P 1","2","","","","- C33 H34 Al Br Cu F10 N2 O2 P -","- C33 H34 Al Br Cu F10 N2 O2 P -","- C66 H68 Al2 Br2 Cu2 F20 N4 O4 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.028","0.0266","","","0.0678","0.0685","","","","","","1.0569","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134984","12.6447","0.0001","17.084","0.0001","13.2667","0.0001","90","","91.894","0.001","90","","2864.33","0.04","123.15","","123.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C46 H62 Al Br7 Cu4 N4 O2 P2 -","- C46 H62 Al Br7 Cu4 N4 O2 P2 -","- C92 H124 Al2 Br14 Cu8 N8 O4 P4 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.024","0.0235","","","0.0627","0.0635","","","","","","1.0429","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134985","7.0283","0.0016","16.024","0.004","12.874","0.003","90","","92.36","0.014","90","","1448.7","0.6","170","2","170.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cu F6 N2 -","- C13 H11 Cu F6 N2 -","- C52 H44 Cu4 F24 N8 -","4","1","","Liu, Shuanshuan; Liu, He; Liu, Shihan; Lu, Zehai; Lu, Changhui; Leng, Xuebing; Lan, Yu; Shen, Qilong","C(sp<sup>3</sup>)-CF<sub>3</sub> Reductive Elimination from a Five-Coordinate Neutral Copper(III) Complex.","Journal of the American Chemical Society","2020","142","21","9785","9791","10.1021/jacs.0c03304","","","1.34139","GaKα","","0.1349","0.08","","","0.1985","0.2318","","","","","","1.036","","","","has coordinates","252596","2020-10-21","18:00:00",""
"4134986","12.2651","0.0007","21.5126","0.0012","23.1911","0.0013","102.299","0.002","91.505","0.002","90.837","0.002","5975.3","0.6","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H78 F3 N6 O4 P S -","- C63 H78 F3 N6 O4 P S -","- C252 H312 F12 N24 O16 P4 S4 -","4","2","","Löwe, Pawel; Feldt, Milica; Wünsche, Marius A; Wilm, Lukas F. B.; Dielmann, Fabian","Oxophosphonium-Alkyne Cycloaddition Reactions: Reversible Formation of 1,2-Oxaphosphetes and Six-membered Phosphorus Heterocycles.","Journal of the American Chemical Society","2020","142","21","9818","9826","10.1021/jacs.0c03494","","","0.71073","MoKα","","0.0958","0.0823","","","0.1954","0.2043","","","","","","1.039","","","","has coordinates,has disorder","252597","2020-10-21","18:00:00",""
"4134987","14.4315","0.0009","33.871","0.002","19.0779","0.0011","90","","98.973","0.002","90","","9211.3","1","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H93 B F24 N7 O P -","- C96 H93 B F24 N7 O P -","- C384 H372 B4 F96 N28 O4 P4 -","4","1","","Löwe, Pawel; Feldt, Milica; Wünsche, Marius A; Wilm, Lukas F. B.; Dielmann, Fabian","Oxophosphonium-Alkyne Cycloaddition Reactions: Reversible Formation of 1,2-Oxaphosphetes and Six-membered Phosphorus Heterocycles.","Journal of the American Chemical Society","2020","142","21","9818","9826","10.1021/jacs.0c03494","","","0.71073","MoKα","","0.0842","0.0751","","","0.2072","0.2163","","","","","","1.027","","","","has coordinates,has disorder","252597","2020-10-21","18:00:00",""
"4134988","8.7026","0.0008","19.539","0.002","8.1692","0.0008","90","","90","","90","","1389.1","0.2","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H14 I3 N Pb -","- C6 H14 I3 N Pb -","- C24 H56 I12 N4 Pb4 -","4","0.25","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0545","0.038","","","0.1035","0.1111","","","","","","0.95","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134989","10.7896","0.0006","8.1584","0.0004","10.5876","0.0006","90","","90","","90","","931.98","0.09","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C6 H14 I N -","- C6 H14 I N -","- C24 H56 I4 N4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0523","0.0325","","","0.0932","0.1017","","","","","","1.044","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134990","27.464","0.009","6.5518","0.001","6.5518","0.001","90","","90","","90","","1178.9","0.5","423","2","423","2","","","","","","","","6","I m m 2","I 2 -2","44","","","","- C12 H24 F4 I4 N2 Pb -","- C12 H24 F4 I4 N2 Pb -","- C24 H48 F8 I8 N4 Pb2 -","2","0.25","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.2239","0.1715","","","0.4511","0.4769","","","","","","1.585","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134991","8.7688","0.0004","19.8584","0.0009","8.1528","0.0003","90","","90","","90","","1419.68","0.11","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H13 F I3 N Pb -","- C6 H13 F I3 N Pb -","- C24 H52 F4 I12 N4 Pb4 -","4","0.25","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0458","0.0361","","","0.0995","0.1046","","","","","","1.056","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134992","8.5418","0.0006","26.836","0.002","10.0432","0.0006","90","","90","","90","","2302.2","0.3","343","2","343","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C12 H24 F4 I4 N2 Pb -","- C12 H24 F4 I4 N2 Pb -","- C48 H96 F16 I16 N8 Pb4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0842","0.0706","","","0.2083","0.2233","","","","","","1.065","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134993","13.835","0.0014","9.9882","0.0007","8.5383","0.0008","90","","104.737","0.011","90","","1141.07","0.19","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H24 F4 I4 N2 Pb -","- C12 H24 F4 I4 N2 Pb -","- C24 H48 F8 I8 N4 Pb2 -","2","1","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0934","0.0721","","","0.1923","0.2031","","","","","","1.095","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134994","10.9328","0.0006","8.215","0.0005","10.4944","0.0005","90","","90","","90","","942.53","0.09","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C6 H12 F I N -","- C6 H12 F I N -","- C24 H48 F4 I4 N4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0531","0.0373","","","0.1216","0.1319","","","","","","1.117","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134995","10.3925","0.0008","8.0781","0.0006","23.3552","0.0019","90","","90","","90","","1960.7","0.3","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H12 F2 I N -","- C6 H12 F2 I N -","- C48 H96 F16 I8 N8 -","8","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0502","0.0355","","","0.0933","0.1017","","","","","","1.031","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134996","6.6369","0.0011","6.6369","0.0011","27.272","0.006","90","","90","","90","","1201.3","0.4","493","2","493","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- C6 F2 I4 N Pb -","- C6 F2 I4 N Pb -","- C12 F4 I8 N2 Pb2 -","2","0.125","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.425","0.1909","","","0.4486","0.5254","","","","","","1.174","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134997","17.6169","0.0004","15.2269","0.0004","29.4261","0.0006","90","","102.281","0.001","90","","7712.9","0.3","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C88 H96 O8 -","- C88 H96 O8 -","- C352 H384 O32 -","4","1","","Nogami, Juntaro; Tanaka, Yusuke; Sugiyama, Haruki; Uekusa, Hidehiro; Muranaka, Atsuya; Uchiyama, Masanobu; Tanaka, Ken","Enantioselective Synthesis of Planar Chiral Zigzag-Type Cyclophenylene Belts by Rhodium-Catalyzed Alkyne Cyclotrimerization.","Journal of the American Chemical Society","2020","142","21","9834","9842","10.1021/jacs.0c03684","","","1.54186","CuKα","","0.2105","0.1574","","","0.3985","0.4436","","","","","","1.34","","","","has coordinates,has disorder","252615","2020-10-21","18:00:00",""
"4135004","10.82397","0.00012","16.16979","0.00018","32.6888","0.0004","90","","96.6693","0.0011","90","","5682.52","0.11","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H80 B2 Li2 O9 -","- C64 H80 B2 Li2 O9 -","- C256 H320 B8 Li8 O36 -","4","1","","Sato, Yukiya; Nakamura, Kei; Sumida, Yuto; Hashizume, Daisuke; Hosoya, Takamitsu; Ohmiya, Hirohisa","Generation of Alkyl Radical through Direct Excitation of Boracene-Based Alkylborate.","Journal of the American Chemical Society","2020","142","22","9938","9943","10.1021/jacs.0c04456","","","0.71073","MoKα","","0.057","0.0456","","","0.1082","0.1152","","","","","","1.029","","","","has coordinates,has disorder","257108","2020-10-21","18:00:00",""
"4135005","13.1945","0.0013","10.7243","0.0011","15.7972","0.0014","90","","92.336","0.004","90","","2233.5","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 B10 -","- C20 H28 B10 -","- C80 H112 B40 -","4","1","","Baek, Yonghyeon; Cheong, Kiun; Ko, Gi Hoon; Han, Gi Uk; Han, Sang Hoon; Kim, Dongwook; Lee, Kooyeon; Lee, Phil Ho","Iridium-Catalyzed Cyclative Indenylation and Dienylation through Sequential B(4)-C Bond Formation, Cyclization, and Elimination from <i>o</i>-Carboranes and Propargyl Alcohols.","Journal of the American Chemical Society","2020","142","22","9890","9895","10.1021/jacs.0c02121","","","0.71073","MoKα","","0.1228","0.0921","","","0.1694","0.1823","","","","","","1.182","","","","has coordinates","257114","2020-10-21","18:00:00",""
"4135006","12.9222","0.0006","10.4623","0.0005","13.8208","0.0007","90","","94.9914","0.0016","90","","1861.43","0.16","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 B10 -","- C14 H24 B10 -","- C56 H96 B40 -","4","1","","Baek, Yonghyeon; Cheong, Kiun; Ko, Gi Hoon; Han, Gi Uk; Han, Sang Hoon; Kim, Dongwook; Lee, Kooyeon; Lee, Phil Ho","Iridium-Catalyzed Cyclative Indenylation and Dienylation through Sequential B(4)-C Bond Formation, Cyclization, and Elimination from <i>o</i>-Carboranes and Propargyl Alcohols.","Journal of the American Chemical Society","2020","142","22","9890","9895","10.1021/jacs.0c02121","","","0.71073","MoKα","","0.0928","0.0707","","","0.1694","0.1931","","","","","","1.123","","","","has coordinates,has disorder","257114","2020-10-21","18:00:00",""
"4135007","20.027","0.003","12.0453","0.0016","18.935","0.003","90","","90","","90","","4567.7","1.2","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H32 B10 -","- C18 H32 B10 -","- C144 H256 B80 -","8","2","","Baek, Yonghyeon; Cheong, Kiun; Ko, Gi Hoon; Han, Gi Uk; Han, Sang Hoon; Kim, Dongwook; Lee, Kooyeon; Lee, Phil Ho","Iridium-Catalyzed Cyclative Indenylation and Dienylation through Sequential B(4)-C Bond Formation, Cyclization, and Elimination from <i>o</i>-Carboranes and Propargyl Alcohols.","Journal of the American Chemical Society","2020","142","22","9890","9895","10.1021/jacs.0c02121","","","0.71073","MoKα","","0.0902","0.0728","","","0.1547","0.1658","","","","","","1.116","","","","has coordinates,has disorder","257114","2020-10-21","18:00:00",""
"4135008","10.3192","0.0004","13.6281","0.0006","25.6934","0.0014","90","","90","","90","","3613.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H34 N10 O10 -","- C39 H34 N10 O10 -","- C156 H136 N40 O40 -","4","1","","Shen, Jie; Ye, Ruijuan; Romanies, Alyssa; Roy, Arundhati; Chen, Feng; Ren, Changliang; Liu, Zhiwei; Zeng, Huaqiang","Aquafoldmer-Based Aquaporin-like Synthetic Water Channel.","Journal of the American Chemical Society","2020","142","22","10050","10058","10.1021/jacs.0c02013","","","0.71073","MoKα","","0.1397","0.0706","","","0.1228","0.153","","","","","","1.065","","","","has coordinates","257107","2020-10-21","18:00:00",""
"4135012","9.3332","0.0014","12.1683","0.0018","14.396","0.002","90","","90","","90","","1634.9","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 Br2 N2 Ni O2 -","- C12 H18 Br2 N2 Ni O2 -","- C48 H72 Br8 N8 Ni4 O8 -","4","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","0.71073","MoKα","","0.0418","0.0319","","","0.0619","0.0643","","","","","","0.965","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135013","14.2816","0.0013","14.9089","0.0012","26.853","0.002","90","","90","","90","","5717.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C61 H45 Cl9 O2 -","- C61 H45 Cl9 O2 -","- C244 H180 Cl36 O8 -","4","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","0.71073","MoKα","","0.1534","0.0803","","","0.2087","0.2688","","","","","","1.008","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135014","6.349","0.0003","8.618","0.0004","13.1236","0.0006","90","","103.89","0.001","90","","697.07","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C34 H32 N4 O2 -","2","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","1.54178","CuKα","","0.029","0.0287","","","0.0733","0.0738","","","","","","1.036","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135015","6.7225","0.0001","8.4948","0.0002","29.8034","0.0005","90","","90","","90","","1701.96","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C84 H88 N8 O4 -","4","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","1.54178","CuKα","","0.062","0.0597","","","0.1563","0.1608","","","","","","1.047","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135016","10.9629","0.0005","9.5777","0.0004","17.0234","0.0008","90","","108.478","0.001","90","","1695.3","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H31 Cl4 N4 Ni2 O2 -","- C34 H31 Cl4 N4 Ni2 O2 -","- C68 H62 Cl8 N8 Ni4 O4 -","2","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","0.71073","MoKα","","0.0311","0.0264","","","0.0585","0.0609","","","","","","1.042","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135017","11.0227","0.0003","18.3233","0.0005","12.8616","0.0003","90","","107.871","0.001","90","","2472.35","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H80 I2 Si12 -","- C32 H80 I2 Si12 -","- C64 H160 I4 Si24 -","2","0.5","","Nukazawa, Takumi; Iwamoto, Takeaki","An Isolable Tetrasilicon Analogue of a Planar Bicyclo[1.1.0]butane with π-Type Single-Bonding Character.","Journal of the American Chemical Society","2020","142","22","9920","9924","10.1021/jacs.0c03874","","","0.71073","MoKα","","0.0318","0.0235","","","0.0488","0.0523","","","","","","1.026","","","","has coordinates","257113","2020-10-21","18:00:00",""
"4135018","11.6852","0.0003","14.2348","0.0004","17.0541","0.0005","68.082","0.001","78.177","0.001","76.52","0.001","2537.24","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H80 I2 Si12 -","- C32 H80 I2 Si12 -","- C64 H160 I4 Si24 -","2","1","","Nukazawa, Takumi; Iwamoto, Takeaki","An Isolable Tetrasilicon Analogue of a Planar Bicyclo[1.1.0]butane with π-Type Single-Bonding Character.","Journal of the American Chemical Society","2020","142","22","9920","9924","10.1021/jacs.0c03874","","","0.71073","MoKα","","0.0464","0.0313","","","0.0618","0.0687","","","","","","1.013","","","","has coordinates","257113","2020-10-21","18:00:00",""
"4135019","13.4699","0.0005","13.6164","0.0006","20.1702","0.0009","90","","90","","90","","3699.4","0.3","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H32 Cl2 O4 -","- C51 H32 Cl2 O4 -","- C204 H128 Cl8 O16 -","4","1","","Yubuta, Ayaka; Hosokawa, Tomoka; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki; Tsurusaki, Akihiro; Kamikawa, Ken","Enantioselective Synthesis of Triple Helicenes by Cross-Cyclotrimerization of a Helicenyl Aryne and Alkynes via Dynamic Kinetic Resolution.","Journal of the American Chemical Society","2020","142","22","10025","10033","10.1021/jacs.0c01723","","","0.71075","MoKα","","0.0581","0.0561","","","0.1554","0.158","","","","","","1.025","","","","has coordinates","257109","2020-10-21","18:00:00",""
"4135061","10.3008","0.0008","10.3151","0.0009","13.5595","0.0014","94.497","0.008","103.341","0.007","119.914","0.006","1182.7","0.2","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 Ge N O2 -","- C29 H25 Ge N O2 -","- C58 H50 Ge2 N2 O4 -","2","1","","Debrauwer, Vincent; Turlik, Aneta; Rummler, Lénaic; Prescimone, Alessandro; Blanchard, Nicolas; Houk, K. N.; Bizet, Vincent","Ligand-Controlled Regiodivergent Palladium-Catalyzed Hydrogermylation of Ynamides.","Journal of the American Chemical Society","2020","142","25","11153","11164","10.1021/jacs.0c03556","","","1.34143","GaKα","","0.0511","0.0461","","0.064","0.0569","0.0583","","","","","","1.0623","","","","has coordinates","253726","2020-10-21","18:00:00",""
"4135062","20.0288","0.0008","14.5601","0.0007","18.7951","0.0008","90","","115.273","0.002","90","","4956.4","0.4","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Ge N O3 -","- C30 H27 Ge N O3 -","- C240 H216 Ge8 N8 O24 -","8","2","","Debrauwer, Vincent; Turlik, Aneta; Rummler, Lénaic; Prescimone, Alessandro; Blanchard, Nicolas; Houk, K. N.; Bizet, Vincent","Ligand-Controlled Regiodivergent Palladium-Catalyzed Hydrogermylation of Ynamides.","Journal of the American Chemical Society","2020","142","25","11153","11164","10.1021/jacs.0c03556","","x-ray","1.54178","CuKα","","0.0448","0.0391","","","0.0994","0.1034","","","","","","1.036","","","","has coordinates","253726","2020-10-21","18:00:00",""
"4135063","9.2732","0.0004","10.0269","0.0003","27.8796","0.001","90","","94.522","0.003","90","","2584.22","0.16","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 F3 Ge N O2 -","- C30 H24 F3 Ge N O2 -","- C120 H96 F12 Ge4 N4 O8 -","4","1","","Debrauwer, Vincent; Turlik, Aneta; Rummler, Lénaic; Prescimone, Alessandro; Blanchard, Nicolas; Houk, K. N.; Bizet, Vincent","Ligand-Controlled Regiodivergent Palladium-Catalyzed Hydrogermylation of Ynamides.","Journal of the American Chemical Society","2020","142","25","11153","11164","10.1021/jacs.0c03556","","","1.34143","GaKα","","0.073","0.0646","","0.0845","0.0782","0.0764","","","","","","1.0273","","","","has coordinates","253726","2020-10-21","18:00:00",""
"4135064","18.0288","0.0015","18.508","0.0014","22.4157","0.0015","113.701","0.007","90.846","0.007","114.996","0.008","6051.7","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Cl N2 Ni -","- C30 H28 Cl N2 Ni -","- C240 H224 Cl8 N16 Ni8 -","8","4","","Somerville, Rosie J.; Odena, Carlota; Obst, Marc F.; Hazari, Nilay; Hopmann, Kathrin H.; Martin, Ruben","Ni(I)-Alkyl Complexes Bearing Phenanthroline Ligands: Experimental Evidence for CO<sub>2</sub> Insertion at Ni(I) Centers.","Journal of the American Chemical Society","2020","142","25","10936","10941","10.1021/jacs.0c04695","","","0.71073","MoKα","","0.0799","0.0452","","","0.1058","0.1163","","","","","","0.986","","","","has coordinates","253725","2020-10-21","18:00:00",""
"4135065","9.8891","0.0016","21.524","0.003","14.62","0.002","90","","103.029","0.005","90","","3031.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Cl N2 Ni -","- C36 H40 Cl N2 Ni -","- C144 H160 Cl4 N8 Ni4 -","4","1","","Somerville, Rosie J.; Odena, Carlota; Obst, Marc F.; Hazari, Nilay; Hopmann, Kathrin H.; Martin, Ruben","Ni(I)-Alkyl Complexes Bearing Phenanthroline Ligands: Experimental Evidence for CO<sub>2</sub> Insertion at Ni(I) Centers.","Journal of the American Chemical Society","2020","142","25","10936","10941","10.1021/jacs.0c04695","","","0.71073","MoKα","","0.0935","0.0526","","","0.1148","0.1306","","","","","","1.032","","","","has coordinates","253725","2020-10-21","18:00:00",""
"4135066","11.0083","0.0006","32.4592","0.0017","8.8043","0.0005","90","","90.9405","0.0018","90","","3145.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H44 N2 Ni O0.5 -","- C37 H44 N2 Ni O0.5 -","- C148 H176 N8 Ni4 O2 -","4","1","","Somerville, Rosie J.; Odena, Carlota; Obst, Marc F.; Hazari, Nilay; Hopmann, Kathrin H.; Martin, Ruben","Ni(I)-Alkyl Complexes Bearing Phenanthroline Ligands: Experimental Evidence for CO<sub>2</sub> Insertion at Ni(I) Centers.","Journal of the American Chemical Society","2020","142","25","10936","10941","10.1021/jacs.0c04695","","","0.71073","MoKα","","0.0821","0.0521","","","0.109","0.1217","","","","","","1.055","","","","has coordinates,has disorder","253725","2020-10-21","18:00:00",""
"4135076","16.755","0.003","16.845","0.003","18.531","0.004","103.56","0.03","110.52","0.03","107.89","0.03","4304","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C152 H146 Au12 Cl4 N6 O2 P12 S4 -","- C152 H146 Au12 Cl4 N6 O2 P12 S4 -","- C152 H146 Au12 Cl4 N6 O2 P12 S4 -","1","0.5","","Yan, Liang-Liang; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Concentration- and Solvation-Induced Reversible Structural Transformation and Assembly of Polynuclear Gold(I) Sulfido Complexes.","Journal of the American Chemical Society","2020","142","26","11560","11568","10.1021/jacs.0c04677","","","0.82653","synchrotron","","0.0602","0.0599","","","0.1716","0.1721","","","","","","1.029","","","","has coordinates","253724","2020-10-21","18:00:00",""
"4135077","16.927","0.003","11.43","0.002","32.513","0.007","90","","99.02","0.03","90","","6213","2","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C104 H100 Au10 Cl10 N4 P8 S4 -","- C104 H100 Au10 Cl10 N4 P8 S4 -","- C208 H200 Au20 Cl20 N8 P16 S8 -","2","0.5","","Yan, Liang-Liang; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Concentration- and Solvation-Induced Reversible Structural Transformation and Assembly of Polynuclear Gold(I) Sulfido Complexes.","Journal of the American Chemical Society","2020","142","26","11560","11568","10.1021/jacs.0c04677","","","0.82653","synchrotron","","0.0617","0.0585","","","0.1748","0.1799","","","","","","1.06","","","","has coordinates","253724","2020-10-21","18:00:00",""
"4135078","32.431","0.005","32.431","0.005","24.806","0.005","90","","90","","90","","26090","8","100","2","100","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C104 H100 Au10 Cl2 N4 P8 S4 -","- C104 H100 Au10 Cl2 N4 P8 S4 -","- C832 H800 Au80 Cl16 N32 P64 S32 -","8","1","","Yan, Liang-Liang; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Concentration- and Solvation-Induced Reversible Structural Transformation and Assembly of Polynuclear Gold(I) Sulfido Complexes.","Journal of the American Chemical Society","2020","142","26","11560","11568","10.1021/jacs.0c04677","","","0.82657","synchrotron","","0.0703","0.0699","","","0.1844","0.185","","","","","","1.029","","","","has coordinates,has disorder","253724","2020-10-21","18:00:00",""
"4135079","16.539","0.003","33.236","0.007","14.185","0.003","90","","105.86","0.03","90","","7501","3","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C146 H134 Au12 Cl4 N6 O2 P12 S4 -","- C146 H134 Au12 Cl4 N6 O2 P12 S4 -","- C292 H268 Au24 Cl8 N12 O4 P24 S8 -","2","0.5","","Yan, Liang-Liang; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Concentration- and Solvation-Induced Reversible Structural Transformation and Assembly of Polynuclear Gold(I) Sulfido Complexes.","Journal of the American Chemical Society","2020","142","26","11560","11568","10.1021/jacs.0c04677","","","0.71073","synchrotron","","0.078","0.0779","","","0.1857","0.1859","","","","","","1.194","","","","has coordinates","253724","2020-10-21","18:00:00",""
"4135114","21.6885","0.0016","13.647","0.004","12.5084","0.0011","90","","90","","90","","3702.3","1.2","150","","150","","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- C18 Br6 -","- C18 Br6 -","- C144 Br48 -","8","0.5","","Scriven, Lorel M.; Kaiser, Katharina; Schulz, Fabian; Sterling, Alistair J.; Woltering, Steffen L.; Gawel, Przemyslaw; Christensen, Kirsten E.; Anderson, Harry L.; Gross, Leo","Synthesis of Cyclo[18]carbon via Debromination of C<sub>18</sub>Br<sub>6</sub>.","Journal of the American Chemical Society","2020","142","30","12921","12924","10.1021/jacs.0c05033","","","1.54184","CuKα","","0.2032","0.1297","","0.372","0.2958","0.372","","","","","","0.9687","","","","has coordinates","257120","2020-10-21","18:00:00",""
"4135116","10.626","0.011","19.78","0.02","12.823","0.014","90","","99.803","0.011","90","","2656","5","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C56 H58 O18 -","- C56 H58 O18 -","- C112 H116 O36 -","2","1","","Fujino, Haruka; Fukuda, Takumi; Nagatomo, Masanori; Inoue, Masayuki","Convergent Total Synthesis of Hikizimycin Enabled by Intermolecular Radical Addition to Aldehyde.","Journal of the American Chemical Society","2020","142","30","13227","13234","10.1021/jacs.0c06354","","","0.71075","MoKα","","0.0927","0.0764","","","0.15","0.1639","","","","","","1.06","","","","has coordinates","257119","2020-10-21","18:00:00",""
"4135117","9.4563","0.0004","10.1865","0.0005","17.3631","0.0008","98.128","0.002","93.544","0.002","102.231","0.002","1610.85","0.13","125","2","125","2","","","","","","","","5","P -1","-P 1","2","tBuXphosAuC6H3F2","","","- C35 H48 Au F2 P -","- C35 H48 Au F2 P -","- C70 H96 Au2 F4 P2 -","2","1","","Daley, Ryan A.; Morrenzin, Aaron S.; Neufeldt, Sharon R.; Topczewski, Joseph J.","Gold Catalyzed Decarboxylative Cross-Coupling of Iodoarenes.","Journal of the American Chemical Society","2020","142","30","13210","13218","10.1021/jacs.0c06244","","","0.71073","MoKα","","0.03","0.0245","","","0.0544","0.0567","","","","","","1.043","","","","has coordinates","257118","2020-10-21","18:00:00",""
"4135154","12.3534","0.0002","16.8232","0.0003","16.9837","0.0003","90","","96.717","0.001","90","","3505.39","0.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 B Cl2 F10 N2 O -","- C38 H33 B Cl2 F10 N2 O -","- C152 H132 B4 Cl8 F40 N8 O4 -","4","1","","Vidal, Fernando; McQuade, James; Lalancette, Roger; Jäkle, Frieder","ROMP-Boranes as Moisture-Tolerant and Recyclable Lewis Acid Organocatalysts.","Journal of the American Chemical Society","2020","142","34","14427","14431","10.1021/jacs.0c05454","","","1.54178","CuKα","","0.0864","0.0601","","","0.1285","0.1437","","","","","","1.027","","","","has coordinates","255871","2020-10-21","18:00:00",""
"4135202","40.5456","0.0007","40.546","","19.6333","0.0004","90","","90","","120","","27952.2","0.7","100","2","99.98","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C96 H52 O36 Zr6 -","- C96 H52 O36 Zr6 -","- C288 H156 O108 Zr18 -","3","0.125","","Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.","Journal of the American Chemical Society","2020","142","35","15020","15026","10.1021/jacs.0c05758","","","1.54184","CuKα","","0.0612","0.0477","","","0.1471","0.1547","","","","","","1.079","","","","has coordinates","255870","2020-10-21","18:00:00",""
"4135203","41.321","0.004","41.321","","19.208","0.002","90","","90","","120","","28402","4","293","2","293.38","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C14.25 H10 F1.5 O4.5 Zr0.75 -","- C13.75 H8.5 O4.5 Zr0.75 -","- C330 H204 O108 Zr18 -","24","1","","Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.","Journal of the American Chemical Society","2020","142","35","15020","15026","10.1021/jacs.0c05758","","","1.54184","CuKα","","0.0854","0.0589","","","0.1622","0.1712","","","","","","1.107","","","","has coordinates,has disorder","255870","2020-10-21","18:00:00",""
"4135204","40.8928","0.0008","40.893","","19.2023","0.0004","90","","90","","120","","27808.6","0.8","100","2","99.99","","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C14.65 H8.2 Cl0 N0.45 O4.75 Ru0.12 Zr0.75 -","- C14.9 H8 N0.45 O4.75 Ru0.125 Zr0.75 -","- C357.6 H192 N10.8 O114 Ru3 Zr18 -","24","1","","Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.","Journal of the American Chemical Society","2020","142","35","15020","15026","10.1021/jacs.0c05758","","","1.54184","CuKα","","0.1354","0.1002","","","0.3012","0.3272","","","","","","1.108","","","","has coordinates,has disorder","255870","2020-10-21","18:00:00",""
"4135205","14.4913","0.0004","18.099","0.0005","25.5467","0.0007","90","","90","","90","","6700.3","0.3","100","2","100","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C32 H28 N6 O7 Ru -","- C32 H22 N6 O7 Ru -","- C256 H176 N48 O56 Ru8 -","8","1","","Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.","Journal of the American Chemical Society","2020","142","35","15020","15026","10.1021/jacs.0c05758","","","1.54184","CuKα","","0.0651","0.0632","","","0.1853","0.1865","","","","","","1.185","","","","has coordinates,has disorder","255870","2020-10-21","18:00:00",""
"4135206","12.6771","0.0015","5.6603","0.0007","13.2825","0.0015","90","","112.322","0.0018","90","","881.68","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H15 Br F2 N4 O2 -","- C18 H15 Br F2 N4 O2 -","- C36 H30 Br2 F4 N8 O4 -","2","1","","Levin, Mark D.; Ovian, John M.; Read, Jacquelyne A.; Sigman, Matthew S.; Jacobsen, Eric N.","Catalytic Enantioselective Synthesis of Difluorinated Alkyl Bromides.","Journal of the American Chemical Society","2020","142","35","14831","14837","10.1021/jacs.0c07043","","","0.71073","MoKα","","0.0683","0.0505","","","0.1106","0.1193","","","","","","1.026","","","","has coordinates","255869","2020-10-21","18:00:00",""
"4135223","6.7374","0.0006","13.1786","0.0013","14.477","0.0012","75.796","0.004","82.956","0.004","78.182","0.004","1216.14","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","jwjcop1","","","- C51 H58 B2 Cl2 F4 N6 Pd2 -","- C51 H58 B2 Cl2 F4 N6 Pd2 -","- C51 H58 B2 Cl2 F4 N6 Pd2 -","1","0.5","","Morstein, Johannes; Höfler, Denis; Ueno, Kohei; Jurss, Jonah W.; Walvoord, Ryan R.; Bruemmer, Kevin J.; Rezgui, Samir P.; Brewer, Thomas F.; Saitoe, Minoru; Michel, Brian W.; Chang, Christopher J.","Ligand-Directed Approach to Activity-Based Sensing: Developing Palladacycle Fluorescent Probes That Enable Endogenous Carbon Monoxide Detection.","Journal of the American Chemical Society","2020","142","37","15917","15930","10.1021/jacs.0c06405","","","0.71073","MoKα","","0.0379","0.0312","","","0.0622","0.0656","","","","","","1.036","","","","has coordinates,has disorder","257116","2020-10-21","18:00:00",""
"4135224","17.1369","0.0008","12.7322","0.0006","12.0144","0.0005","90","","103.187","0.002","90","","2552.3","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cop1_py","","","- C27 H30 B Cl F2 N4 Pd -","- C27 H30 B Cl F2 N4 Pd -","- C108 H120 B4 Cl4 F8 N16 Pd4 -","4","1","","Morstein, Johannes; Höfler, Denis; Ueno, Kohei; Jurss, Jonah W.; Walvoord, Ryan R.; Bruemmer, Kevin J.; Rezgui, Samir P.; Brewer, Thomas F.; Saitoe, Minoru; Michel, Brian W.; Chang, Christopher J.","Ligand-Directed Approach to Activity-Based Sensing: Developing Palladacycle Fluorescent Probes That Enable Endogenous Carbon Monoxide Detection.","Journal of the American Chemical Society","2020","142","37","15917","15930","10.1021/jacs.0c06405","","","0.71073","MoKα","","0.0215","0.0205","","","0.056","0.0567","","","","","","1.06","","","","has coordinates","257116","2020-10-21","18:00:00",""
"4135225","6.815","","7.825","","20.231","0.001","98.326","0.002","91.92","0.002","100.133","0.002","1048.92","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","rxnCOP1","","","- C23 H26 B F2 N3 O2 -","- C23 H26 B F2 N3 O2 -","- C46 H52 B2 F4 N6 O4 -","2","1","","Morstein, Johannes; Höfler, Denis; Ueno, Kohei; Jurss, Jonah W.; Walvoord, Ryan R.; Bruemmer, Kevin J.; Rezgui, Samir P.; Brewer, Thomas F.; Saitoe, Minoru; Michel, Brian W.; Chang, Christopher J.","Ligand-Directed Approach to Activity-Based Sensing: Developing Palladacycle Fluorescent Probes That Enable Endogenous Carbon Monoxide Detection.","Journal of the American Chemical Society","2020","142","37","15917","15930","10.1021/jacs.0c06405","","","0.71073","MoKα","","0.0453","0.038","","","0.0928","0.0984","","","","","","1.03","","","","has coordinates","257116","2020-10-21","18:00:00",""
"4135236","16.0766","0.0006","8.861","0.0003","10.0045","0.0004","90","","90","","90","","1425.19","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C72 H60 Br4 O8 -","4","1","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0203","0.0187","","","0.0459","0.0463","","","","","","0.98","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135237","16.8492","0.0009","8.7623","0.0004","19.0314","0.001","90","","100.588","0.005","90","","2761.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","2","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.7107","MoKα","","0.059","0.0442","","","0.1171","0.1257","","","","","","1.041","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135238","9.3491","0.0004","9.3991","0.0004","18.1237","0.0008","90","","96.9317","0.0012","90","","1580.95","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 O2 -","- C21 H16 O2 -","- C84 H64 O8 -","4","1","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0594","0.0467","","","0.121","0.1288","","","","","","1.03","","","","has coordinates,has disorder","257121","2020-10-21","18:00:00",""
"4135239","10.7611","0.0015","8.0387","0.0006","26.664","0.003","90","","92.145","0.004","90","","2305","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 Br N2 Ni -","- C26 H31 Br N2 Ni -","- C104 H124 Br4 N8 Ni4 -","4","1","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0603","0.0344","","","0.0639","0.0707","","","","","","1.023","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135240","13.8725","0.0009","12.4952","0.0007","15.8443","0.0009","90","","90","","90","","2746.4","0.3","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C50 H40 Br4 Cl4 F12 N8 Ni2 -","- C50 H40 Br4 Cl4 F12 N8 Ni2 -","- C100 H80 Br8 Cl8 F24 N16 Ni4 -","2","0.25","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0686","0.0626","","","0.1515","0.1538","","","","","","1.203","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135241","8.656","0.0008","11.3735","0.0008","27.925","0.002","90","","90","","90","","2749.2","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","1","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0834","0.0607","","","0.1564","0.1745","","","","","","1.03","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135248","32.3336","0.001","33.9663","0.0008","51.4808","0.0015","90","","90","","90","","56539","3","209","100","209","100","","","","","","","","3","F 2 2 2","F 2 2","22","","","","- C216 H200 N24 -","- C216 H200 N24 -","- C1728 H1600 N192 -","8","0.5","","Qu, Hang; Huang, Zheyu; Dong, Xue; Wang, Xinchang; Tang, Xiao; Li, Zhihao; Gao, Wenbin; Liu, Haoliang; Huang, Ruishan; Zhao, Zujin; Zhang, Hui; Yang, Liulin; Tian, Zhongqun; Cao, Xiaoyu","Truncated Face-Rotating Polyhedra Constructed from Pentagonal Pentaphenylpyrrole through Graph Theory.","Journal of the American Chemical Society","2020","142","38","16223","16228","10.1021/jacs.0c08243","","x-ray","1.54184","CuKα","","0.0973","0.0421","","","0.1162","0.1419","","","","","","0.881","","","","has coordinates","257122","2020-10-21","18:00:00",""
"4135249","32.3016","0.001","34.0393","0.0011","50.8944","0.0014","90","","90","","90","","55960","3","295","1","295","1","","","","","","","","3","F 2 2 2","F 2 2","22","","","","- C216 H200 N24 -","- C216 H200 N24 -","- C1728 H1600 N192 -","8","0.5","","Qu, Hang; Huang, Zheyu; Dong, Xue; Wang, Xinchang; Tang, Xiao; Li, Zhihao; Gao, Wenbin; Liu, Haoliang; Huang, Ruishan; Zhao, Zujin; Zhang, Hui; Yang, Liulin; Tian, Zhongqun; Cao, Xiaoyu","Truncated Face-Rotating Polyhedra Constructed from Pentagonal Pentaphenylpyrrole through Graph Theory.","Journal of the American Chemical Society","2020","142","38","16223","16228","10.1021/jacs.0c08243","","x-ray","1.54184","CuKα","","0.0596","0.0426","","","0.1238","0.1368","","","","","","0.975","","","","has coordinates","257122","2020-10-21","18:00:00",""
"4135250","10.5727","0.0002","9.663","0.0002","38.7804","0.0006","90","","91.267","0.002","90","","3960.99","0.13","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H25 N O5 -","- C39 H25 N O5 -","- C156 H100 N4 O20 -","4","1","","Qu, Hang; Huang, Zheyu; Dong, Xue; Wang, Xinchang; Tang, Xiao; Li, Zhihao; Gao, Wenbin; Liu, Haoliang; Huang, Ruishan; Zhao, Zujin; Zhang, Hui; Yang, Liulin; Tian, Zhongqun; Cao, Xiaoyu","Truncated Face-Rotating Polyhedra Constructed from Pentagonal Pentaphenylpyrrole through Graph Theory.","Journal of the American Chemical Society","2020","142","38","16223","16228","10.1021/jacs.0c08243","","x-ray","1.54184","CuKα","","0.0902","0.0854","","","0.2274","0.2316","","","","","","1.072","","","","has coordinates,has disorder","257122","2020-10-21","18:00:00",""
"4135252","9.3543","0.0002","9.4109","0.0002","11.0915","0.0003","88.4588","0.0014","70.3721","0.0013","70.9637","0.0013","865.63","0.04","100","","100.02","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 B Br O2 -","- C16 H28 B Br O2 -","- C32 H56 B2 Br2 O4 -","2","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0246","0.0216","","","0.0526","0.0538","","","","","","1.039","","","","has coordinates","257117","2020-10-21","18:00:00",""
"4135253","38.7408","0.0009","6.1921","0.0001","17.4843","0.0004","90","","98.748","0.001","90","","4145.46","0.15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H33 B O3 -","- C23 H33 B O3 -","- C184 H264 B8 O24 -","8","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0482","0.0397","","","0.094","0.0992","","","","","","1.021","","","","has coordinates","257117","2020-10-21","18:00:00",""
"4135254","14.1029","0.0005","11.3545","0.0004","13.1218","0.0005","90","","98.427","0.003","90","","2078.53","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 B O4 -","- C22 H33 B O4 -","- C88 H132 B4 O16 -","4","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0719","0.0499","","","0.146","0.1631","","","","","","1.071","","","","has coordinates,has disorder","257117","2020-10-21","18:00:00",""
"4135255","6.2461","0.0002","6.9103","0.0002","22.7041","0.0006","90","","94.1036","0.0016","90","","977.45","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O S -","- C11 H12 O S -","- C44 H48 O4 S4 -","4","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0341","0.0305","","","0.0816","0.0839","","","","","","1.05","","","","has coordinates","257117","2020-10-21","18:00:00",""
"4135256","6.6532","0.0002","19.3711","0.0006","28.5231","0.0009","102.053","0.002","91.973","0.002","90.586","0.002","3592.31","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H29 B O4 -","- C17 H29 B O4 -","- C136 H232 B8 O32 -","8","4","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0834","0.0589","","","0.1519","0.1657","","","","","","1.024","","","","has coordinates","257117","2020-10-21","18:00:00",""
"4135257","10.0127","0.0003","11.0765","0.0004","10.3165","0.0004","90","","91.013","0.002","90","","1143.98","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 B O3 -","- C26 H33 B O3 -","- C52 H66 B2 O6 -","2","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0528","0.0417","","","0.0813","0.0868","","","","","","1.015","","","","has coordinates","257117","2020-10-21","18:00:00",""
"4135269","24.146","0.001","9.8138","0.0004","7.8489","0.0003","90","","91.965","0.004","90","","1858.81","0.13","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C14 H20 Cl2 Fe I N Pb -","- C14 H20 Cl2 Fe I N Pb -","- C56 H80 Cl8 Fe4 I4 N4 Pb4 -","4","1","","Zhang, Zhi-Xu; Zhang, Han-Yue; Zhang, Wei; Chen, Xiao-Gang; Wang, Hui; Xiong, Ren-Gen","Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap.","Journal of the American Chemical Society","2020","142","41","17787","17794","10.1021/jacs.0c09288","","","0.71073","MoKα","","0.0441","0.0357","","","0.1007","0.1035","","","","","","1.102","","","","has coordinates","258709","2020-11-04","01:23:00",""
"4135270","25.8959","0.0016","10.0928","0.0005","7.944","0.0004","90","","93.798","0.005","90","","2071.7","0.19","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H20 Fe I3 N Pb -","- C14 H20 Fe I3 N Pb -","- C56 H80 Fe4 I12 N4 Pb4 -","4","1","","Zhang, Zhi-Xu; Zhang, Han-Yue; Zhang, Wei; Chen, Xiao-Gang; Wang, Hui; Xiong, Ren-Gen","Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap.","Journal of the American Chemical Society","2020","142","41","17787","17794","10.1021/jacs.0c09288","","","0.71073","MoKα","","0.0637","0.0611","","","0.1742","0.1764","","","","","","1.099","","","","has coordinates","258709","2020-11-04","01:23:01",""
"4135271","25.248","0.003","10.0268","0.0007","7.9347","0.0007","90","","92.55","0.009","90","","2006.7","0.3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C14 H20 Br2 Fe I N Pb -","- C14 H20 Br2 Fe I N Pb -","- C56 H80 Br8 Fe4 I4 N4 Pb4 -","4","1","","Zhang, Zhi-Xu; Zhang, Han-Yue; Zhang, Wei; Chen, Xiao-Gang; Wang, Hui; Xiong, Ren-Gen","Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap.","Journal of the American Chemical Society","2020","142","41","17787","17794","10.1021/jacs.0c09288","","","0.71073","MoKα","","0.0499","0.0468","","","0.1324","0.1341","","","","","","1.128","","","","has coordinates","258709","2020-11-04","01:23:01",""
"4135272","11.9642","0.0002","26.3927","0.0004","21.6924","0.0003","90","","90.1923","0.0007","90","","6849.72","0.18","170","2","170.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71.5 H73.5 Cl4.5 N2 O8 -","- C71.5 H73.5 Cl4.5 N2 O8 -","- C286 H294 Cl18 N8 O32 -","4","2","","Zhu, Huangtianzhi; Li, Qi; Shi, Bingbing; Xing, Hao; Sun, Yan; Lu, Shuai; Shangguan, Liqing; Li, Xiaopeng; Huang, Feihe; Stang, Peter J.","Formation of Planar Chiral Platinum Triangles via Pillar[5]arene for Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","142","41","17340","17345","10.1021/jacs.0c09598","","","1.34139","GaKα","","0.0713","0.0634","","","0.1692","0.1764","","","","","","1.039","","","","has coordinates","258708","2020-11-04","01:22:48",""
"4135273","11.9689","0.0002","26.3969","0.0005","21.6869","0.0004","90","","90.193","0.001","90","","6851.8","0.2","170","2","170.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71.5 H73.5 Cl4.5 N2 O8 -","- C71.5 H73.5 Cl4.5 N2 O8 -","- C286 H294 Cl18 N8 O32 -","4","2","","Zhu, Huangtianzhi; Li, Qi; Shi, Bingbing; Xing, Hao; Sun, Yan; Lu, Shuai; Shangguan, Liqing; Li, Xiaopeng; Huang, Feihe; Stang, Peter J.","Formation of Planar Chiral Platinum Triangles via Pillar[5]arene for Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","142","41","17340","17345","10.1021/jacs.0c09598","","","1.34139","GaKα","","0.0737","0.0686","","","0.1877","0.1921","","","","","","1.027","","","","has coordinates","258708","2020-11-04","01:22:48",""
"4135274","11.0288","0.0002","14.2907","0.0003","14.774","0.0003","70.148","0.001","70.769","0.001","84.111","0.001","2067.82","0.07","170","","170","","","","","","","","","5","P 1","P 1","1","","","","- C53 H33 Cl3 N4 O -","- C53 H33 Cl3 N4 O -","- C106 H66 Cl6 N8 O2 -","2","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","1.54178","CuKα","","0.0743","0.0578","","","0.143","0.1605","","","","","","1.005","","","","has coordinates,has disorder","258707","2020-11-04","01:22:24",""
"4135275","10.7802","0.0004","16.7891","0.0006","23.3522","0.0009","88.514","0.001","81.094","0.001","73.999","0.001","4013.2","0.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H34 Cl2 N4 O -","- C53 H34 Cl2 N4 O -","- C212 H136 Cl8 N16 O4 -","4","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.155","0.1076","","","0.2889","0.3298","","","","","","1.022","","","","has coordinates","258707","2020-11-04","01:22:28",""
"4135276","9.2451","0.0007","20.9753","0.0016","37.803","0.003","90","","90","","90","","7330.7","1","100","2","100.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C52 H32 N4 S -","- C52 H32 N4 S -","- C416 H256 N32 S8 -","8","1","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.1346","0.0627","","","0.1263","0.1601","","","","","","0.996","","","","has coordinates","258707","2020-11-04","01:22:28",""
"4135277","10.9982","0.0009","16.8852","0.0014","23.75","0.002","88.085","0.003","79.744","0.003","73.887","0.002","4169","0.6","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C105 H65 Cl3 N8 S2 -","- C105 H65 Cl3 N8 S2 -","- C210 H130 Cl6 N16 S4 -","2","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.157","0.0904","","","0.2195","0.2716","","","","","","1.017","","","","has coordinates,has disorder","258707","2020-11-04","01:22:28",""
"4135278","10.7744","0.0011","13.9056","0.0015","15.4119","0.0015","109.438","0.003","107.172","0.003","93.623","0.003","2046.7","0.4","170","","170","","","","","","","","","5","P 1","P 1","1","","","","- C53 H34 Cl2 N4 S -","- C53 H34 Cl2 N4 S -","- C106 H68 Cl4 N8 S2 -","2","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.169","0.0927","","","0.2361","0.3014","","","","","","1.015","","","","has coordinates,has disorder","258707","2020-11-04","01:22:28",""
"4135279","10.8332","0.0004","15.6637","0.0006","43.2298","0.0016","90","","92.527","0.002","90","","7328.4","0.5","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H32 N4 O -","- C52 H32 N4 O -","- C416 H256 N32 O8 -","8","4","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","1.54178","CuKα","","0.0982","0.0945","","","0.2557","0.2579","","","","","","1.074","","","","has coordinates","258707","2020-11-04","01:22:28",""
"4135280","8.9752","0.0003","12.9775","0.0004","14.8463","0.0005","71.874","0.001","85.865","0.001","84.038","0.001","1633.08","0.09","170","2","170","","","","","","","","","6","P 1","P 1","1","","","","- C69 H58 Cl2 F12 N4 O6 -","- C69 H58 Cl2 F12 N4 O6 -","- C69 H58 Cl2 F12 N4 O6 -","1","1","","Yao, Qi-Jun; Xie, Pei-Pei; Wu, Yong-Jie; Feng, Ya-Lan; Teng, Ming-Ya; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomeric Anilides via Pd(II)-Catalyzed Asymmetric C-H Olefination.","Journal of the American Chemical Society","2020","142","42","18266","18276","10.1021/jacs.0c09400","","","1.54178","CuKα","","0.0555","0.0551","","","0.1508","0.1514","","","","","","1.018","","","","has coordinates","258712","2020-11-04","01:24:51",""
"4135281","7.7185","0.0002","19.1801","0.0006","8.914","0.0003","90","","97.217","0.001","90","","1309.19","0.07","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H26 N2 O5 -","- C31 H26 N2 O5 -","- C62 H52 N4 O10 -","2","1","","Yao, Qi-Jun; Xie, Pei-Pei; Wu, Yong-Jie; Feng, Ya-Lan; Teng, Ming-Ya; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomeric Anilides via Pd(II)-Catalyzed Asymmetric C-H Olefination.","Journal of the American Chemical Society","2020","142","42","18266","18276","10.1021/jacs.0c09400","","","1.54178","CuKα","","0.0287","0.0287","","","0.0731","0.0732","","","","","","1.064","","","","has coordinates","258712","2020-11-04","01:24:51",""
"4135283","7.818","0.0007","10.0517","0.0009","13.0676","0.0011","95.658","0.002","91.485","0.002","94.652","0.002","1017.94","0.15","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H28 B10 -","- C17 H24 B10 -","- C34 H48 B20 -","2","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1212","0.0809","","","0.2417","0.2847","","","","","","1.035","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135284","11.0304","0.0013","9.9701","0.0012","15.231","0.0017","90","","107.563","0.008","90","","1596.9","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 B10 -","- C11 H18 B10 -","- C44 H72 B40 -","4","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1292","0.066","","","0.1595","0.198","","","","","","1.01","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135285","10.5403","0.0005","14.201","0.0005","15.1636","0.0006","65.4693","0.0019","75.0948","0.0019","71.5823","0.0019","1938.09","0.14","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H26 B10 -","- C15 H26 B10 -","- C60 H104 B40 -","4","2","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1255","0.0832","","","0.25","0.2931","","","","","","1.028","","","","has coordinates,has disorder","258711","2020-11-04","01:24:27",""
"4135286","16.7399","0.0007","12.5493","0.0005","22.3515","0.0011","90","","90","","90","","4695.5","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H34 B10 -","- C19 H34 B10 -","- C152 H272 B80 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1748","0.0936","","","0.246","0.2951","","","","","","1.023","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135287","15.046","0.0003","7.8624","0.0002","15.3076","0.0003","90","","95.3224","0.0012","90","","1803.05","0.07","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 B10 -","- C15 H20 B10 -","- C60 H80 B40 -","4","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.0593","0.0503","","","0.1416","0.1512","","","","","","1.072","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135288","26.7508","0.0014","8.5536","0.0004","25.4822","0.0012","90","","118.6","0.0015","90","","5119.3","0.4","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H37 B10 N O -","- C20 H37 B10 N O -","- C160 H296 B80 N8 O8 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1008","0.0601","","","0.136","0.157","","","","","","1.036","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135289","16.4151","0.0008","12.5821","0.0006","21.684","0.0012","90","","90","","90","","4478.5","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H32 B10 -","- C18 H32 B10 -","- C144 H256 B80 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.0996","0.0625","","","0.1652","0.1942","","","","","","1.024","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135290","30.0485","0.0014","10.8314","0.0005","23.7342","0.0011","90","","102.004","0.0015","90","","7555.8","0.6","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H50 B20 -","- C28 H50 B20 -","- C224 H400 B160 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1013","0.0657","","","0.1756","0.206","","","","","","1.031","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135291","15.086","0.0007","12.9393","0.0006","11.5931","0.0005","90","","102.262","0.0014","90","","2211.37","0.17","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 B10 -","- C18 H32 B10 -","- C72 H128 B40 -","4","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1014","0.0599","","","0.137","0.1618","","","","","","1.051","","","","has coordinates,has disorder","258711","2020-11-04","01:24:27",""
"4135292","14.3162","0.0005","7.2812","0.0003","19.0278","0.0007","90","","90","","90","","1983.44","0.13","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H26 B10 O -","- C15 H26 B10 O -","- C60 H104 B40 O4 -","4","0.5","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.0656","0.0564","","","0.1589","0.1723","","","","","","1.06","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135293","7.0829","0.0002","24.8661","0.0007","10.414","0.0003","90","","130.943","0.0011","90","","1385.45","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 B20 -","- C16 H30 B20 -","- C32 H60 B40 -","2","0.5","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.077","0.0557","","","0.1557","0.1715","","","","","","1.056","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135300","8.0553","0.0005","10.2611","0.0006","10.6161","0.0007","90","","90","","90","","877.49","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-(S,S,S)-1-methyl-1-ethynyl-1- (5-methyl-tetrahydrofuran-2-yl)-methanol","","- C9 H14 O2 -","- C9 H14 O2 -","- C36 H56 O8 -","4","1","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","Mo-Kα","","0.0521","0.0384","","","0.0918","0.0988","","","","","","1.037","","","","has coordinates","258710","2020-11-04","01:23:31",""
"4135301","13.8465","0.0006","6.4641","0.0003","11.3247","0.0005","90","","107.264","0.002","90","","967.95","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(trimethylsilyl)methyl-(5H)-furan-2-one","","- C8 H14 O2 Si -","- C8 H14 O2 Si -","- C32 H56 O8 Si4 -","4","1","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","1.54178","Cu-Kα","","0.0368","0.0322","","","0.0827","0.0863","","","","","","1.046","","","","has coordinates","258710","2020-11-04","01:23:34",""
"4135302","12.5303","0.0015","5.8923","0.0005","20.003","0.003","90","","91.647","0.01","90","","1476.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-spirocyclohexane-3(H)-4(phenylcarboxy)-5(methoxy)-furan","","- C17 H22 O3 -","- C17 H22 O3 -","- C68 H88 O12 -","4","1","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","MoKα","","0.0583","0.0383","","","0.0892","0.0965","","","","","","1.039","","","","has coordinates","258710","2020-11-04","01:23:34",""
"4135303","19.802","0.003","16.26","0.002","23.261","0.002","90","","107.91","0.008","90","","7126.6","1.6","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(hapto-3-(1-(methoxycyclohexyl)-hex-5-ene-2-ylidenyl))- (hapto-5-pentamethylcyclopentadienyl)-chloro-ruthenium(ii)","","- C25 H41 Cl O Ru -","- C25 H41 Cl O Ru -","- C300 H492 Cl12 O12 Ru12 -","12","6","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","MoKα","","0.1196","0.0809","","","0.1991","0.2286","","","","","","1.061","","","","has coordinates,has disorder","258710","2020-11-04","01:23:34",""
"4135304","8.9181","0.0004","21.7716","0.0009","9.155","0.0004","90","","94.822","0.002","90","","1771.26","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","rac-(S,S,R)-1-methyl-1-ethynyl-1- (5-methyl-tetrahydrofuran-2-yl)-methanol","","- C9 H14 O2 -","- C9 H14 O2 -","- C72 H112 O16 -","8","2","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","Mo-Kα","","0.0657","0.043","","","0.1111","0.1237","","","","","","1.034","","","","has coordinates,has disorder","258710","2020-11-04","01:23:34",""
"4135305","10.5379","0.0006","15.712","0.001","20.9915","0.0014","89.81","0.003","89.849","0.003","84.937","0.003","3462","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1,2-di(triemthylsilyl)-3,4-di(3,3-dimethyl- prop-2-en-1-yl-carboxylato)-cyclobutadienyl- pentamethylcyclopentadienyl-chloro-ruthenium(II)","","- C32 H51 Cl O4 Ru Si2 -","- C32 H51 Cl O4 Ru Si2 -","- C128 H204 Cl4 O16 Ru4 Si8 -","4","2","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","Mo-Kα","","0.0792","0.046","","","0.1014","0.1147","","","","","","1.013","","","","has coordinates,has disorder","258710","2020-11-04","01:23:35",""
"4135332","39.5169","0.0007","11.9534","0.0002","12.6942","0.0002","90","","90","","90","","5996.25","0.17","170","2","169.97","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C29 H33 N O4 S -","- C29 H33 N O4 S -","- C232 H264 N8 O32 S8 -","8","2","","Wang, Ye; Zhang, Wen-Yun; Xie, Jia-Hao; Yu, Zong-Lun; Tan, Jia-Hao; Zheng, Chao; Hou, Xue-Long; You, Shu-Li","Enantioselective Desymmetrization of Bisphenol Derivatives via Ir-Catalyzed Allylic Dearomatization.","Journal of the American Chemical Society","2020","142","45","19354","19359","10.1021/jacs.0c09638","","","1.34139","GaKα","","0.063","0.0488","","","0.1203","0.129","","","","","","1.043","","","","has coordinates","259525","2020-12-04","02:23:31",""
"4135333","27.8647","0.0009","8.5749","0.0003","12.588","0.0004","90","","94.3636","0.0013","90","","2999.02","0.17","296","2","296.15","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C29 H38 O11 -","- C29 H38 O11 -","- C116 H152 O44 -","4","1","","Wang, Ye; Zhang, Wen-Yun; Xie, Jia-Hao; Yu, Zong-Lun; Tan, Jia-Hao; Zheng, Chao; Hou, Xue-Long; You, Shu-Li","Enantioselective Desymmetrization of Bisphenol Derivatives via Ir-Catalyzed Allylic Dearomatization.","Journal of the American Chemical Society","2020","142","45","19354","19359","10.1021/jacs.0c09638","","","1.54178","CuKα","","0.046","0.0442","","","0.1053","0.1065","","","","","","1.119","","","","has coordinates","259525","2020-12-04","02:23:41",""
"4135334","12.452","0.003","26.389","0.007","36.476","0.009","90","","90","","90","","11986","5","170.15","","170.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H62 Cl9 N3 O12 -","- C54 H62 Cl9 N3 O12 -","- C432 H496 Cl72 N24 O96 -","8","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","0.71073","MoKα","","0.083","0.0675","","","0.1803","0.1952","","","","","","1.027","","","","has coordinates,has disorder","259515","2020-12-04","02:18:54",""
"4135335","11.1358","0.0019","11.707","0.0019","27.45","0.005","80.177","0.005","82.927","0.006","70.428","0.005","3314","1","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H82 Cl8 N4 O17 -","- C55 H82 Cl8 N4 O17 -","- C110 H164 Cl16 N8 O34 -","2","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","0.71073","MoKα","","0.1333","0.0871","","","0.2195","0.2486","","","","","","1.028","","","","has coordinates,has disorder","259515","2020-12-04","02:18:55",""
"4135336","20.2673","0.0006","12.7006","0.0004","20.9446","0.0006","90","","108.196","0.001","90","","5121.7","0.3","170","2","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C53 H71 N3 O16 -","- C53 H71 N3 O16 -","- C212 H284 N12 O64 -","4","0.5","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","0.71073","MoKα","","0.0763","0.0651","","","0.1792","0.1914","","","","","","1.032","","","","has coordinates,has disorder","259515","2020-12-04","02:18:55",""
"4135337","12.0165","0.0005","18.208","0.0008","25.1259","0.0011","90","","90","","90","","5497.5","0.4","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H76 N4 O15 -","- C56 H76 N4 O15 -","- C224 H304 N16 O60 -","4","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","1.54178","CuKα","","0.0591","0.0564","","","0.1599","0.1631","","","","","","1.062","","","","has coordinates,has disorder","259515","2020-12-04","02:18:55",""
"4135338","11.8167","0.0009","19.4344","0.0018","20.4342","0.0017","90","","95.609","0.003","90","","4670.3","0.7","170","2","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H60 Cl N3 O12 -","- C51 H60 Cl N3 O12 -","- C204 H240 Cl4 N12 O48 -","4","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","0.71073","MoKα","","0.0805","0.064","","","0.1668","0.1826","","","","","","1.082","","","","has coordinates","259515","2020-12-04","02:18:55",""
"4135339","21.5851","0.0011","14.7231","0.0008","15.1871","0.0008","90","","94.212","0.002","90","","4813.4","0.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C108 H112 O Si4 -","- C116 H128 O2 Si4 -","- C232 H256 O4 Si8 -","2","0.5","","Bergman, Harrison M.; Kiel, Gavin R.; Witzke, Ryan J.; Nenon, David P.; Schwartzberg, Adam M.; Liu, Yi; Tilley, T. Don","Shape-Selective Synthesis of Pentacene Macrocycles and the Effect of Geometry on Singlet Fission.","Journal of the American Chemical Society","2020","142","47","19850","19855","10.1021/jacs.0c09941","","x-ray","0.7288","synchrotron","","0.105","0.0899","","","0.2502","0.2642","","","","","","1.097","","","","has coordinates,has disorder","259516","2020-12-04","02:19:53",""
"4135340","21.0146","0.0009","17.8252","0.0008","16.958","0.0007","90","","90.02","0.002","90","","6352.3","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C156 H146 O4 Si4 -","- C156 H164 O4 Si4 -","- C312 H328 O8 Si8 -","2","0.5","","Bergman, Harrison M.; Kiel, Gavin R.; Witzke, Ryan J.; Nenon, David P.; Schwartzberg, Adam M.; Liu, Yi; Tilley, T. Don","Shape-Selective Synthesis of Pentacene Macrocycles and the Effect of Geometry on Singlet Fission.","Journal of the American Chemical Society","2020","142","47","19850","19855","10.1021/jacs.0c09941","","","0.7288","synchrotron","","0.084","0.0644","","","0.1551","0.1687","","","","","","1.038","","","","has coordinates,has disorder","259516","2020-12-04","02:19:54",""
"4135341","11.8612","0.0005","14.1474","0.0007","14.9784","0.0008","100.353","0.002","102.176","0.002","107.043","0.002","2269.2","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C106 H70 Cl18 -","- C106 H70 Cl18 -","- C106 H70 Cl18 -","1","0.5","","Bergman, Harrison M.; Kiel, Gavin R.; Witzke, Ryan J.; Nenon, David P.; Schwartzberg, Adam M.; Liu, Yi; Tilley, T. Don","Shape-Selective Synthesis of Pentacene Macrocycles and the Effect of Geometry on Singlet Fission.","Journal of the American Chemical Society","2020","142","47","19850","19855","10.1021/jacs.0c09941","","","0.7288","synchrotron","","0.1224","0.0892","","","0.2729","0.2902","","","","","","1.144","","","","has coordinates,has disorder","259516","2020-12-04","02:19:54",""
"4135342","26.7857","0.0015","12.5558","0.0007","25.1482","0.0014","90","","118.957","0.003","90","","7400.4","0.7","170","2","170.02","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C76 H95 O14 -","- C76 H95 O14 -","- C304 H380 O56 -","4","0.5","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.1509","0.1408","","","0.3477","0.3525","","","","","","0.922","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135343","13.5823","0.0003","22.8453","0.0006","20.4508","0.0005","90","","100.373","0.001","90","","6242","0.3","170","2","170.02","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C67 H86 O12 -","- C67 H86 O12 -","- C268 H344 O48 -","4","1","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.0608","0.0512","","","0.1311","0.1398","","","","","","1.022","","","","has coordinates","259514","2020-12-04","02:18:29",""
"4135344","14.1746","0.0004","16.4665","0.0006","19.6666","0.0006","79.172","0.002","77.599","0.002","72.479","0.002","4237.6","0.2","170","2","169.97","","","","","","","","","4","P -1","-P 1","2","","","","- C71 H78 Br12 O13 -","- C71 H78 Br12 O13 -","- C142 H156 Br24 O26 -","2","1","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.1333","0.1095","","","0.2601","0.2756","","","","","","0.925","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135345","28.6532","0.0017","12.3731","0.0008","44.242","0.003","90","","108.836","0.002","90","","14845.1","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C67 H76 Br10 O12 -","- C67 H76 Br10 O12 -","- C536 H608 Br80 O96 -","8","1","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.54178","CuKα","","0.2183","0.1619","","","0.3888","0.4225","","","","","","1.563","","","","has coordinates","259514","2020-12-04","02:18:29",""
"4135346","12.8203","0.0003","12.9026","0.0003","12.9306","0.0003","61.278","0.001","73.375","0.001","78.559","0.001","1792.62","0.07","170","2","169.99","","","","","","","","","3","P -1","-P 1","2","","","","- C78 H100 O14 -","- C78 H100 O14 -","- C78 H100 O14 -","1","0.5","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.0578","0.0543","","","0.147","0.1518","","","","","","1.037","","","","has coordinates","259514","2020-12-04","02:18:29",""
"4135347","13.8496","0.0002","23.998","0.0003","25.2072","0.0003","90","","90","","90","","8377.93","0.19","170","2","169.99","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C78 H88 Br12 O14 -","- C78 H88 Br12 O14 -","- C312 H352 Br48 O56 -","4","0.5","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.0421","0.0391","","","0.1017","0.1041","","","","","","1.037","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135348","24.4691","0.0009","20.7774","0.0008","12.8545","0.0005","90","","90","","90","","6535.3","0.4","170","2","169.98","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C60 H66 Br10 O11 -","- C60 H66 Br10 O11 -","- C240 H264 Br40 O44 -","4","0.5","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.1304","0.0982","","","0.2904","0.3197","","","","","","1.173","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135349","13.167","0.003","14.706","0.004","30.336","0.007","87.834","0.008","86.789","0.008","85.765","0.009","5845","2","170","2","170.15","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H76 O11 -","- C60 H76 O11 -","- C240 H304 O44 -","4","2","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.204","0.1337","","","0.3072","0.3712","","","","","","0.788","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135350","8.8938","0.0003","5.9958","0.0002","9.519","0.0003","90","","94.883","0.001","90","","505.76","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 Br N -","- C11 H14 Br N -","- C22 H28 Br2 N2 -","2","1","","Yan, Xingchen; Ge, Luo; Castiñeira Reis, Marta; Harutyunyan, Syuzanna R.","Nucleophilic Dearomatization of N-Heteroaromatics Enabled by Lewis Acids and Copper Catalysis.","Journal of the American Chemical Society","2020","142","47","20247","20256","10.1021/jacs.0c09974","","","1.54178","CuKα","","0.0176","0.0174","","","0.042","0.0421","","","","","","1.076","","","","has coordinates","259518","2020-12-04","02:20:24",""
"4135351","11.3762","0.0003","12.0964","0.0003","18.5162","0.0005","98.867","0.001","102.089","0.001","113.854","0.001","2195.93","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H68 O3 Si3 Ti3 -","- C39 H68 O3 Si3 Ti3 -","- C78 H136 O6 Si6 Ti6 -","2","1","","Hu, Shaowei; Shima, Takanori; Hou, Zhaomin","Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.","Journal of the American Chemical Society","2020","142","47","19889","19894","10.1021/jacs.0c10403","","","0.71073","MoKα","","0.0589","0.0472","","","0.1187","0.1254","","","","","","1.029","","","","has coordinates","259519","2020-12-04","02:20:46",""
"4135352","10.0717","0.0017","11.556","0.002","12.004","0.002","61.262","0.006","73.979","0.006","81.524","0.006","1177.3","0.4","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C41 H70 O5 Si3 Ti3 -","- C41 H70 O5 Si3 Ti3 -","- C41 H70 O5 Si3 Ti3 -","1","1","","Hu, Shaowei; Shima, Takanori; Hou, Zhaomin","Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.","Journal of the American Chemical Society","2020","142","47","19889","19894","10.1021/jacs.0c10403","","","0.71073","MoKα","","0.0465","0.0385","","","0.0925","0.0966","","","","","","1.006","","","","has coordinates","259519","2020-12-04","02:20:46",""
"4135353","8.7584","0.0015","14.858","0.002","20.54","0.004","70.651","0.005","86.515","0.006","78.122","0.006","2467.9","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H36.5 N0.5 O2.5 Si1.5 Ti1.5 -","- C23 H36.5 N0.5 O2.5 Si1.5 Ti1.5 -","- C92 H146 N2 O10 Si6 Ti6 -","4","2","","Hu, Shaowei; Shima, Takanori; Hou, Zhaomin","Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.","Journal of the American Chemical Society","2020","142","47","19889","19894","10.1021/jacs.0c10403","","","0.71073","MoKα","","0.14","0.0608","","","0.1069","0.1305","","","","","","1.003","","","","has coordinates","259519","2020-12-04","02:20:46",""
"4135354","20.8973","0.0011","11.6751","0.0006","19.2927","0.0011","90","","90","","90","","4707","0.4","173.15","","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H70 O5 Si3 Ti3 -","- C41 H70 O5 Si3 Ti3 -","- C164 H280 O20 Si12 Ti12 -","4","1","","Hu, Shaowei; Shima, Takanori; Hou, Zhaomin","Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.","Journal of the American Chemical Society","2020","142","47","19889","19894","10.1021/jacs.0c10403","","","0.71073","MoKα","","0.0613","0.0587","","","0.1585","0.1611","","","","","","1.036","","","","has coordinates,has disorder","259519","2020-12-04","02:20:46",""
"4135355","7.19727","0.00016","10.5288","0.0002","24.3626","0.0006","90","","90","","90","","1846.16","0.07","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Cl2 Fe N2 -","- C14 H28 Cl2 Fe N2 -","- C56 H112 Cl8 Fe4 N8 -","4","1","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","0.71073","MoKα","","0.0442","0.0365","","","0.0782","0.0821","","","","","","1.062","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135356","10.40448","0.00016","10.40448","0.00016","9.2611","0.0002","90","","90","","90","","1002.54","0.03","140","0.1","140","0.1","","","","","","","","5","P 42","P 4c","77","","","","- C20 H24 Cl2 Fe N2 -","- C20 H24 Cl2 Fe N2 -","- C40 H48 Cl4 Fe2 N4 -","2","0.5","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","0.71073","MoKα","","0.0291","0.0259","","","0.0616","0.0633","","","","","","1.04","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135357","7.33605","0.00014","11.0844","0.0002","26.8365","0.0005","90","","90","","90","","2182.23","0.07","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 Cl2 Fe N2 -","- C18 H36 Cl2 Fe N2 -","- C72 H144 Cl8 Fe4 N8 -","4","1","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","1.54184","CuKα","","0.0236","0.0231","","","0.0607","0.0612","","","","","","1.036","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135358","14.5785","0.0005","11.9443","0.0004","10.9829","0.0005","90","","90","","90","","1912.45","0.13","140","0.1","140","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C46 H52 Cl2 Rh2 -","- C46 H52 Cl2 Rh2 -","- C92 H104 Cl4 Rh4 -","2","0.5","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","0.71073","MoKα","","0.0343","0.027","","","0.0504","0.0536","","","","","","1.054","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135359","10.7128","0.0015","12.9374","0.0017","32.667","0.004","90","","96.259","0.003","90","","4500.5","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H102 Cl4 N6 O16 Rh4 -","- C90 H102 Cl4 N6 O16 Rh4 -","- C180 H204 Cl8 N12 O32 Rh8 -","2","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","","0.41328","synchrotron","","0.0431","0.0362","","","0.0871","0.0902","","","","","","1.078","","","","has coordinates","259520","2020-12-04","02:21:12",""
"4135360","12.8813","0.0018","12.9498","0.0018","18.331","0.003","90","","102.871","0.002","90","","2981","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 Cl6 N6 O8 Rh2 -","- C58 H60 Cl6 N6 O8 Rh2 -","- C116 H120 Cl12 N12 O16 Rh4 -","2","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","","0.41328","synchrotron","","0.0603","0.0449","","","0.1081","0.1173","","","","","","1.054","","","","has coordinates","259520","2020-12-04","02:21:12",""
"4135361","15.6237","0.0009","17.2551","0.0008","19.6274","0.0013","111.577","0.002","94.521","0.002","96.215","0.002","4851.2","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C184 H204 Cl24 N4 O32 Rh8 -","- C184 H204 Cl24 N4 O32 Rh8 -","- C184 H204 Cl24 N4 O32 Rh8 -","1","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","x-ray","0.71073","MoKα","","0.0465","0.0386","","","0.0819","0.0854","","","","","","1.101","","","","has coordinates","259520","2020-12-04","02:21:12",""
"4135362","10.9316","0.0008","12.9312","0.0009","32.433","0.002","90","","99.31","0.001","90","","4524.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H102 Cl4 N6 O16 Rh4 -","- C90 H102 Cl4 N6 O16 Rh4 -","- C180 H204 Cl8 N12 O32 Rh8 -","2","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","","0.41328","synchrotron","","0.0508","0.042","","","0.1101","0.1156","","","","","","1.045","","","","has coordinates","259520","2020-12-04","02:21:12",""
"4135363","12.961","0.002","12.909","0.002","18.381","0.003","90","","100.334","0.002","90","","3025.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 Cl6 N4.28 O8 Rh2 -","- C58 H60 Cl6 N4.276 O8 Rh2 -","- C116 H120 Cl12 N8.552 O16 Rh4 -","2","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","","0.41328","synchrotron","","0.0615","0.0447","","","0.1149","0.1242","","","","","","1.082","","","","has coordinates,has disorder","259520","2020-12-04","02:21:12",""
"4135364","7.9196","0.0003","8.505","0.0004","27.304","0.0012","90","","90","","90","","1839.09","0.14","170","2","169.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N O2 P -","- C20 H26 N O2 P -","- C80 H104 N4 O8 P4 -","4","1","","Li, Yan-Bo; Tian, Hu; Yin, Liang","Copper(I)-Catalyzed Asymmetric 1,4-Conjugate Hydrophosphination of α,β-Unsaturated Amides.","Journal of the American Chemical Society","2020","142","47","20098","20106","10.1021/jacs.0c09654","","","1.34139","GaKα","","0.0613","0.0479","","","0.1076","0.117","","","","","","1.039","","","","has coordinates","259521","2020-12-04","02:21:26",""
"4135365","16.0085","0.0003","7.8446","0.0002","16.2448","0.0004","90","","93.22","0.001","90","","2036.81","0.08","170","2","169.99","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H28 N O2 P -","- C21 H28 N O2 P -","- C84 H112 N4 O8 P4 -","4","1","","Li, Yan-Bo; Tian, Hu; Yin, Liang","Copper(I)-Catalyzed Asymmetric 1,4-Conjugate Hydrophosphination of α,β-Unsaturated Amides.","Journal of the American Chemical Society","2020","142","47","20098","20106","10.1021/jacs.0c09654","","","1.34139","GaKα","","0.0391","0.0366","","","0.0946","0.097","","","","","","1.056","","","","has coordinates","259521","2020-12-04","02:21:26",""
"4135366","10.6291","0.0003","31.7456","0.0008","11.4376","0.0003","90","","92.961","0.001","90","","3854.2","0.18","193","","193.01","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H41 Cl N2 O4 P2 Pd -","- C40 H41 Cl N2 O4 P2 Pd -","- C160 H164 Cl4 N8 O16 P8 Pd4 -","4","2","","Li, Yan-Bo; Tian, Hu; Yin, Liang","Copper(I)-Catalyzed Asymmetric 1,4-Conjugate Hydrophosphination of α,β-Unsaturated Amides.","Journal of the American Chemical Society","2020","142","47","20098","20106","10.1021/jacs.0c09654","","","0.71073","MoKα","","0.0357","0.032","","","0.0962","0.1021","","","","","","0.808","","","","has coordinates","259521","2020-12-04","02:21:26",""
"4135367","19.3198","0.0009","19.3198","0.0009","20.7955","0.0013","90","","90","","120","","6722.1","0.6","193","2","193","2","","","","","","","","6","P 61","P 61","169","","","","- C32 H22 Mn2 Ni O10 S4 -","- C32 H20 Mn2 Ni O10 S4 -","- C192 H120 Mn12 Ni6 O60 S24 -","6","1","","Zhou, Yan; Hu, Qin; Yu, Fei; Ran, Guang-Ying; Wang, Hai-Ying; Shepherd, Nicholas D.; D'Alessandro, Deanna M; Kurmoo, Mohamedally; Zuo, Jing-Lin","A Metal-Organic Framework Based on a Nickel Bis(dithiolene) Connector: Synthesis, Crystal Structure, and Application as an Electrochemical Glucose Sensor.","Journal of the American Chemical Society","2020","142","48","20313","20317","10.1021/jacs.0c09009","","","1.34139","GaKα","","0.098","0.0673","","","0.1688","0.1874","","","","","","1.018","","","","has coordinates","259522","2020-12-04","02:21:42",""
"4135368","13.408","0.002","18.225","0.002","7.9041","0.0011","90","","94.302","0.006","90","","1926","0.4","150","","150","","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C108 H80 N8 O8 -","4","0.5","","Kasemthaveechok, Sitthichok; Abella, Laura; Jean, Marion; Cordier, Marie; Roisnel, Thierry; Vanthuyne, Nicolas; Guizouarn, Thierry; Cador, Olivier; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Axially and Helically Chiral Cationic Radical Bicarbazoles: SOMO-HOMO Level Inversion and Chirality Impact on the Stability of Mono- and Diradical Cations.","Journal of the American Chemical Society","2020","142","48","20409","20418","10.1021/jacs.0c08948","","x-ray","0.71073","MoKα","","0.0697","0.0572","","","0.1507","0.1631","","","","","","1.063","","","","has coordinates","259524","2020-12-04","02:22:29",""
"4135369","16.902","0.003","9.9528","0.0018","17.758","0.002","90","","99.9","0.006","90","","2942.8","0.8","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 N2 O2 -","- C35 H36 N2 O2 -","- C140 H144 N8 O8 -","4","1","","Kasemthaveechok, Sitthichok; Abella, Laura; Jean, Marion; Cordier, Marie; Roisnel, Thierry; Vanthuyne, Nicolas; Guizouarn, Thierry; Cador, Olivier; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Axially and Helically Chiral Cationic Radical Bicarbazoles: SOMO-HOMO Level Inversion and Chirality Impact on the Stability of Mono- and Diradical Cations.","Journal of the American Chemical Society","2020","142","48","20409","20418","10.1021/jacs.0c08948","","x-ray","0.71073","MoKα","","0.1255","0.0917","","","0.2346","0.2641","","","","","","1.078","","","","has coordinates,has disorder","259524","2020-12-04","02:22:37",""
"4135370","13.139","0.0017","34.437","0.005","13.4698","0.0019","90","","92.046","0.005","90","","6090.8","1.5","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 N2 O2 -","- C36 H40 N2 O2 -","- C288 H320 N16 O16 -","8","2","","Kasemthaveechok, Sitthichok; Abella, Laura; Jean, Marion; Cordier, Marie; Roisnel, Thierry; Vanthuyne, Nicolas; Guizouarn, Thierry; Cador, Olivier; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Axially and Helically Chiral Cationic Radical Bicarbazoles: SOMO-HOMO Level Inversion and Chirality Impact on the Stability of Mono- and Diradical Cations.","Journal of the American Chemical Society","2020","142","48","20409","20418","10.1021/jacs.0c08948","","x-ray","0.71073","MoKα","","0.092","0.0601","","","0.1397","0.1577","","","","","","0.992","","","","has coordinates","259524","2020-12-04","02:22:43",""
"4135371","9.5316","0.001","9.9882","0.0011","12.1305","0.0013","74.757","0.004","77.144","0.004","74.314","0.004","1058.4","0.2","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C56 H48 N4 O4 -","2","1","","Kasemthaveechok, Sitthichok; Abella, Laura; Jean, Marion; Cordier, Marie; Roisnel, Thierry; Vanthuyne, Nicolas; Guizouarn, Thierry; Cador, Olivier; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Axially and Helically Chiral Cationic Radical Bicarbazoles: SOMO-HOMO Level Inversion and Chirality Impact on the Stability of Mono- and Diradical Cations.","Journal of the American Chemical Society","2020","142","48","20409","20418","10.1021/jacs.0c08948","","x-ray","0.71073","MoKα","","0.0619","0.0466","","","0.1179","0.1269","","","","","","1.045","","","","has coordinates,has disorder","259524","2020-12-04","02:22:44",""
"4135372","10.1005","0.0005","11.4816","0.0006","15.6108","0.0008","84.1313","0.0017","74.5085","0.0015","70.8989","0.0015","1648.34","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N3 O2 -","- C19 H23 N3 O2 -","- C76 H92 N12 O8 -","4","2","","Jeon, Jinwon; Lee, Changseok; Seo, Huiyeong; Hong, Sungwoo","NiH-Catalyzed Proximal-Selective Hydroamination of Unactivated Alkenes.","Journal of the American Chemical Society","2020","142","48","20470","20480","10.1021/jacs.0c10333","","","0.71073","MoKα","","0.0581","0.0479","","","0.1065","0.1132","","","","","","1.076","","","","has coordinates,has disorder","259523","2020-12-04","02:21:58",""
"4135373","12.1484","0.0005","12.2854","0.0005","24.5486","0.0009","90","","98.0774","0.0014","90","","3627.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C160 H200 N24 O16 -","8","2","","Jeon, Jinwon; Lee, Changseok; Seo, Huiyeong; Hong, Sungwoo","NiH-Catalyzed Proximal-Selective Hydroamination of Unactivated Alkenes.","Journal of the American Chemical Society","2020","142","48","20470","20480","10.1021/jacs.0c10333","","","0.71073","MoKα","","0.0922","0.0695","","","0.137","0.1463","","","","","","1.138","","","","has coordinates,has disorder","259523","2020-12-04","02:22:07",""
"4135382","15.0983","0.0004","19.1026","0.0005","10.0922","0.0002","90","","90","","90","","2910.76","0.12","120","","120.01","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C27 H39 Al N3 O2 P2 Rh -","- C27 H39 Al N3 O2 P2 Rh -","- C108 H156 Al4 N12 O8 P8 Rh4 -","4","0.5","","Lai, Qingheng; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Unexpected B/Al Transelementation within a Rh Pincer Complex.","Journal of the American Chemical Society","2020","142","50","20920","20923","10.1021/jacs.0c09344","","x-ray","0.71073","MoKα","","0.0225","0.0194","","","0.0452","0.0476","","","","","","1.077","","","","has coordinates","260429","2021-01-04","03:14:30",""
"4135383","12.21","0.003","14.684","0.003","14.725","0.003","90","","111.369","0.006","90","","2458.6","0.9","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 B N2 O2 P2 Rh -","- C22 H34 B N2 O2 P2 Rh -","- C88 H136 B4 N8 O8 P8 Rh4 -","4","1","","Lai, Qingheng; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Unexpected B/Al Transelementation within a Rh Pincer Complex.","Journal of the American Chemical Society","2020","142","50","20920","20923","10.1021/jacs.0c09344","","","0.71073","MoKα","","0.0526","0.0472","","","0.1068","0.1086","","","","","","1.318","","","","has coordinates,has disorder","260429","2021-01-04","03:14:40",""
"4135384","15.278","0.0005","9.6009","0.0003","19.5396","0.0006","90","","93.389","0.002","90","","2861.11","0.16","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H76 Al2 N4 O4 P4 Rh2 -","- C51 H76 Al2 N4 O4 P4 Rh2 -","- C102 H152 Al4 N8 O8 P8 Rh4 -","2","0.5","","Lai, Qingheng; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Unexpected B/Al Transelementation within a Rh Pincer Complex.","Journal of the American Chemical Society","2020","142","50","20920","20923","10.1021/jacs.0c09344","","","0.71073","MoKα","","0.0272","0.0213","","","0.0483","0.0509","","","","","","1.069","","","","has coordinates,has disorder","260429","2021-01-04","03:14:43",""
"4135385","9.22979","0.00012","12.58246","0.00017","12.86856","0.00016","90","","91.0663","0.0011","90","","1494.21","0.03","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br N O2 -","- C16 H16 Br N O2 -","- C64 H64 Br4 N4 O8 -","4","1","","Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao","Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.","Journal of the American Chemical Society","2020","142","50","20942","20947","10.1021/jacs.0c10707","","","1.54184","CuKα","","0.0432","0.0415","","","0.1115","0.1139","","","","","","1.055","","","","has coordinates","260430","2021-01-04","03:14:56",""
"4135386","8.70779","0.00014","9.8648","0.0002","18.3289","0.0003","90","","90","","90","","1574.46","0.05","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao","Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.","Journal of the American Chemical Society","2020","142","50","20942","20947","10.1021/jacs.0c10707","","","1.54184","CuKα","","0.0363","0.0351","","","0.0951","0.0966","","","","","","1.055","","","","has coordinates","260430","2021-01-04","03:14:56",""
"4135387","13.6755","0.0007","5.2979","0.0003","31.08","0.0014","90","","92.838","0.005","90","","2249","0.2","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H23 N -","- C33 H23 N -","- C132 H92 N4 -","4","1","","Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao","Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.","Journal of the American Chemical Society","2020","142","50","20942","20947","10.1021/jacs.0c10707","","","1.54184","CuKα","","0.1346","0.0719","","","0.1394","0.1787","","","","","","1.001","","","","has coordinates","260430","2021-01-04","03:14:56",""
"4135388","12.5632","0.0008","10.1388","0.0005","10.1456","0.0005","90","","96.467","0.005","90","","1284.08","0.12","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao","Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.","Journal of the American Chemical Society","2020","142","50","20942","20947","10.1021/jacs.0c10707","","","1.54184","CuKα","","0.0467","0.0428","","","0.1162","0.1203","","","","","","1.058","","","","has coordinates","260430","2021-01-04","03:14:56",""
"4135389","12.0621","0.0002","11.3639","0.0002","15.1141","0.0002","90","","90.006","0.002","90","","2071.73","0.06","103","5","103","5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Si3 -","- C20 H28 Si3 -","- C80 H112 Si12 -","4","1","","Lu, Lingxiang; Siu, Juno C.; Lai, Yihuan; Lin, Song","An Electroreductive Approach to Radical Silylation via the Activation of Strong Si-Cl Bond.","Journal of the American Chemical Society","2020","142","51","21272","21278","10.1021/jacs.0c10899","","x-ray","1.54184","CuKα","","0.052","0.0483","","","0.13","0.1328","","","","","","1.098","","","","has coordinates","260426","2021-01-04","03:12:40",""
"4135390","15.4791","0.0013","15.4791","0.0013","26.403","0.002","90","","90","","90","","6326.2","0.9","100","2","99.99","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C33.75 H36 Cl N2 Ni P2 -","- C33.75 H36 Cl N2 Ni P2 -","- C270 H288 Cl8 N16 Ni8 P16 -","8","1","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.71073","MoKα","","0.0611","0.0523","","","0.1476","0.1547","","","","","","1.131","","","","has coordinates,has disorder","260425","2021-01-04","03:12:23",""
"4135391","21.249","0.003","18.319","0.002","14.6841","0.0018","90","","101.772","0.001","90","","5595.7","1.2","15","2","15","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H68 Cl2 N6 P4 Pt2 -","- C62 H68 Cl2 N6 P4 Pt2 -","- C248 H272 Cl8 N24 P16 Pt8 -","4","1","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.24797","synchrotron","","0.0475","0.0463","","","0.1258","0.1262","","","","","","0.969","","","","has coordinates,has disorder","260425","2021-01-04","03:12:24",""
"4135392","18.9534","0.0009","8.4688","0.0004","21.9113","0.0011","90","","107.14","0.0018","90","","3360.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H37 N3 O P2 -","- C40 H37 N3 O P2 -","- C160 H148 N12 O4 P8 -","4","2","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.71073","MoKα","","0.1159","0.0942","","","0.2307","0.2543","","","","","","1.071","","","","has coordinates,has disorder","260425","2021-01-04","03:12:24",""
"4135393","15.426","0.003","15.426","0.003","26.835","0.006","90","","90","","90","","6386","2","15","2","15","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C131 H141 Cl4 F3 N12 P8 Pd4 -","- C131 H141 Cl4 F3 N12 P8 Pd4 -","- C262 H282 Cl8 F6 N24 P16 Pd8 -","2","0.25","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.24797","synchrotron","","0.0425","0.0371","","","0.097","0.1018","","","","","","1.087","","","","has coordinates,has disorder","260425","2021-01-04","03:12:24",""
"4135394","10.5457","0.0002","10.5457","0.0002","10.5457","0.0002","90","","90","","90","","1172.81","0.04","298","","298","","","","101","","","","synthetic","3","P m -3","-P 2 2 3","200","Fe-THQ","Fe-THQ","","- C18 Fe4 O24 -","- C18 Fe4 O24 -","- C36 Fe8 O48 -","2","0.0833333","","Chen, Gan; Gee, Leland B.; Xu, Wenqian; Zhu, Yanbing; Lezama-Pacheco, Juan S; Huang, Zhehao; Li, Zongqi; Babicz, Jr, Jeffrey T; Choudhury, Snehashis; Chang, Ting-Hsiang; Reed, Evan; Solomon, Edward I.; Bao, Zhenan","Valence-Dependent Electrical Conductivity in a 3D Tetrahydroxyquinone-Based Metal-Organic Framework.","Journal of the American Chemical Society","2020","142","51","21243","21248","10.1021/jacs.0c09379","powder diffraction","x-ray","0.44811","Synchrotronmono-beam","","","","","","","","0.0695","","4.485","","","","","","","has coordinates","260421","2021-01-04","03:10:05",""
"4135395","11.5159","0.0014","26.624","0.003","28.024","0.003","75.516","0.002","86.674","0.002","89.643","0.002","8304.7","1.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C162 H257 B3 Si9 -","- C162 H257 B3 Si9 -","- C324 H514 B6 Si18 -","2","1","","Heitkemper, Tobias; Sarcevic, Julijan; Sindlinger, Christian P.","A Neutral Silicon(II) Half-Sandwich Compound.","Journal of the American Chemical Society","2020","142","51","21304","21309","10.1021/jacs.0c11904","","","0.71073","MoKα","","0.1314","0.0946","","","0.2433","0.27","","","","","","1.11","","","","has coordinates,has disorder","260422","2021-01-04","03:10:38",""
"4135396","46.461","0.002","19.6539","0.0009","20.108","0.0009","90","","91.637","0.002","90","","18353.9","1.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C148 H192 Al2 B2 Cl8 F72 O10 Si6 -","- C148 H192 Al2 B2 Cl8 F72 O10 Si6 -","- C592 H768 Al8 B8 Cl32 F288 O40 Si24 -","4","1","","Heitkemper, Tobias; Sarcevic, Julijan; Sindlinger, Christian P.","A Neutral Silicon(II) Half-Sandwich Compound.","Journal of the American Chemical Society","2020","142","51","21304","21309","10.1021/jacs.0c11904","","","0.71073","MoKα","","0.1111","0.0906","","","0.2419","0.2611","","","","","","1.036","","","","has coordinates,has disorder","260422","2021-01-04","03:10:48",""
"4135397","10.6412","0.0019","13.78","0.003","21.703","0.004","73.982","0.003","80.257","0.003","88.739","0.003","3013.7","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H101 B Li2 O2 Si2 -","- C60 H101 B Li2 O2 Si2 -","- C120 H202 B2 Li4 O4 Si4 -","2","1","","Heitkemper, Tobias; Sarcevic, Julijan; Sindlinger, Christian P.","A Neutral Silicon(II) Half-Sandwich Compound.","Journal of the American Chemical Society","2020","142","51","21304","21309","10.1021/jacs.0c11904","","","0.71073","MoKα","","0.0572","0.0438","","","0.1106","0.1191","","","","","","1.036","","","","has coordinates,has disorder","260422","2021-01-04","03:10:50",""
"4135398","17.3585","0.0003","7.8792","0.0001","21.9818","0.0005","90","","112.747","0.002","90","","2772.63","0.1","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 As F6 N7 Pt -","- C29 H18 As F6 N7 Pt -","- C116 H72 As4 F24 N28 Pt4 -","4","1","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0232","0.0168","","","0.0364","0.0377","","","","","","0.945","","","","has coordinates","260423","2021-01-04","03:11:22",""
"4135399","26.3591","0.0005","15.2165","0.0003","19.67","0.0007","90","","118.351","0.001","90","","6943.2","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H72 As2 Cl2 N14 Pt2 -","- C71 H72 As2 Cl2 N14 Pt2 -","- C284 H288 As8 Cl8 N56 Pt8 -","4","0.5","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0412","0.0285","","","0.0654","0.0689","","","","","","1.024","","","","has coordinates,has disorder","260423","2021-01-04","03:11:30",""
"4135400","17.3133","0.0003","7.8025","0.0001","21.8762","0.0004","90","","112.753","0.001","90","","2725.22","0.08","456","2","456","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 F6 N7 P Pt -","- C29 H18 F6 N7 P Pt -","- C116 H72 F24 N28 P4 Pt4 -","4","1","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0353","0.0246","","","0.0523","0.0541","","","","","","0.943","","","","has coordinates","260423","2021-01-04","03:11:33",""
"4135401","27.3367","0.0014","15.1157","0.0008","19.6084","0.001","90","","116.709","0.001","90","","7237.9","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H36 Cl N7 Pt Sb -","- C35.501 H36 Cl1.002 N7 Pt Sb -","- C284.008 H288 Cl8.016 N56 Pt8 Sb8 -","8","1","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0415","0.0358","","","0.0827","0.0883","","","","","","1.173","","","","has coordinates,has disorder","260423","2021-01-04","03:11:36",""
"4135402","17.3569","0.0005","8.0541","0.0002","21.9642","0.0006","90","","113.066","0.002","90","","2825","0.14","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 F6 N7 Pt Sb -","- C29 H18 F6 N7 Pt Sb -","- C116 H72 F24 N28 Pt4 Sb4 -","4","1","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0309","0.0207","","","0.0422","0.0439","","","","","","0.983","","","","has coordinates","260423","2021-01-04","03:11:45",""
"4135403","11.6432","0.0011","12.2106","0.001","15.1043","0.0016","94.218","0.007","105.721","0.007","114.863","0.005","1831.8","0.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H34 Cl6 N2 O6 -","- C38 H34 Cl6 N2 O6 -","- C76 H68 Cl12 N4 O12 -","2","1","","Saal, Fridolin; Zhang, Fangyuan; Holzapfel, Marco; Stolte, Matthias; Michail, Evripidis; Moos, Michael; Schmiedel, Alexander; Krause, Ana-Maria; Lambert, Christoph; Würthner, Frank; Ravat, Prince","[<i>n</i>]Helicene Diimides (<i>n</i> = 5, 6, and 7): Through-Bond versus Through-Space Conjugation.","Journal of the American Chemical Society","2020","142","51","21298","21303","10.1021/jacs.0c11053","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","260424","2021-01-04","03:11:58",""
"4135404","24.9274","0.0017","10.0744","0.0006","13.9318","0.0008","90","","117.911","0.004","90","","3091.7","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 N2 O6 -","- C40 H34 N2 O6 -","- C160 H136 N8 O24 -","4","0.5","","Saal, Fridolin; Zhang, Fangyuan; Holzapfel, Marco; Stolte, Matthias; Michail, Evripidis; Moos, Michael; Schmiedel, Alexander; Krause, Ana-Maria; Lambert, Christoph; Würthner, Frank; Ravat, Prince","[<i>n</i>]Helicene Diimides (<i>n</i> = 5, 6, and 7): Through-Bond versus Through-Space Conjugation.","Journal of the American Chemical Society","2020","142","51","21298","21303","10.1021/jacs.0c11053","","","1.54178","CuKα","","0.0869","0.0643","","","0.1678","0.1863","","","","","","1.04","","","","has coordinates,has disorder","260424","2021-01-04","03:11:58",""
"4135405","6.2249","0.0002","8.8294","0.0002","9.3691","0.0002","90","","90","","90","","514.95","0.02","403","2","403","2","","","","","","","","6","A m m 2","A 2 -2","38","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","0.25","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0179","0.0168","","","0.0341","0.0346","","","","","","1.002","","","","has coordinates","260427","2021-01-04","03:13:18",""
"4135406","6.1587","0.0001","8.8322","0.0002","9.3515","0.0002","90","","90","","90","","508.674","0.018","363","2","363","2","","","","","","","","6","A m m 2","A 2 -2","38","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","0.25","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0212","0.02","","","0.0389","0.0393","","","","","","1.003","","","","has coordinates","260427","2021-01-04","03:13:18",""
"4135407","8.788","0.0003","5.9866","0.0002","9.2245","0.0003","90","","90.03","0.003","90","","485.3","0.03","93","2","93","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0266","0.0256","","","0.0611","0.0618","","","","","","1","","","","has coordinates","260427","2021-01-04","03:13:18",""
"4135408","8.8349","0.0002","6.0723","0.0001","9.3144","0.0002","90","","90.03","","90","","499.7","0.018","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0371","0.0367","","","0.094","0.0944","","","","","","1.002","","","","has coordinates","260427","2021-01-04","03:13:19",""
"4135409","8.8138","0.0002","6.0127","0.0001","9.259","0.0002","90","","90.03","0.003","90","","490.678","0.017","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0312","0.031","","","0.0749","0.0751","","","","","","1.001","","","","has coordinates","260427","2021-01-04","03:13:19",""
"4135410","6.5123","0.0006","7.987","0.0007","19.602","0.014","90","","91.48","0.017","90","","1019.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 F N O5 Re -","- C7 H11 F N O5 Re -","- C28 H44 F4 N4 O20 Re4 -","4","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0428","0.0397","","","0.1116","0.114","","","","","","1.05","","","","has coordinates","260427","2021-01-04","03:13:19",""
"4135411","9.134","0.0007","14.443","0.001","15.714","0.001","90","","91.365","0.003","90","","2072.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N3 O3 S -","- C22 H25 N3 O3 S -","- C88 H100 N12 O12 S4 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0659","0.0557","","","0.1519","0.1623","","","","","","1.034","","","","has coordinates","260428","2021-01-04","03:13:41",""
"4135412","7.9874","0.0008","16.3053","0.0015","11.7305","0.0011","90","","93.629","0.003","90","","1524.7","0.3","135","2","135","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N3 O2 S -","- C15 H19 N3 O2 S -","- C60 H76 N12 O8 S4 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0385","0.0359","","","0.0949","0.0974","","","","","","1.052","","","","has coordinates","260428","2021-01-04","03:13:42",""
"4135413","9.4287","0.0003","14.026","0.0005","25.9572","0.0009","90","","98.656","0.001","90","","3393.7","0.2","100","2","99.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13.99 H17.25 Cl0.35 F3 N2 O2 S -","- C13.9835 H17.249 Cl0.3505 F3 N2 O2 S -","- C111.868 H137.992 Cl2.804 F24 N16 O16 S8 -","8","2","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0638","0.0553","","","0.1533","0.1622","","","","","","1.045","","","","has coordinates,has disorder","260428","2021-01-04","03:13:42",""
"4135414","11.9671","0.0006","10.6451","0.0006","13.0472","0.0007","90","","95.151","0.002","90","","1655.38","0.15","100","2","100.02","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 F3 N2 -","- C18 H25 F3 N2 -","- C72 H100 F12 N8 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.039","0.0342","","","0.0817","0.0852","","","","","","1.049","","","","has coordinates","260428","2021-01-04","03:13:42",""
"4135415","28.9093","0.0007","6.1109","0.0001","19.8414","0.0004","90","","104.537","0.001","90","","3393","0.12","120","2","120.06","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27.9 H22.9 Cl2.72 F17 N3 O2 S -","- C27.905 H22.905 Cl2.715 F17 N3 O2 S -","- C111.62 H91.62 Cl10.86 F68 N12 O8 S4 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0672","0.049","","","0.1152","0.1277","","","","","","1.034","","","","has coordinates,has disorder","260428","2021-01-04","03:13:42",""
"4135416","15.5602","0.0005","9.1547","0.0003","18.4847","0.0007","90","","110.478","0.002","90","","2466.73","0.15","100","2","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 F3 N3 O4 -","- C24 H28 F3 N3 O4 -","- C96 H112 F12 N12 O16 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0763","0.0525","","","0.1305","0.1466","","","","","","1.029","","","","has coordinates","260428","2021-01-04","03:13:42",""
"4135417","24.7462","0.001","8.7463","0.0004","11.885","0.0005","90","","98.217","0.002","90","","2545.95","0.19","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 F17 N2 -","- C24 H17 F17 N2 -","- C96 H68 F68 N8 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0438","0.0366","","","0.09","0.0959","","","","","","1.044","","","","has coordinates,has disorder","260428","2021-01-04","03:13:42",""
"4135418","9.3765","0.0004","23.4519","0.0009","10.6409","0.0004","90","","90.0379","0.0018","90","","2339.9","0.16","100","2","100.07","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F3 N2 O -","- C12 H13 F3 N2 O -","- C96 H104 F24 N16 O8 -","8","2","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0565","0.048","","","0.1177","0.1272","","","","","","1.069","","","","has coordinates","260428","2021-01-04","03:13:42",""
"4135542","11.506","0.008","12.614","0.006","17.118","0.016","75.681","0.017","71.28","0.03","88.66","0.015","2276","3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H68 N2 O3 Ru -","- C53 H68 N2 O3 Ru -","- C106 H136 N4 O6 Ru2 -","2","1","","Xu, Yan; Wong, Jonathan J.; Samkian, Adrian E.; Ko, Jeong Hoon; Chen, Shuming; Houk, K. N.; Grubbs, Robert H.","Efficient Z-Selective Olefin-Acrylamide Cross-Metathesis Enabled by Sterically Demanding Cyclometalated Ruthenium Catalysts","Journal of the American Chemical Society","2020","142","","20987","20993","10.1021/jacs.0c11334","","","0.71073","MoKα","","0.0475","0.0338","","","0.0722","0.0768","","","","","","1.04","","","","has coordinates","261190","2021-01-25","10:14:17",""