# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-18T16:34:11+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 'Chemical science (Royal Society of Chemistry : 2010)') 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
"1513664","14.6683","0.0014","28.684","0.003","13.8712","0.0013","90","","90.199","0.002","90","","5836.2","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","07286b","","","- C19 H37 F6 Fe N5 O7 S2 -","- C19 H37 F6 Fe N5 O7 S2 -","- C152 H296 F48 Fe8 N40 O56 S16 -","8","2","","England, Jason; Bigelow, Jennifer O; Van Heuvelen, Katherine M; Farquhar, Erik R; Martinho, Marléne; Meier, Katlyn K; Frisch, Jonathan R; Münck, Eckard; Que, Jr, Lawrence","An Ultra-Stable Oxoiron(IV) Complex and Its Blue Conjugate Base.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","3","1204","1215","10.1039/C3SC52755G","","","0.71073","MoKα","","0.0788","0.0478","","","0.0984","0.1078","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513665","12.4264","0.0012","11.0862","0.001","20.4399","0.0019","90","","94.5","0.002","90","","2807.2","0.5","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","07217a","","","- C19 H37 F6 Fe N5 O8 S2 -","- C19 H37 F6 Fe N5 O8 S2 -","- C76 H148 F24 Fe4 N20 O32 S8 -","4","1","","England, Jason; Bigelow, Jennifer O; Van Heuvelen, Katherine M; Farquhar, Erik R; Martinho, Marléne; Meier, Katlyn K; Frisch, Jonathan R; Münck, Eckard; Que, Jr, Lawrence","An Ultra-Stable Oxoiron(IV) Complex and Its Blue Conjugate Base.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","3","1204","1215","10.1039/C3SC52755G","","","0.71073","MoKα","","0.0455","0.0343","","","0.0836","0.0878","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513689","14.2992","0.0006","7.084","0.0003","13.4824","0.0006","90","","108.84","0.002","90","","1292.54","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 S2 -","- C34 H28 S2 -","- C68 H56 S4 -","2","0.5","","Young, Brian S; Chase, Daniel T; Marshall, Jonathan L; Vonnegut, Chris L; Zakharov, Lev N; Haley, Michael M","Synthesis and Properties of Fully-Conjugated Indacenedithiophenes.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","3","1008","1014","10.1039/C3SC53181C","","","1.54178","CuKα","","0.0418","0.0398","","","0.117","0.1194","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513690","14.4327","0.0005","11.8497","0.0004","8.9975","0.0003","90","","94.02","0.001","90","","1534.99","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 S2 -","- C42 H32 S2 -","- C84 H64 S4 -","2","0.5","","Young, Brian S; Chase, Daniel T; Marshall, Jonathan L; Vonnegut, Chris L; Zakharov, Lev N; Haley, Michael M","Synthesis and Properties of Fully-Conjugated Indacenedithiophenes.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","3","1008","1014","10.1039/C3SC53181C","","","0.71073","MoKα","","0.0529","0.0472","","","0.1298","0.135","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513691","13.689","0.002","7.3177","0.0012","17.167","0.003","90","","112.808","0.003","90","","1585.2","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 S2 -","- C42 H32 S2 -","- C84 H64 S4 -","2","0.5","","Young, Brian S; Chase, Daniel T; Marshall, Jonathan L; Vonnegut, Chris L; Zakharov, Lev N; Haley, Michael M","Synthesis and Properties of Fully-Conjugated Indacenedithiophenes.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","3","1008","1014","10.1039/C3SC53181C","","","0.71073","MoKα","","0.073","0.0483","","","0.1135","0.1261","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513692","7.9092","0.0014","8.0857","0.0014","10.8326","0.0019","91.725","0.004","107.227","0.004","105.087","0.004","634.55","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H28 S2 -","- C34 H28 S2 -","- C34 H28 S2 -","1","0.5","","Young, Brian S; Chase, Daniel T; Marshall, Jonathan L; Vonnegut, Chris L; Zakharov, Lev N; Haley, Michael M","Synthesis and Properties of Fully-Conjugated Indacenedithiophenes.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","3","1008","1014","10.1039/C3SC53181C","","","0.71073","MoKα","","0.0549","0.0449","","","0.1126","0.1196","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513709","12.5266","0.0011","15.2138","0.0013","25.537","0.002","90","","92.315","0.002","90","","4862.8","0.7","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","holkc16","","","- C49 H78 Fe K N2 O3 -","- C49 H78 Fe K N2 O3 -","- C196 H312 Fe4 K4 N8 O12 -","4","1","","Chiang, Karen P.; Bellows, Sarina M.; Brennessel, William W.; Holland, Patrick L.","Multimetallic Cooperativity in Activation of Dinitrogen at Iron-Potassium Sites.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","1","267","","10.1039/C3SC52487F","","","0.71073","MoKα","","0.0889","0.0484","","","0.1132","0.1308","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513710","37.332","0.002","9.7164","0.0006","23.2858","0.0013","90","","111.588","0.001","90","","7854","0.8","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","holkc14","","","- C82 H116 Fe2 K2 N4 O2 -","- C82 H116 Fe2 K2 N4 O2 -","- C328 H464 Fe8 K8 N16 O8 -","4","0.5","","Chiang, Karen P.; Bellows, Sarina M.; Brennessel, William W.; Holland, Patrick L.","Multimetallic Cooperativity in Activation of Dinitrogen at Iron-Potassium Sites.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","1","267","","10.1039/C3SC52487F","","","0.71073","MoKα","","0.1183","0.0594","","","0.1234","0.1457","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513711","19.4155","0.0011","26.1583","0.0015","20.9929","0.0012","90","","116.455","0.001","90","","9545.3","0.9","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","holkc20","","","- C105 H142 Fe2 K2 N4 O5 -","- C105 H142 Fe2 K2 N4 O5 -","- C420 H568 Fe8 K8 N16 O20 -","4","1","","Chiang, Karen P.; Bellows, Sarina M.; Brennessel, William W.; Holland, Patrick L.","Multimetallic Cooperativity in Activation of Dinitrogen at Iron-Potassium Sites.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","1","267","","10.1039/C3SC52487F","","","0.71073","MoKα","","0.1092","0.053","","","0.1326","0.17","","","","","","0.912","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513731","17.177","0.003","19.182","0.003","24.723","0.004","90","","90","","90","","8146","2","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C36 H33 B F6 N11 O6.5 Pd S2 -","- C36 H33 B F6 N11 O6.5 Pd S2 -","- C288 H264 B8 F48 N88 O52 Pd8 S16 -","8","1","","Brandt, Jochen R.; Lee, Eunsung; Boursalian, Gregory B.; Ritter, Tobias","Mechanism of Electrophilic Fluorination with Pd(IV): Fluoride Capture and Subsequent Oxidative Fluoride Transfer(.)","Chemical science (Royal Society of Chemistry : 2010)","2014","5","1","169","","10.1039/C3SC52367E","","","0.71073","MoKα","","0.0727","0.0495","","","0.1298","0.1474","","","","","","1.069","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514282","7.554","0.0001","17.939","0.0004","21.6527","0.0006","66.669","0.002","87.131","0.002","86.992","0.002","2689.18","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H27 N O3 Pt -","- C37 H27 N O3 Pt -","- C148 H108 N4 O12 Pt4 -","4","2","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.0819","0.0524","","","0.1165","0.1222","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514283","8.5103","0.0008","30.003","0.002","9.119","0.0008","90","","112.41","0.01","90","","2152.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C32 H21 N O -","- C32 H21 N O -","- C128 H84 N4 O4 -","4","1","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.1255","0.0423","","","0.0599","0.0715","","","","","","0.714","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514284","13.2528","0.0002","14.7365","0.0002","18.3823","0.0003","90","","90","","90","","3590.06","0.09","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H31 Cl4 N O2 Pt S -","- C41 H31 Cl4 N O2 Pt S -","- C164 H124 Cl16 N4 O8 Pt4 S4 -","4","1","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.031","0.027","","","0.0719","0.0729","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514285","7.7976","0.0002","13.3596","0.0004","15.247","0.0004","90","","93.639","0.002","90","","1585.12","0.08","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H30 Cl N O2 Pt S -","- C40 H30 Cl N O2 Pt S -","- C80 H60 Cl2 N2 O4 Pt2 S2 -","2","1","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.0641","0.0418","","","0.079","0.0826","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514286","7.5661","0.0002","12.3042","0.0003","7.9592","0.0003","90","","105.511","0.003","90","","713.97","0.04","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.0398","0.0319","","","0.0677","0.0695","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514287","17.2805","0.0002","17.2812","0.0002","12.5128","0.0002","90","","90","","90","","3736.67","0.09","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H33 Cl5 N2 O2 Pt2 S2 -","- C37 H33 Cl5 N2 O2 Pt2 S2 -","- C148 H132 Cl20 N8 O8 Pt8 S8 -","4","1","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.0509","0.0312","","","0.0397","0.0415","","","","","","0.796","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514288","11.8533","0.0002","9.9205","0.0001","22.5187","0.0004","90","","103.333","0.002","90","","2576.62","0.07","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N2 O4 Pt2 -","- C30 H26 N2 O4 Pt2 -","- C120 H104 N8 O16 Pt8 -","4","0.5","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71069","MoKα","","0.0307","0.0232","","","0.0586","0.0603","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514306","5.3717","0.0003","18.0674","0.0008","29.3071","0.001","90","","90","","90","","2844.3","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Br O4 -","- C15 H15 Br O4 -","- C120 H120 Br8 O32 -","8","2","","Johnston, Ryne C.; Cohen, Daniel T.; Eichman, Chad C.; Scheidt, Karl A.; Cheong, Paul Ha-Yeon","Catalytic Kinetic Resolution of a Dynamic Racemate: Highly Stereoselective β-Lactone Formation by N-Heterocyclic Carbene Catalysis.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1974","1982","10.1039/C4SC00317A","","","1.54178","CuKα","","0.0868","0.056","","","0.136","0.1556","","","","","","0.929","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514307","5.4193","0.0003","9.4004","0.0005","28.084","0.0014","90","","90","","90","","1430.7","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Br O4 -","- C15 H15 Br O4 -","- C60 H60 Br4 O16 -","4","1","","Johnston, Ryne C.; Cohen, Daniel T.; Eichman, Chad C.; Scheidt, Karl A.; Cheong, Paul Ha-Yeon","Catalytic Kinetic Resolution of a Dynamic Racemate: Highly Stereoselective β-Lactone Formation by N-Heterocyclic Carbene Catalysis.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1974","1982","10.1039/C4SC00317A","","","0.71073","MoKα","","0.0509","0.0337","","","0.083","0.0962","","","","","","0.584","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514317","14.942","0.003","17.41","0.003","20.949","0.004","68.999","0.004","69.324","0.004","75.701","0.004","4714.5","1.5","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","ubsc16","","","- C32 H42 N2 O6 S2 -","- C32 H42 N2 O6 S2 -","- C192 H252 N12 O36 S12 -","6","3","","Turnpenny, Benjamin W.; Chemler, Sherry R.","Copper-Catalyzed Alkene Diamination: Synthesis of Chiral 2-Aminomethyl Indolines and Pyrrolidines.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1786","1793","10.1039/C4SC00237G","","","0.71073","MoKα","","0.11","0.0591","","","0.1311","0.1548","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514387","14.2376","0.0005","14.5557","0.0005","16.0245","0.0006","112.035","0.0004","96.1392","0.0004","107.982","0.0004","2832.94","0.18","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C45 H68 Ca Cl2 F3 Fe N4 O15 S4 -","- C45 H68 Ca Cl2 F3 Fe N4 O15 S4 -","- C90 H136 Ca2 Cl4 F6 Fe2 N8 O30 S8 -","2","1","","Park, Young Jun; Cook, Sarah A.; Sickerman, Nathaniel S.; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Heterobimetallic Complexes with M(III)-(μ-OH)-M(II) Cores (M(III) = Fe, Mn, Ga; M(II) = Ca, Sr, and Ba): Structural, Kinetic, and Redox Properties.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","2","717","726","10.1039/C2SC21400H","","","0.71073","MoKα","","0.052","0.0443","","","0.1145","0.1201","","","","","","1.035","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514388","8.7949","0.0003","28.7099","0.0011","22.444","0.0009","90","","98.6131","0.0005","90","","5603.2","0.4","88","2","88","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C45 H68 Cl2 F3 Fe N4 O15 S4 Sr -","- C45 H68 Cl2 F3 Fe N4 O15 S4 Sr -","- C180 H272 Cl8 F12 Fe4 N16 O60 S16 Sr4 -","4","1","","Park, Young Jun; Cook, Sarah A.; Sickerman, Nathaniel S.; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Heterobimetallic Complexes with M(III)-(μ-OH)-M(II) Cores (M(III) = Fe, Mn, Ga; M(II) = Ca, Sr, and Ba): Structural, Kinetic, and Redox Properties.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","2","717","726","10.1039/C2SC21400H","","","0.71073","MoKα","","0.0578","0.0472","","","0.1234","0.13","","","","","","1.035","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514389","12.9433","0.0006","14.8169","0.0007","18.2751","0.0008","110.991","0.0005","91.9057","0.0005","105.868","0.0005","3113.7","0.2","88","2","88","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H78 Ba F3 Fe N4 O17 S4 -","- C50 H78 Ba F3 Fe N4 O17 S4 -","- C100 H156 Ba2 F6 Fe2 N8 O34 S8 -","2","1","","Park, Young Jun; Cook, Sarah A.; Sickerman, Nathaniel S.; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Heterobimetallic Complexes with M(III)-(μ-OH)-M(II) Cores (M(III) = Fe, Mn, Ga; M(II) = Ca, Sr, and Ba): Structural, Kinetic, and Redox Properties.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","2","717","726","10.1039/C2SC21400H","","","0.71073","MoKα","","0.0444","0.037","","","0.0998","0.1053","","","","","","1.031","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514390","13.9061","0.0007","15.1055","0.0008","16.262","0.0009","68.7445","0.0006","75.3429","0.0006","74.3805","0.0006","3019.7","0.3","143","2","143","2","","","","","","","","9","P -1","-P 1","2","","","","- C46 H70 Cl4 F3 Mn N4 O15 S4 Sr -","- C46 H70 Cl4 F3 Mn N4 O15 S4 Sr -","- C92 H140 Cl8 F6 Mn2 N8 O30 S8 Sr2 -","2","1","","Park, Young Jun; Cook, Sarah A.; Sickerman, Nathaniel S.; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Heterobimetallic Complexes with M(III)-(μ-OH)-M(II) Cores (M(III) = Fe, Mn, Ga; M(II) = Ca, Sr, and Ba): Structural, Kinetic, and Redox Properties.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","2","717","726","10.1039/C2SC21400H","","","0.71073","MoKα","","0.0585","0.053","","","0.1392","0.1434","","","","","","1.039","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514391","14.3885","0.0005","14.7196","0.0005","15.8403","0.0006","112.801","0.0004","97.8526","0.0004","106.385","0.0004","2850.07","0.18","198","2","198","2","","","","","","","","9","P -1","-P 1","2","","","","- C45 H68 Ca Cl2 F3 Ga N4 O15 S4 -","- C45 H68 Ca Cl2 F3 Ga N4 O15 S4 -","- C90 H136 Ca2 Cl4 F6 Ga2 N8 O30 S8 -","2","1","","Park, Young Jun; Cook, Sarah A.; Sickerman, Nathaniel S.; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Heterobimetallic Complexes with M(III)-(μ-OH)-M(II) Cores (M(III) = Fe, Mn, Ga; M(II) = Ca, Sr, and Ba): Structural, Kinetic, and Redox Properties.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","2","717","726","10.1039/C2SC21400H","","","0.71073","MoKα","","0.0516","0.0469","","","0.1264","0.1304","","","","","","1.059","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514398","14.2953","0.0005","18.3037","0.0007","20.8565","0.0008","75.534","0.002","71.127","0.002","74.087","0.002","4887.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H81 Cu3 N16 O3 Y -","- C75 H81 Cu3 N16 O3 Y -","- C150 H162 Cu6 N32 O6 Y2 -","2","1","","Lionetti, Davide; Day, Michael W.; Agapie, Theodor","Metal-Templated Ligand Architectures for Trinuclear Chemistry: Tricopper Complexes and Their O2 Reactivity.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","2","785","790","10.1039/C2SC21758A","","","0.71073","MoKα","","0.1002","0.07","","","0.0973","0.0983","","","","","","3.264","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514429","11.8419","0.0003","6.5568","0.0001","20.7441","0.0004","90","","102.819","0.001","90","","1570.53","0.06","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H10 Br N O4 -","- C14 H10 Br N O4 -","- C56 H40 Br4 N4 O16 -","4","2","","Lathrop, Stephen P.; Rovis, Tomislav","A photoisomerization-coupled asymmetric Stetter reaction: application to the total synthesis of three diastereomers of (-)-cephalimysin A.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","4","1668","","10.1039/C3SC22292F","","","0.71073","MoKα","","0.075","0.0497","","","0.1177","0.1254","","","","","","0.972","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514503","9.2584","0.0006","9.2584","0.0006","14.1473","0.0017","90","","90","","90","","1212.68","0.18","298","2","298","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- C15 Cl2 N5 Ni O8 -","- C15 Cl2 N5 Ni O8 -","- C30 Cl4 N10 Ni2 O16 -","2","0.125","","Cho, Jaeheung; Kang, Hye Yeon; Liu, Lei V.; Sarangi, Ritimukta; Solomon, Edward I.; Nam, Wonwoo","Mononuclear nickel(II)-superoxo and nickel(III)-peroxo complexes bearing a common macrocyclic TMC ligand.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","4","1502","1508","10.1039/C3SC22173C","","","0.71073","MoKα","","0.0815","0.0612","","","0.1594","0.1651","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514504","7.7299","0.0002","7.7263","0.0002","17.8514","0.0005","90","","100.673","0.002","90","","1047.7","0.05","170","2","170","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C15 H33 Cl N5 Ni O6 -","- C15 H33 Cl N5 Ni O6 -","- C30 H66 Cl2 N10 Ni2 O12 -","2","1","","Cho, Jaeheung; Kang, Hye Yeon; Liu, Lei V.; Sarangi, Ritimukta; Solomon, Edward I.; Nam, Wonwoo","Mononuclear nickel(II)-superoxo and nickel(III)-peroxo complexes bearing a common macrocyclic TMC ligand.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","4","1502","1508","10.1039/C3SC22173C","","","0.71073","MoKα","","0.0445","0.036","","","0.0762","0.0801","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514510","16.5029","0.0002","7.0004","0.0001","17.5337","0.0002","90","","103.817","0.001","90","","1967","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N O6 -","- C23 H21 N O6 -","- C92 H84 N4 O24 -","4","2","","Corbett, Michael T.; Johnson, Jeffrey S.","Enantioselective synthesis of hindered cyclic dialkyl ethers via catalytic oxa-Michael/Michael desymmetrization.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2828","2832","10.1039/C3SC51022K","","","1.54178","CuKα","","0.0304","0.0294","","","0.0744","0.0754","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514512","6.4731","0.0003","9.867","0.0004","41.104","0.0018","90","","90","","90","","2625.3","0.2","173.2","","173.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Br2 N O4 -","- C27 H29 Br2 N O4 -","- C108 H116 Br8 N4 O16 -","4","1","","Wang, Hengbin; Guptill, David M.; Alvarez, Adrian Varela; Musaev, Djamaladdin G.; Davies, Huw M. L.","Rhodium-catalyzed enantioselective cyclopropanation of electron deficient alkenes.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2844","2850","10.1039/C3SC50425E","","","0.71073","MoKα","","0.0782","0.0687","","","0.1594","0.1629","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514513","6.0402","0.0002","15.4144","0.0004","20.729","0.0008","90","","90","","90","","1930","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br O4 -","- C21 H21 Br O4 -","- C84 H84 Br4 O16 -","4","1","","Wang, Hengbin; Guptill, David M.; Alvarez, Adrian Varela; Musaev, Djamaladdin G.; Davies, Huw M. L.","Rhodium-catalyzed enantioselective cyclopropanation of electron deficient alkenes.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2844","2850","10.1039/C3SC50425E","","","0.71073","MoKα","","0.0604","0.0382","","","0.0837","0.0916","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514514","12.7242","0.0005","20.3878","0.0008","23.2389","0.0009","90","","97.497","0.001","90","","5977.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Rh(I)Rh(III)tfepma2Cl4(CNAd)2","","","- C40 H52 Cl4 F24 N3 O8 P4 Rh2 -","- C40 H52 Cl4 F24 N4 O8 P4 Rh2 -","- C160 H208 Cl16 F96 N16 O32 P16 Rh8 -","4","1","","Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G.","Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2880","","10.1039/C3SC50462J","","","0.71073","MoKα","","0.0747","0.0479","","","0.1065","0.1231","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514515","10.1595","0.0009","10.386","0.001","12.0283","0.0011","73.962","0.002","69.049","0.001","71.477","0.002","1104.74","0.18","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C25 H26 Cl2 F25 N3 O8 P4 Rh2 -","- C25 H26 Cl2 F25 N3 O8 P4 Rh2 -","- C25 H26 Cl2 F25 N3 O8 P4 Rh2 -","1","1","","Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G.","Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2880","","10.1039/C3SC50462J","","","0.71073","MoKα","","0.0439","0.0367","","","0.0806","0.0849","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514516","12.0403","0.0008","19.3984","0.0013","20.6248","0.0014","90","","106.961","0.001","90","","4607.7","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 Cl2 F24 N3 O9 P4 Rh2 -","- C26 H29 Cl2 F24 N3 O9 P4 Rh2 -","- C104 H116 Cl8 F96 N12 O36 P16 Rh8 -","4","1","","Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G.","Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2880","","10.1039/C3SC50462J","","","0.71073","MoKα","","0.0674","0.0403","","","0.086","0.1006","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514517","12.2025","0.0013","21.385","0.002","20.398","0.002","90","","98.351","0.002","90","","5266.4","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl4 F25 N3 O8 P4 Rh2 -","- C25 H26 Cl4 F25 N3 O8 P4 Rh2 -","- C100 H104 Cl16 F100 N12 O32 P16 Rh8 -","4","1","","Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G.","Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2880","","10.1039/C3SC50462J","","","0.71073","MoKα","","0.0915","0.0745","","","0.1924","0.2042","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514518","10.7825","0.0005","15.2029","0.0008","18.7253","0.0009","87.983","0.001","80.065","0.001","73.223","0.001","2894.5","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H37 Cl4 F24 N3 O9 P4 Rh2 -","- C33 H37 Cl4 F24 N3 O9 P4 Rh2 -","- C66 H74 Cl8 F48 N6 O18 P8 Rh4 -","2","1","","Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G.","Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2880","","10.1039/C3SC50462J","","","0.71073","MoKα","","0.0656","0.0542","","","0.1486","0.1598","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514545","19.5671","0.0008","12.5184","0.0005","27.8828","0.0011","90","","106.461","0.002","90","","6549.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70.65 H64.63 Mn4 N7 O14.09 -","- C70.652 H64.63 Mn4 N7 O14.091 -","- C282.608 H258.52 Mn16 N28 O56.364 -","4","1","","Kanady, Jacob S.; Tran, Rosalie; Stull, Jamie A.; Lu, Luo; Stich, Troy A.; Day, Michael W.; Yano, Junko; Britt, R. David; Agapie, Theodor","Role of Oxido Incorporation and Ligand Lability in Expanding Redox Accessibility of Structurally Related Mn4 Clusters.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","10","3986","3996","10.1039/C3SC51406D","","","0.71073","MoKα","","0.097","0.0643","","","0.1784","0.1919","","","","","","1.086","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514546","12.305","0.0006","15.5248","0.0007","37.6815","0.0018","90","","98.567","0.003","90","","7118.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65.42 H49.25 F4.75 Mn4 N6 O15.58 S1.58 -","- C65.418 H49.254 F4.746 Mn4 N6 O15.582 S1.582 -","- C261.672 H197.016 F18.984 Mn16 N24 O62.328 S6.328 -","4","1","","Kanady, Jacob S.; Tran, Rosalie; Stull, Jamie A.; Lu, Luo; Stich, Troy A.; Day, Michael W.; Yano, Junko; Britt, R. David; Agapie, Theodor","Role of Oxido Incorporation and Ligand Lability in Expanding Redox Accessibility of Structurally Related Mn4 Clusters.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","10","3986","3996","10.1039/C3SC51406D","","","0.71073","MoKα","","0.0949","0.0848","","","0.2042","0.2089","","","","","","1.136","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514547","12.6007","0.0005","13.0991","0.0005","20.5699","0.0008","99.263","0.002","95.161","0.002","94.247","0.002","3323.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H69 Mn4 N9 O14 -","- C72 H69 Mn4 N9 O14 -","- C144 H138 Mn8 N18 O28 -","2","1","","Kanady, Jacob S.; Tran, Rosalie; Stull, Jamie A.; Lu, Luo; Stich, Troy A.; Day, Michael W.; Yano, Junko; Britt, R. David; Agapie, Theodor","Role of Oxido Incorporation and Ligand Lability in Expanding Redox Accessibility of Structurally Related Mn4 Clusters.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","10","3986","3996","10.1039/C3SC51406D","","","0.71073","MoKα","","0.1066","0.0536","","","0.0634","0.0661","","","","","","1.542","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514548","15.41","0.003","24.64","0.005","19.23","0.004","90","","103.16","0.03","90","","7110","3","293","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H61 F3 Mn4 N10 O14 S -","- C78 H61 F3 Mn4 N10 O14 S -","- C312 H244 F12 Mn16 N40 O56 S4 -","4","1","","Kanady, Jacob S.; Tran, Rosalie; Stull, Jamie A.; Lu, Luo; Stich, Troy A.; Day, Michael W.; Yano, Junko; Britt, R. David; Agapie, Theodor","Role of Oxido Incorporation and Ligand Lability in Expanding Redox Accessibility of Structurally Related Mn4 Clusters.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","10","3986","3996","10.1039/C3SC51406D","","","0.7293","synchrotron","","0.0685","0.0572","","","0.1694","0.1739","","","","","","1.64","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514591","10.1656","0.0013","13.4105","0.0018","15.503","0.002","97.346","0.003","101.171","0.003","101.772","0.003","1998.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H59 Cl N P Pd -","- C45 H59 Cl N P Pd -","- C90 H118 Cl2 N2 P2 Pd2 -","2","1","","Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L.","Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","3","916","920","10.1039/C2SC20903A","","","0.71073","MoKα","","0.0217","0.0201","","","0.0533","0.0544","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514592","14.55","0.0018","13.7601","0.0017","23.806","0.003","90","","94.469","0.003","90","","4751.7","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57.5 H45 Cl4 N P2 Pd -","- C57.4998 H44.9996 Cl3.9996 N P2 Pd -","- C229.999 H179.998 Cl15.9984 N4 P8 Pd4 -","4","1","","Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L.","Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","3","916","920","10.1039/C2SC20903A","","","0.71073","MoKα","","0.0382","0.0307","","","0.0798","0.0856","","","","","","1.055","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514593","12.3071","0.001","13.5653","0.0011","14.7831","0.0012","102.455","0.001","94.481","0.001","98.654","0.001","2366.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H72 N O4 P Pd S -","- C50 H72 N O4 P Pd S -","- C100 H144 N2 O8 P2 Pd2 S2 -","2","1","","Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L.","Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","3","916","920","10.1039/C2SC20903A","","","0.71073","MoKα","","0.037","0.0313","","","0.0757","0.0795","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514594","10.8288","0.0009","13.3096","0.0011","17.347","0.0015","110.42","0.002","93.341","0.002","103.421","0.002","2252.3","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H62 Cl4 N O3 P Pd S -","- C44 H62 Cl4 N O3 P Pd S -","- C88 H124 Cl8 N2 O6 P2 Pd2 S2 -","2","1","","Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L.","Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","3","916","920","10.1039/C2SC20903A","","","0.71073","MoKα","","0.0253","0.0236","","","0.0603","0.0612","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514595","15.5569","0.0006","17.0797","0.0007","16.7243","0.0006","90","","94.222","0.001","90","","4431.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H66 N O5 P Pd S -","- C48 H66 N O5 P Pd S -","- C192 H264 N4 O20 P4 Pd4 S4 -","4","1","","Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L.","Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","3","916","920","10.1039/C2SC20903A","","","0.71073","MoKα","","0.0323","0.0248","","","0.0595","0.0637","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514596","13.9763","0.0014","20.426","0.002","21.29","0.002","75.424","0.002","85.472","0.002","76.307","0.002","5713.9","1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C60.5 H52 Cl7 N O3 P2 Pd S -","- C60.4998 H51.9996 Cl6.9996 N O3 P2 Pd S -","- C241.999 H207.998 Cl27.9984 N4 O12 P8 Pd4 S4 -","4","2","","Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L.","Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","3","916","920","10.1039/C2SC20903A","","","0.71073","MoKα","","0.0536","0.0407","","","0.1032","0.1108","","","","","","1.087","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514649","5.0348","0.0004","14.3242","0.0009","15.1715","0.001","115.546","0.005","90.919","0.006","98.363","0.006","972.89","0.13","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H28 O6 -","- C22 H28 O6 -","- C44 H56 O12 -","2","1","","Riener, Michelle; Nicewicz, David A.","Synthesis of cyclobutane lignans via an organic single electron oxidant-electron relay system.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","6","2625","","10.1039/C3SC50643F","","","1.54178","CuKα","","0.1219","0.0622","","","0.1319","0.1578","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514683","11.5246","0.0006","12.6819","0.0007","17.2832","0.0009","68.867","0.002","84.99","0.003","77.05","0.003","2296.1","0.2","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C44 H28 Cl3 F20 N O4 P Rh -","- C44 H30 Cl3 F20 N O4 P Rh -","- C88 H60 Cl6 F40 N2 O8 P2 Rh2 -","2","1","","Dalton, Derek M.; Rappé, Anthony K; Rovis, Tomislav","Perfluorinated Taddol Phosphoramidite as an L,Z-Ligand on Rh(I) and Co(-I): Evidence for Bidentate Coordination via Metal-C6F5 Interaction.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","5","2062","2070","10.1039/C3SC50271F","","","0.71073","MoKα","","0.0742","0.0495","","","0.1323","0.1536","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514684","10.4903","0.001","14.3946","0.0014","15.5781","0.0015","78.012","0.003","84.045","0.003","72.01","0.004","2186.6","0.4","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C44 H28 Cl F23 N O7 P Rh S -","- C44.054 H28.108 F23 N1.027 O7 P Rh S -","- C88.108 H56.216 F46 N2.054 O14 P2 Rh2 S2 -","2","1","","Dalton, Derek M.; Rappé, Anthony K; Rovis, Tomislav","Perfluorinated Taddol Phosphoramidite as an L,Z-Ligand on Rh(I) and Co(-I): Evidence for Bidentate Coordination via Metal-C6F5 Interaction.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","5","2062","2070","10.1039/C3SC50271F","","","0.71073","MoKα","","0.0623","0.043","","","0.1191","0.1524","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514685","11.7155","0.0004","12.1131","0.0004","18.2303","0.0006","70.901","0.002","89.025","0.002","83.198","0.002","2426.82","0.14","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H33 F20 N O7 P Rh S -","- C50 H35 F20 N O7 P Rh S -","- C100 H70 F40 N2 O14 P2 Rh2 S2 -","2","1","","Dalton, Derek M.; Rappé, Anthony K; Rovis, Tomislav","Perfluorinated Taddol Phosphoramidite as an L,Z-Ligand on Rh(I) and Co(-I): Evidence for Bidentate Coordination via Metal-C6F5 Interaction.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","5","2062","2070","10.1039/C3SC50271F","","","0.71073","MoKα","","0.0782","0.0457","","","0.1109","0.1451","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514686","13.4123","0.0005","14.8876","0.0006","16.7728","0.0007","94.268","0.002","90.34","0.002","97.344","0.002","3312.1","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H52 Co F20 N2 O7 P -","- C54 H52 Co F20 N2 O7 P -","- C108 H104 Co2 F40 N4 O14 P2 -","2","1","","Dalton, Derek M.; Rappé, Anthony K; Rovis, Tomislav","Perfluorinated Taddol Phosphoramidite as an L,Z-Ligand on Rh(I) and Co(-I): Evidence for Bidentate Coordination via Metal-C6F5 Interaction.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","5","2062","2070","10.1039/C3SC50271F","","","0.71073","MoKα","","0.1172","0.0571","","","0.1458","0.1645","","","","","","0.934","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514761","10.2738","0.0001","11.207","0.0001","19.0373","0.0002","90","","90","","90","","2191.93","0.04","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","1","","Farmer, Rebecca L.; Scheidt, Karl A.","A Concise Enantioselective Synthesis and Cytotoxic Evaluation of the Anticancer Rotenoid Deguelin Enabled by a Tandem Knoevenagel/Conjugate Addition/Decarboxylation Sequence.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","8","3304","3309","10.1039/C3SC50424G","","","0.71073","MoKα","","0.0441","0.0357","","","0.0964","0.1013","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514776","9.7839","0.0004","16.5231","0.0008","24.2524","0.0012","90","","90","","90","","3920.7","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 Cl2 N4 O7 S Si -","- C38 H42 Cl2 N4 O7 S Si -","- C152 H168 Cl8 N16 O28 S4 Si4 -","4","1","","Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad","Concise Total Synthesis of (+)-Bionectins A and C.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","8","3191","3197","10.1039/C3SC51150B","","","0.71073","MoKα","","0.0544","0.0485","","","0.1186","0.1218","","","","","","1.1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514777","13.7346","0.001","16.0038","0.0011","17.3585","0.0013","100.01","0.001","92.214","0.001","108.59","0.001","3543.2","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C32.33 H36.66 Cl0.66 N4 O10 S Si -","- C32.3305 H36.661 Cl0.661 N4 O10 S Si -","- C129.322 H146.644 Cl2.644 N16 O40 S4 Si4 -","4","4","","Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad","Concise Total Synthesis of (+)-Bionectins A and C.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","8","3191","3197","10.1039/C3SC51150B","","","0.71073","MoKα","","0.094","0.0751","","","0.2013","0.2202","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514778","12.8803","0.0007","10.3954","0.0006","16.5478","0.0009","90","","90.063","0.001","90","","2215.7","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H50 N4 O14 S -","- C45 H50 N4 O14 S -","- C90 H100 N8 O28 S2 -","2","1","","Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad","Concise Total Synthesis of (+)-Bionectins A and C.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","8","3191","3197","10.1039/C3SC51150B","","","0.71073","MoKα","","0.0311","0.0301","","","0.0833","0.0843","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514779","11.6928","0.0007","11.2669","0.0006","20.6483","0.0011","90","","96.676","0.001","90","","2701.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H21 N5 O6 S2 -","- C29 H21 N5 O6 S2 -","- C116 H84 N20 O24 S8 -","4","2","","Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad","Concise Total Synthesis of (+)-Bionectins A and C.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","8","3191","3197","10.1039/C3SC51150B","","","0.71073","MoKα","","0.0512","0.0465","","","0.1452","0.1496","","","","","","1.231","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514829","12.9063","0.0002","14.0711","0.0002","20.7385","0.0004","101.178","0.001","99.806","0.001","113.143","0.001","3268.15","0.1","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C63 H65 Au2 Cl2 F6 N O10 P2 S2 -","- C63 H65 Au2 Cl2 F6 N O10 P2 S2 -","- C126 H130 Au4 Cl4 F12 N2 O20 P4 S4 -","2","1","","Weber, Dieter; Gagné, Michel R","σ-π-Diauration as an alternative binding mode for digold intermediates in gold(i) catalysis.","Chemical science (Royal Society of Chemistry : 2010)","2013","47","1","335","338","10.1039/C2SC21281A","","","1.54184","CuKα","","0.0302","0.0276","","","0.0706","0.072","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514847","26.759","0.005","8.5937","0.0014","24.464","0.004","90","","92.096","0.002","90","","5621.9","1.7","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H33 N3 O7 S -","- C31 H33 N3 O7 S -","- C248 H264 N24 O56 S8 -","8","1","","Moore, Jared T.; Soldi, Cristian; Fettinger, James C.; Shaw, Jared T.","Catalytic Alkene Cyclization Reactions for the Stereoselective Synthesis of Complex ""Terpenoid-like"" Heterocycles.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","1","292","296","10.1039/C2SC21405A","","","0.71073","MoKα","","0.0328","0.03","","","0.0815","0.0832","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514848","7.9323","0.0006","12.8416","0.001","28.201","0.002","96.6629","0.0013","90.955","0.0013","94.4154","0.0013","2843.8","0.4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N3 O8 S -","- C31 H27 N3 O8 S -","- C124 H108 N12 O32 S4 -","4","2","","Moore, Jared T.; Soldi, Cristian; Fettinger, James C.; Shaw, Jared T.","Catalytic Alkene Cyclization Reactions for the Stereoselective Synthesis of Complex ""Terpenoid-like"" Heterocycles.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","1","292","296","10.1039/C2SC21405A","","","0.71073","MoKα","","0.0519","0.0393","","","0.0919","0.0969","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514854","11.751","0.0009","7.5332","0.0006","19.9382","0.0015","90","","95.651","0.001","90","","1756.4","0.2","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O -","- C25 H20 O -","- C100 H80 O4 -","4","1","","Truong, Thanh; Daugulis, Olafs","Divergent Reaction Pathways for Phenol Arylation by Arynes: Synthesis of Helicenes and 2-Arylphenols.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","1","531","535","10.1039/c2sc21288a","","","0.71073","MoKα","","0.0525","0.0299","","","0.0772","0.0916","","","","","","0.973","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515137","12.0562","0.0002","13.9646","0.0003","18.9224","0.0013","90","","90","","90","","3185.8","0.2","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H57 O4 Si2 -","- C29 H57 O4 Si2 -","- C116 H228 O16 Si8 -","4","1","","Shareef, Abdur-Rafay; Sherman, David H.; Montgomery, John","Nickel-Catalyzed Regiodivergent Approach to Macrolide Motifs.","Chemical science (Royal Society of Chemistry : 2010)","2012","3","3","892","895","10.1039/C2SC00866A","","","1.54178","CuKα","","0.0581","0.0562","","","0.1452","0.1471","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515171","8.5206","0.0013","13.968","0.002","18.439","0.003","90","","90","","90","","2194.5","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N4 O2 S2 -","- C24 H24 N4 O2 S2 -","- C96 H96 N16 O8 S8 -","4","1","","Boyer, Nicolas; Movassaghi, Mohammad","Concise Total Synthesis of (+)-Gliocladins B and C.","Chemical science (Royal Society of Chemistry : 2010)","2012","3","6","1798","1803","10.1039/C2SC20270K","","","0.71073","MoKα","","0.0356","0.032","","","0.077","0.0791","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515202","19.234","0.005","14.717","0.003","16.801","0.004","90","","107.866","0.003","90","","4526.5","1.8","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","10017a","","","- C45 H45 Cl5 Fe N3 O4 P -","- C45 H45 Cl5 Fe N3 O4 P -","- C180 H180 Cl20 Fe4 N12 O16 P4 -","4","1","","McDonald, Aidan R.; Guo, Yisong; Vu, Van V.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence","A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J'","Chemical science (Royal Society of Chemistry : 2010)","2012","3","5","1680","1693","10.1039/C2SC01044E","","","0.71073","MoKα","","0.1109","0.0667","","","0.1669","0.1973","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515203","18.81","0.003","8.8413","0.0012","23.661","0.003","90","","109.478","0.002","90","","3709.7","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","08126","","","- C30 H26 Fe2 N6 O9 -","- C30 H26 Fe2 N6 O9 -","- C120 H104 Fe8 N24 O36 -","4","0.5","","McDonald, Aidan R.; Guo, Yisong; Vu, Van V.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence","A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J'","Chemical science (Royal Society of Chemistry : 2010)","2012","3","5","1680","1693","10.1039/C2SC01044E","","","0.71073","MoKα","","0.0484","0.0347","","","0.0799","0.0835","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515204","24.8834","0.0018","8.8381","0.0005","24.4677","0.0012","90","","120.136","0.003","90","","4653.7","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H58 Fe2 N6 O13 -","- C42 H58 Fe2 N6 O13 -","- C168 H232 Fe8 N24 O52 -","4","0.5","","McDonald, Aidan R.; Guo, Yisong; Vu, Van V.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence","A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J'","Chemical science (Royal Society of Chemistry : 2010)","2012","3","5","1680","1693","10.1039/C2SC01044E","","","0.71073","MoKα","","0.0801","0.0537","","","0.1343","0.1529","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515224","9.957","0.002","21.918","0.005","15.524","0.003","90","","104.837","0.003","90","","3275","1.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H75 N3 O17 Rh2 -","- C68 H75 N3 O17 Rh2 -","- C136 H150 N6 O34 Rh4 -","2","1","","Boruta, David T.; Dmitrenko, Olga; Yap, Glenn P. A.; Fox, Joseph M.","Rh(2)(S-PTTL)(3)TPA-A Mixed Ligand Dirhodium(II) Catalyst for Enantioselective Reactions of α-Alkyl-α-Diazoesters.","Chemical science (Royal Society of Chemistry : 2010)","2012","3","5","1589","1593","10.1039/C2SC01134D","","","0.71073","MoKα","","0.0933","0.0589","","","0.0987","0.1095","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515269","9.3108","0.001","16.3917","0.0017","10.7713","0.0011","90","","103.594","0.002","90","","1597.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","IPrAuF*2CH2Cl2","","","- C29 H40 Au Cl4 F N2 -","- C29 H40 Au Cl4 F N2 -","- C58 H80 Au2 Cl8 F2 N4 -","2","0.5","","Mankad, Neal P.; Toste, F. Dean","C(sp(3))-F reductive elimination from alkylgold(iii) fluoride complexes.","Chemical science (Royal Society of Chemistry : 2010)","2012","3","1","72","76","10.1039/C1SC00515D","","","0.71073","MoKα","","0.0309","0.0282","","","0.0674","0.0693","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515403","13.5061","0.0005","13.6726","0.0005","15.5153","0.0005","112.007","0.002","103.362","0.002","102.907","0.002","2427.06","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52.69 H51.38 Cl1.38 N8 O8 -","- C52.69 H50 Cl1.36 N8 O8 -","- C105.38 H100 Cl2.72 N16 O16 -","2","1","","Gavette, Jesse V.; Evoniuk, Christopher J.; Zakharov, Lev N.; Carnes, Matthew E.; Haley, Michael M.; Johnson, Darren W.","Exploring Anion-Induced Conformational Flexibility and Molecular Switching in a Series of Heteroaryl-Urea Receptors.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","7","2899","2905","10.1039/C4SC00950A","","","1.54178","CuKα","","0.0751","0.0589","","","0.1677","0.1833","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515404","12.6483","0.0016","6.9763","0.0009","25.125","0.003","90","","101.115","0.002","90","","2175.4","0.5","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N4 O4 -","- C24 H24 N4 O4 -","- C96 H96 N16 O16 -","4","1","","Gavette, Jesse V.; Evoniuk, Christopher J.; Zakharov, Lev N.; Carnes, Matthew E.; Haley, Michael M.; Johnson, Darren W.","Exploring Anion-Induced Conformational Flexibility and Molecular Switching in a Series of Heteroaryl-Urea Receptors.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","7","2899","2905","10.1039/C4SC00950A","","","0.71073","MoKα","","0.0635","0.0487","","","0.1339","0.1503","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515413","19.546","0.004","17.36","0.004","19.889","0.004","90","","105.63","0.03","90","","6499","3","200","1","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C47 H59 Cl3 N4 O8 Si -","- C47 H59 Cl3 N4 O8 Si -","- C188 H236 Cl12 N16 O32 Si4 -","4","1","","Knowles, Robert R.; Carpenter, Joseph; Blakey, Simon B.; Kayano, Akio; Mangion, Ian K.; Sinz, Christopher J.; Macmillan, David W. C.","Total synthesis of diazonamide A.","Chemical science (Royal Society of Chemistry : 2010)","2011","2011","2","308","311","10.1039/C0SC00577K","","","0.71073","MoKα","","0.1515","0.1136","","","0.2908","0.3174","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515477","11.8193","0.0005","11.4475","0.0005","19.9444","0.0008","90","","97.77","0.003","90","","2673.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MJC-4-153-M","toste38","","- C30 H25 Cl N2 O4 S -","- C30 H25 Cl N2 O4 S -","- C120 H100 Cl4 N8 O16 S4 -","4","1","","Campbell, Matthew J.; Toste, F. Dean","Enantioselective synthesis of cyclic carbamimidates via a three-component reaction of imines, terminal alkynes, and p-toluenesulfonylisocyanate using a monophosphine gold(I) catalyst().","Chemical science (Royal Society of Chemistry : 2010)","2011","2","7","1369","1378","10.1039/C1SC00160D","","","1.54178","CuKα","","0.0599","0.0467","","","0.1008","0.1061","","","","","","1.096","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"1515493","6.6796","0.0004","9.2556","0.0006","31.8029","0.0019","90","","90","","90","","1966.2","0.2","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Br N O6 -","- C19 H24 Br N O6 -","- C76 H96 Br4 N4 O24 -","4","1","","Bartelson, Keith J.; Singh, Ravi P.; Foxman, Bruce M.; Deng, Li","Catalytic Asymmetric [4 + 2] Additions with Aliphatic Nitroalkenes.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","10","1940","1944","10.1039/c1sc00326g","","","0.71073","MoKα","","0.0884","0.0826","","0.2147","0.2123","0.2147","","","","","","1.0277","","","","has coordinates","288252","2023-12-12","14:26:14",""
"1515535","12.7496","0.001","10.619","0.0012","22.4445","0.0018","90","","90","","90","","3038.7","0.5","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C136 H176 O24 -","8","1","","Parr, Brendan T.; Li, Zhanjie; Davies, Huw M. L.","Asymmetric Synthesis of Highly Functionalized Cyclopentanes by a Rhodium- and Scandium-Catalyzed Five-Step Domino Sequence.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","12","2378","2382","10.1039/C1SC00434D","","","1.54178","CuKα","","0.1217","0.0761","","","0.1951","0.2347","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515536","5.8343","0.0003","7.4644","0.0004","37.7001","0.0018","90","","90","","90","","1641.82","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Br O3 -","- C17 H21 Br O3 -","- C68 H84 Br4 O12 -","4","1","","Parr, Brendan T.; Li, Zhanjie; Davies, Huw M. L.","Asymmetric Synthesis of Highly Functionalized Cyclopentanes by a Rhodium- and Scandium-Catalyzed Five-Step Domino Sequence.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","12","2378","2382","10.1039/C1SC00434D","","","1.54178","CuKα","","0.0245","0.0243","","","0.0653","0.0654","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515537","12.1533","0.0003","35.1495","0.0007","12.2922","0.0003","90","","110.684","0.001","90","","4912.5","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C216 H288 O48 -","12","3","","Parr, Brendan T.; Li, Zhanjie; Davies, Huw M. L.","Asymmetric Synthesis of Highly Functionalized Cyclopentanes by a Rhodium- and Scandium-Catalyzed Five-Step Domino Sequence.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","12","2378","2382","10.1039/C1SC00434D","","","1.54178","CuKα","","0.0976","0.0801","","","0.2275","0.2637","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515551","15.503","0.003","13.996","0.003","10.645","0.002","90","","109.377","0.003","90","","2178.9","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 Cu F6 N P S3 -","- C16 H27 Cu F6 N P S3 -","- C64 H108 Cu4 F24 N4 P4 S12 -","4","1","","Chaudhry, Aneese F.; Mandal, Subrata; Hardcastle, Kenneth I.; Fahrni, Christoph J.","High-contrast Cu(I)-selective fluorescent probes based on synergistic electronic and conformational switching.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","6","1016","1024","10.1039/C1SC00024A","","","0.71073","MoKα","","0.1615","0.0795","","","0.2037","0.2765","","","","","","1.803","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515576","18.0449","0.0004","16.5511","0.0004","5.3798","0.0001","90","","90","","90","","1606.75","0.06","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C84 H88 O8 -","4","1","","Du, Juana; Espelt, Laura Ruiz; Guzei, Ilia A.; Yoon, Tehshik P.","Photocatalytic Reductive Cyclizations of Enones: Divergent Reactivity of Photogenerated Radical and Radical Anion Intermediates.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","11","2115","2119","10.1039/C1SC00357G","","","1.54178","CuKα","","0.0292","0.0285","","","0.0786","0.0797","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515577","9.548","0.004","5.573","0.002","13.512","0.005","90","","102.084","0.006","90","","703.1","0.5","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H18 F3 N O4 -","- C13 H18 F3 N O4 -","- C26 H36 F6 N2 O8 -","2","1","","Royzen, Maksim; Taylor, Michael T.; Deangelis, Andrew; Fox, Joseph M.","Total Synthesis of Hyacinthacine A2: Stereocontrolled 5-aza-cyclooctene Photoisomerization and Transannular Hydroamination with Planar-to-Point Chirality Transfer.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","11","2162","2165","10.1039/C1SC00442E","","","0.71073","MoKα","","0.0409","0.0376","","","0.099","0.1025","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515607","9.7467","0.0002","14.1261","0.0003","20.0486","0.0004","90","","95.845","0.001","90","","2746","0.1","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H38 O4 Si -","- C30 H38 O4 Si -","- C120 H152 O16 Si4 -","4","2","","Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.","Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","8","1568","","10.1039/C1SC00221J","","","1.54187","CuKα","","0.0863","0.0779","","","0.2133","0.2246","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515608","7.2838","0.0007","9.555","0.0009","19.3652","0.0019","90","","90","","90","","1347.8","0.2","223.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.","Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","8","1568","","10.1039/C1SC00221J","","","0.71075","MoKα","","","0.0606","","","","0.1412","","","","","","1.076","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515609","12.956","0.002","8.4492","0.0015","11.2977","0.002","90","","90.405","0.004","90","","1236.7","0.4","223.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.","Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","8","1568","","10.1039/C1SC00221J","","","0.71075","MoKα","","","0.0665","","","","0.1613","","","","","","1.066","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515610","6.16325","0.00011","11.2731","0.0002","18.7642","0.0013","90","","90","","90","","1303.72","0.1","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.","Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","8","1568","","10.1039/C1SC00221J","","","1.54187","CuKα","","","0.0336","","","","0.0832","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515611","6.14187","0.00012","11.3932","0.0002","18.2633","0.0004","90","","90","","90","","1277.98","0.04","93.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.","Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","8","1568","","10.1039/C1SC00221J","","","1.54187","CuKα","","","0.0378","","","","0.0987","","","","","","1.086","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515646","8.3338","0.0007","25.68","0.002","15.2004","0.0012","90","","90","","90","","3253.1","0.5","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C33.25 H37.25 Cl1.5 N2 O4 Si -","- C33 H37 Cl N2 O4 Si -","- C132 H148 Cl4 N8 O16 Si4 -","4","1","","Kummer, David A.; Li, Derun; Dion, Amelie; Myers, Andrew G.","A practical, convergent route to the key precursor to the tetracycline antibiotics.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","9","1710","1718","10.1039/C1SC00303H","","","0.71073","MoKα","","0.0927","0.0605","","","0.148","0.1668","","","","","","1.063","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515647","8.4645","0.0018","9.265","0.002","13.88","0.003","101.3","0.015","98.534","0.014","106.22","0.014","1000.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C40 H36 N4 O8 -","2","1","","Kummer, David A.; Li, Derun; Dion, Amelie; Myers, Andrew G.","A practical, convergent route to the key precursor to the tetracycline antibiotics.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","9","1710","1718","10.1039/C1SC00303H","","","0.71073","MoKα","","0.1916","0.0895","","","0.1646","0.1873","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515648","6.4713","0.0002","12.2439","0.0003","21.5133","0.0006","90","","90","","90","","1704.58","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","","Kummer, David A.; Li, Derun; Dion, Amelie; Myers, Andrew G.","A practical, convergent route to the key precursor to the tetracycline antibiotics.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","9","1710","1718","10.1039/C1SC00303H","","","1.54178","CuKα","","0.0257","0.0256","","","0.0695","0.0696","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515650","11.2346","0.0002","7.9046","0.0002","14.0597","0.0003","90","","94.892","0.001","90","","1244.02","0.05","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H22 Cl N O5 S2 -","- C27 H22 Cl N O5 S2 -","- C54 H44 Cl2 N2 O10 S4 -","2","1","","Atienza, Roxanne L.; Roth, Howard S.; Scheidt, Karl A.","N-heterocyclic carbene-catalyzed rearrangements of vinyl sulfones.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","9","1772","1776","10.1039/C1SC00194A","","","0.71073","MoKα","","0.0634","0.0404","","","0.0764","0.0947","","","","","","0.9","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515768","8.8343","0.0011","27.11","0.004","17.039","0.002","90","","92.118","0.002","90","","4078","0.9","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","rkl-100180-E10","toste03","","- C44 H52 Au N2 O3 P -","- C44 H52 Au N2 O3 P -","- C176 H208 Au4 N8 O12 P4 -","4","1","","Lalonde, Rebecca L.; Brenzovich, Jr, William E; Benitez, Diego; Tkatchouk, Ekaterina; Kelley, Kotaro; Goddard, 3rd, William A; Toste, F. Dean","Alkylgold complexes by the intramolecular aminoauration of unactivated alkenes.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","2","226","","10.1039/C0SC00255K","","","0.71073","MoKα","","0.0844","0.0656","","","0.1566","0.1636","","","","","","1.251","","","","has coordinates","259043","2020-11-08","03:45:06",""
"1515769","9.2568","0.0019","12.331","0.003","15.174","0.003","95.195","0.003","105.262","0.003","101.577","0.003","1618","0.6","139","2","139","2","","","","","","","","6","P -1","-P 1","2","KK-140","toste15","","- C39 H39 Au N2 O P -","- C39 H39 Au N2 O P -","- C78 H78 Au2 N4 O2 P2 -","2","1","","Lalonde, Rebecca L.; Brenzovich, Jr, William E; Benitez, Diego; Tkatchouk, Ekaterina; Kelley, Kotaro; Goddard, 3rd, William A; Toste, F. Dean","Alkylgold complexes by the intramolecular aminoauration of unactivated alkenes.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","2","226","","10.1039/C0SC00255K","","","0.71073","MoKα","","0.0645","0.0418","","","0.0858","0.0971","","","","","","0.999","","","","has coordinates","259044","2020-11-08","03:47:43",""
"1515815","6.9199","0.0007","16.655","0.0016","18.415","0.0018","90","","90","","90","","2122.3","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","09188a","","","- C24 H24 N2 O7 -","- C24 H24 N2 O7 -","- C96 H96 N8 O28 -","4","1","","Krenske, Elizabeth H.; Houk, K. N.; Lohse, Andrew G.; Antoline, Jennifer E.; Hsung, Richard P.","Stereoselectivity in Oxyallyl-Furan 4+3 Cycloadditions: Control of Intermediate Conformations and Dispersive Stabilisation with Evans' Oxazolidinones.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","3","387","392","10.1039/C0SC00280A","","","0.71073","MoKα","","0.0452","0.032","","","0.0738","0.0813","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515816","6.7539","0.0011","19.324","0.003","21.197","0.004","90","","94.231","0.003","90","","2758.9","0.8","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","09189a","","","- C32 H32 N2 O7 -","- C32 H32 N2 O7 -","- C128 H128 N8 O28 -","4","2","","Krenske, Elizabeth H.; Houk, K. N.; Lohse, Andrew G.; Antoline, Jennifer E.; Hsung, Richard P.","Stereoselectivity in Oxyallyl-Furan 4+3 Cycloadditions: Control of Intermediate Conformations and Dispersive Stabilisation with Evans' Oxazolidinones.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","3","387","392","10.1039/C0SC00280A","","","0.71073","MoKα","","0.1235","0.0696","","","0.1454","0.1777","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515841","13.5873","0.0014","6.9161","0.0007","15.7114","0.0017","90","","98.786","0.002","90","","1459.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H16 Br N4 O4.5 -","- C12 H16 Br N4 O4.5 -","- C48 H64 Br4 N16 O18 -","4","2","","Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu","Total synthesis of all (-)-Agelastatin alkaloids.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","5","561","566","10.1039/c0sc00351d","","","0.71073","MoKα","","0.0437","0.0346","","","0.0795","0.0829","","","","","","1.017","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515842","6.7838","0.0007","8.118","0.0009","12.9579","0.0014","90","","100.117","0.002","90","","702.51","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Br2 N4 O3 -","- C12 H12 Br2 N4 O3 -","- C24 H24 Br4 N8 O6 -","2","1","","Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu","Total synthesis of all (-)-Agelastatin alkaloids.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","5","561","566","10.1039/c0sc00351d","","","0.71073","MoKα","","0.0243","0.0227","","","0.0488","0.0491","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515843","6.1269","0.0007","6.8919","0.0009","29.087","0.004","90","","90","","90","","1228.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br N4 O3 -","- C11 H11 Br N4 O3 -","- C44 H44 Br4 N16 O12 -","4","1","","Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu","Total synthesis of all (-)-Agelastatin alkaloids.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","5","561","566","10.1039/c0sc00351d","","","0.71073","MoKα","","0.0515","0.0464","","","0.1115","0.1133","","","","","","1.161","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515844","8.4061","0.0009","9.2037","0.001","17.3522","0.0018","90","","90","","90","","1342.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 Br N2 O4 -","- C11 H13 Br N2 O4 -","- C44 H52 Br4 N8 O16 -","4","1","","Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu","Total synthesis of all (-)-Agelastatin alkaloids.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","5","561","566","10.1039/c0sc00351d","","","0.71073","MoKα","","0.0241","0.0224","","","0.0556","0.0561","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515845","10.3843","0.0011","10.7461","0.0011","14.0947","0.0015","90","","90","","90","","1572.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Br N4 O4 -","- C14 H19 Br N4 O4 -","- C56 H76 Br4 N16 O16 -","4","1","","Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu","Total synthesis of all (-)-Agelastatin alkaloids.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","5","561","566","10.1039/c0sc00351d","","","0.71073","MoKα","","0.0328","0.0277","","","0.0625","0.0643","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515846","9.2556","0.0009","8.0917","0.0008","11.7613","0.0012","90","","91.799","0.002","90","","880.41","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H17 Br N2 O3 S -","- C17 H17 Br N2 O3 S -","- C34 H34 Br2 N4 O6 S2 -","2","1","","Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu","Total synthesis of all (-)-Agelastatin alkaloids.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","5","561","566","10.1039/c0sc00351d","","","0.71073","MoKα","","0.0282","0.0251","","","0.056","0.057","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516563","17.7553","0.0006","4.9562","0.0002","13.1145","0.0004","90","","95.52","0.002","90","","1148.71","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F N O2 -","- C14 H12 F N O2 -","- C56 H48 F4 N4 O8 -","4","1","","Jin, Li-Mei; Lu, Hongjian; Cui, Yuan; Lizardi, Christopher L.; Arzua, Thiago N.; Wojtas, Lukasz; Cui, Xin; Zhang, X. Peter","Selective Radical Amination of Aldehydic C(sp(2))-H Bonds with Fluoroaryl Azides via Co(II)-Based Metalloradical Catalysis: Synthesis of N-Fluoroaryl Amides from Aldehydes under Neutral and Nonoxidative Conditions.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","6","2422","2427","10.1039/C4SC00697F","","","1.54178","CuKα","","0.0475","0.0358","","","0.0844","0.0907","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516564","24.8585","0.0005","24.8585","0.0005","16.8633","0.0003","90","","90","","120","","9024.5","0.3","228","2","228","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H15 F5 N2 O3 -","- C20 H15 F5 N2 O3 -","- C360 H270 F90 N36 O54 -","18","1","","Jin, Li-Mei; Lu, Hongjian; Cui, Yuan; Lizardi, Christopher L.; Arzua, Thiago N.; Wojtas, Lukasz; Cui, Xin; Zhang, X. Peter","Selective Radical Amination of Aldehydic C(sp(2))-H Bonds with Fluoroaryl Azides via Co(II)-Based Metalloradical Catalysis: Synthesis of N-Fluoroaryl Amides from Aldehydes under Neutral and Nonoxidative Conditions.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","6","2422","2427","10.1039/C4SC00697F","","","1.54178","CuKα","","0.0585","0.0428","","","0.1095","0.1229","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517165","12.936","0.0018","17.448","0.002","21.111","0.003","90","","90","","90","","4764.9","1.1","15","2","15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H53 Cl9 N2 O11 -","- C38 H53 Cl9 N2 O11 -","- C152 H212 Cl36 N8 O44 -","4","1","","Kim, Ki Hyun; Ramadhar, Timothy R.; Beemelmanns, Christine; Cao, Shugeng; Poulsen, Michael; Currie, Cameron R.; Clardy, Jon","Natalamycin A, an Ansamycin from a Termite-Associated Streptomyces sp.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","11","4333","4338","10.1039/C4SC01136H","","","0.41328","synchrotron","","0.0649","0.0635","","","0.184","0.1913","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517206","19.3677","0.0007","4.6908","0.0002","11.3487","0.0004","90","","95.521","0.002","90","","1026.25","0.07","100","2","99.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Cl O2 -","- C12 H11 Cl O2 -","- C48 H44 Cl4 O8 -","4","1","","Liu, Kun; Hovey, M. Todd; Scheidt, Karl A.","A Cooperative N-Heterocyclic Carbene/Palladium Catalysis System.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","10","4026","4031","10.1039/C4SC01536C","","","1.54178","CuKα","","0.0296","0.0267","","","0.0644","0.066","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517357","8.4484","0.0019","6.0156","0.0013","16.494","0.004","90","","104.755","0.003","90","","810.6","0.3","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 Br O3 -","- C18 H17 Br O3 -","- C36 H34 Br2 O6 -","2","1","","Abascal, Nadia C.; Lichtor, Phillip A.; Giuliano, Michael W.; Miller, Scott J.","Function-Oriented Investigations of a Peptide-Based Catalyst that Mediates Enantioselective Allylic Alcohol Epoxidation.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","11","4504","4511","10.1039/C4SC01440E","","","0.71073","MoKα","","0.0281","0.025","","","0.0583","0.0599","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517458","8.9943","0.0002","12.2511","0.0002","22.3616","0.0016","90","","90","","90","","2464.03","0.19","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N2 O -","- C32 H32 N2 O -","- C128 H128 N8 O4 -","4","1","","Hopkins, B. A.; Wolfe, J. P.","Enantioselective Synthesis of Tetrahydroquinolines, Tetrahydroquinoxalines, and Tetrahydroisoquinolines via Pd-Catalyzed Alkene Carboamination Reactions.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","12","4840","4844","10.1039/C4SC01327A","","","1.54178","CuKα","","0.025","0.0248","","","0.0653","0.0654","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517493","5.6521","0.0001","23.6399","0.0004","11.7535","0.0002","90","","92.736","0.002","90","","1568.65","0.05","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C72 H76 N4 O8 S4 -","4","1","","Bao, Hongli; Bayeh, Liela; Tambar, Uttam K.","Regioselective and Diastereoselective Aminoarylation of 1,3-Dienes.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","12","4863","4867","10.1039/C4SC01152J","","","1.54184","CuKα","","0.0572","0.0526","","","0.1409","0.1469","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517679","7.9704","0.0006","9.6387","0.0007","26.395","0.002","90","","98.556","0.004","90","","2005.2","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 B2 F8 N4 -","- C18 H18 B2 F8 N4 -","- C72 H72 B8 F32 N16 -","4","1","","Jo, Hyun Hwa; Edupuganti, Ramakrishna; You, Lei; Dalby, Kevin N.; Anslyn, Eric V.","Mechanistic Studies on Covalent Assemblies of Metal-Mediated Hemi-Aminal Ethers.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","1","158","164","10.1039/C4SC02495H","","","0.71073","MoKα","","0.0746","0.0482","","","0.1119","0.1281","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517870","11.7956","0.0012","12.394","0.0012","13.9527","0.0014","85.713","0.005","81.671","0.006","80.615","0.005","1988.5","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H29 Cl N Rh -","- C21 H26 Cl N Rh -","- C84 H104 Cl4 N4 Rh4 -","4","2","","Hyster, Todd K.; Dalton, Derek M.; Rovis, Tomislav","Ligand Design for Rh(III)-Catalyzed C-H Activation: An Unsymmetrical Cyclopentadienyl Enables a Regioselective Synthesis of Dihydroisoquinolones.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","1","254","258","10.1039/C4SC02590C","","","0.71073","MoKα","","0.1003","0.0519","","","0.1073","0.1324","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517889","5.7962","0.0003","29.2094","0.0014","15.6928","0.0008","90","","97.272","0.003","90","","2635.5","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","HM-II-156A-needles","tostediazene","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C120 H120 N12 O18 -","6","3","","Nelson, H. M.; Patel, J. S.; Shunatona, H. P.; Toste, F. D.","Enantioselective α-Amination Enabled by a BINAM-Derived Phase-Transfer Catalyst.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","1","170","173","10.1039/C4SC02494J","","","1.54178","CuKα","","0.0448","0.0431","","","0.111","0.1126","","","","","","1.024","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"1518239","19.23","0.002","43.035","0.005","10.2776","0.0012","90","","90","","90","","8505.4","1.7","98","2","98","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C42 H44 Cl6 Fe N4 -","- C42 H44 Cl6 Fe N4 -","- C336 H352 Cl48 Fe8 N32 -","8","0.5","","Fillman, Kathlyn L.; Przyojski, Jacob A.; Al-Afyouni, Malik H; Tonzetich, Zachary J.; Neidig, Michael L.","A combined magnetic circular dichroism and density functional theory approach for the elucidation of electronic structure and bonding in three- and four-coordinate iron(II)-N-heterocyclic carbene complexes.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1178","1188","10.1039/c4sc02791d","","","0.71073","MoKα","","0.0355","0.0349","","","0.0921","0.0926","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518240","10.777","0.006","19.521","0.011","18.542","0.012","90","","103.339","0.012","90","","3796","4","98","2","98","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H54 Fe N2 Si2 -","- C35 H54 Fe N2 Si2 -","- C140 H216 Fe4 N8 Si8 -","4","0.5","","Fillman, Kathlyn L.; Przyojski, Jacob A.; Al-Afyouni, Malik H; Tonzetich, Zachary J.; Neidig, Michael L.","A combined magnetic circular dichroism and density functional theory approach for the elucidation of electronic structure and bonding in three- and four-coordinate iron(II)-N-heterocyclic carbene complexes.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1178","1188","10.1039/c4sc02791d","","","0.71073","MoKα","","0.0485","0.0462","","","0.1261","0.1287","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518241","7.6475","0.0008","12.4439","0.0012","15.3186","0.0015","102.743","0.002","95.406","0.002","101.351","0.002","1379.6","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","neikm03","","","- C6 H18 Cl2 Fe P2 -","- C6 H18 Cl2 Fe P2 -","- C24 H72 Cl8 Fe4 P8 -","4","2","","Fillman, Kathlyn L.; Przyojski, Jacob A.; Al-Afyouni, Malik H; Tonzetich, Zachary J.; Neidig, Michael L.","A combined magnetic circular dichroism and density functional theory approach for the elucidation of electronic structure and bonding in three- and four-coordinate iron(II)-N-heterocyclic carbene complexes.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1178","1188","10.1039/c4sc02791d","","","0.71073","MoKα","","0.0563","0.0338","","","0.0767","0.087","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518275","7.0592","0.0002","9.6718","0.0003","18.5618","0.0006","90","","91.179","0.002","90","","1267.04","0.07","228","2","228","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H19 N O -","- C14 H19 N O -","- C56 H76 N4 O4 -","4","1","","Cui, Xin; Xu, Xue; Jin, Li-Mei; Wojtas, Lukasz; Zhang, X. Peter","Stereoselective Radical C-H Alkylation with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1219","1224","10.1039/C4SC02610A","","","1.54178","CuKα","","0.0408","0.0383","","","0.1005","0.1025","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518276","6.7037","0.0001","10.0938","0.0002","9.5452","0.0002","90","","108.132","0.001","90","","613.81","0.02","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 O4 S -","- C12 H14 O4 S -","- C24 H28 O8 S2 -","2","1","","Cui, Xin; Xu, Xue; Jin, Li-Mei; Wojtas, Lukasz; Zhang, X. Peter","Stereoselective Radical C-H Alkylation with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1219","1224","10.1039/C4SC02610A","","","1.54178","CuKα","","0.0341","0.0324","","","0.0785","0.0796","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518277","7.7539","0.0003","8.4364","0.0003","22.2865","0.0006","90","","90","","90","","1457.87","0.09","228","2","228","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Cl2 F O4 S -","- C12 H11 Cl2 F O4 S -","- C48 H44 Cl8 F4 O16 S4 -","4","1","","Cui, Xin; Xu, Xue; Jin, Li-Mei; Wojtas, Lukasz; Zhang, X. Peter","Stereoselective Radical C-H Alkylation with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1219","1224","10.1039/C4SC02610A","","","1.54178","CuKα","","0.0507","0.0417","","","0.0979","0.1036","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518452","15.865","0.001","15.865","0.001","11.7214","0.0008","90","","90","","120","","2555","0.3","150","2","150","2","","","","","","","","5","P 32","P 32","145","","","","- C36 H58 Cl N3 O2 -","- C36 H56 Cl N3 O2 -","- C108 H168 Cl3 N9 O6 -","3","1","","Bandar, Jeffrey S.; Barthelme, Alexandre P.; Mazori, Alon Y.; Lambert, Tristan H.","Structure-Activity Relationship Studies of Cyclopropenimines as Enantioselective Brønsted Base Catalysts.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1537","1547","10.1039/C4SC02402H","","","0.71073","MoKα","","0.0598","0.0448","","","0.1095","0.1195","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518543","9.9404","0.0003","15.744","0.0004","17.7587","0.0004","90","","100.059","0.001","90","","2736.54","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H76 Mo2 O10 -","- C58 H76 Mo2 O10 -","- C116 H152 Mo4 O20 -","2","0.5","","Brown-Xu, Samantha E; Chisholm, Malcolm H.; Durr, Christopher B.; Spilker, Thomas F.; Young, Philip J.","MM Quadruply Bonded Complexes Supported by Vinylbenzoate Ligands: Synthesis, Characterization, Photophysical Properties and Application as Synthons.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","3","1780","1791","10.1039/C4SC02542C","","x-ray","0.71073","MoKα","","0.0719","0.0506","","","0.1186","0.1319","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518544","9.8343","0.0002","11.252","0.0002","15.714","0.0003","107","0.001","105.165","0.001","90.114","0.001","1599.14","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H76 Mo2 O10 -","- C58 H76 Mo2 O10 -","- C58 H76 Mo2 O10 -","1","0.5","","Brown-Xu, Samantha E; Chisholm, Malcolm H.; Durr, Christopher B.; Spilker, Thomas F.; Young, Philip J.","MM Quadruply Bonded Complexes Supported by Vinylbenzoate Ligands: Synthesis, Characterization, Photophysical Properties and Application as Synthons.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","3","1780","1791","10.1039/C4SC02542C","","x-ray","0.71073","MoKα","","0.0496","0.0378","","","0.0978","0.1038","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518604","11.9997","0.0004","12.0093","0.0004","16.8043","0.0005","90","","90","","90","","2421.63","0.13","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 N2 O2 Si -","- C23 H38 N2 O2 Si -","- C92 H152 N8 O8 Si4 -","4","1","","Xu, Xinfang; Deng, Yongming; Yim, David N.; Zavalij, Peter Y.; Doyle, Michael P.","Enantioselective cis-β-lactam synthesis by intramolecular C-H functionalization from enoldiazoacetamides and derivative donor-acceptor cyclopropenes.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","4","2196","2201","10.1039/C4SC03991B","","","0.71073","MoKα","","0.0358","0.0339","","","0.108","0.1087","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518605","11.2159","0.0007","12.555","0.0008","18.1382","0.0012","70.206","0.003","85.323","0.003","67.45","0.002","2216.1","0.3","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C83 H82 F24 N12 O5 P4 Ru2 -","- C83 H82 F24 N12 O5 P4 Ru2 -","- C83 H82 F24 N12 O5 P4 Ru2 -","1","0.5","","Griepenburg, J. C.; Rapp, T. L.; Carroll, P. J.; Eberwine, J.; Dmochowski, I. J.","Ruthenium-Caged Antisense Morpholinos for Regulating Gene Expression in Zebrafish Embryos.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","4","2342","2346","10.1039/C4SC03990D","","","0.71073","MoKα","","0.0292","0.0266","","","0.063","0.0655","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518865","8.6161","0.0016","8.9124","0.0009","25.571","0.003","90","","99.438","0.009","90","","1937","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C92 H108 N4 O8 -","4","1","","Yu, Yang; Tambar, Uttam K.","Palladium-Catalyzed Cross-Coupling of α-Bromocarbonyls and Allylic Alcohols for the Synthesis of α-Aryl Dicarbonyl Compounds.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","5","2777","2781","10.1039/C5SC00505A","","","0.71073","MoKα","","0.0856","0.0449","","","0.0862","0.1016","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520533","7.5962","0.0004","8.0111","0.0004","10.4017","0.0006","111.355","0.0006","93.168","0.0007","90.2112","0.0006","588.43","0.05","88","2","88","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C30 H32 O4 -","2","1","","Park, Jung-Woo; Kou, Kevin G. M.; Kim, Daniel K.; Dong, Vy M.","Rh-Catalyzed Desymmetrization of α-Quaternary Centers by Isomerization-Hydroacylation.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","8","4479","4483","10.1039/C5SC01553G","","","0.71073","MoKα","","0.0417","0.036","","","0.0944","0.0994","","","","","","1.049","","","","has coordinates","170999","2020-10-21","18:00:00",""
"1520534","7.9466","0.0005","14.9541","0.001","16.2556","0.0011","78.9198","0.0008","79.5663","0.0009","82.7612","0.0009","1856","0.2","88","2","88","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H20 N4 O4 -","- C20 H20 N4 O4 -","- C80 H80 N16 O16 -","4","4","","Park, Jung-Woo; Kou, Kevin G. M.; Kim, Daniel K.; Dong, Vy M.","Rh-Catalyzed Desymmetrization of α-Quaternary Centers by Isomerization-Hydroacylation.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","8","4479","4483","10.1039/C5SC01553G","","","0.71073","MoKα","","0.0413","0.0377","","","0.0925","0.0955","","","","","","1.025","","","","has coordinates","170999","2020-10-21","18:00:00",""
"1520595","7.9384","0.0005","7.0246","0.0005","12.9394","0.0008","90","","98.464","0.004","90","","713.7","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","EM03-093B","sarpong38","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C30 H40 N4 O6 -","2","1","","Mercado-Marin, Eduardo V; Sarpong, Richmond","Unified Approach to Prenylated Indole Alkaloids: Total Syntheses of (-)-17-Hydroxy-Citrinalin B, (+)-Stephacidin A, and (+)-Notoamide I.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","8","5048","5052","10.1039/C5SC01977J","","","1.54178","CuKα","","0.0403","0.039","","","0.1064","0.1078","","","","","","1.067","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1520596","8.7961","0.0004","9.7026","0.0005","35.0914","0.0018","90","","90","","90","","2994.9","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","EM07-137C","sarpong107","","- C26 H29 N3 O3 -","- C26 H29 N3 O3 -","- C104 H116 N12 O12 -","4","1","","Mercado-Marin, Eduardo V; Sarpong, Richmond","Unified Approach to Prenylated Indole Alkaloids: Total Syntheses of (-)-17-Hydroxy-Citrinalin B, (+)-Stephacidin A, and (+)-Notoamide I.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","8","5048","5052","10.1039/C5SC01977J","","","1.54178","CuKα","","0.066","0.0628","","","0.1563","0.1589","","","","","","1.055","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1520751","11.9993","0.0009","4.2453","0.0003","29.803","0.002","90","","100.261","0.004","90","","1493.9","0.18","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Suh, Sung-Eun; Barros, Stephanie A.; Chenoweth, David M.","Triple Aryne-Tetrazine Reaction Enabling Rapid Access to a New Class of Polyaromatic Heterocycles.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","9","5128","5132","10.1039/C5SC01726B","","","0.71073","MoKα","","0.0664","0.0541","","","0.1464","0.1579","","","","","","1.104","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529313","10.2391","0.0006","11.4922","0.0006","24.9637","0.0012","91.304","0.0013","98.318","0.0017","114.935","0.0014","2624.1","0.2","93","2","93","2","","","","","","","","6","P 1","P 1","1","","","","- C27 H29 Br N O6 P -","- C27 H29 Br N O6 P -","- C108 H116 Br4 N4 O24 P4 -","4","4","","Horwitz, Matthew A.; Tanaka, Naoya; Yokosaka, Takuya; Uraguchi, Daisuke; Johnson, Jeffrey S.; Ooi, Takashi","Enantioselective reductive multicomponent coupling reactions between isatins and aldehydes.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","11","6086","6090","10.1039/C5SC02170G","","","0.71073","MoKα","","0.0453","0.0399","","","0.1044","0.1249","","","","","","1.077","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529415","9.0302","0.0011","10.7298","0.0011","13.2534","0.0013","93.47","0.008","92.319","0.009","93.973","0.009","1277.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 Cl O3 S -","- C31 H23 Cl O3 S -","- C62 H46 Cl2 O6 S2 -","2","1","","Chen, Zhen-Zhen; Liu, Shuai; Hao, Wen-Juan; Xu, Ge; Wu, Shuo; Miao, Jiao-Na; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen","Catalytic arylsulfonyl radical-triggered 1,5-enyne-bicyclizations and hydrosulfonylation of α,β-conjugates.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","11","6654","6658","10.1039/c5sc02343b","","","0.71073","MoKα","","0.1365","0.0644","","","0.111","0.1542","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540455","27.57803","0.00073","11.91923","0.00033","27.111","0.00073","90","0","95.085","0.0008","90","0","8876.6","0.4","100","2","100","2","","","","","","","Synthesized","6","C 1 2/c 1","-C 2yc","15","[(Fc2-NHC)2Au][Cl]","","","- C94 H100 Au2 Cl6 Fe4 N8 -","- C94 H100 Au2 Cl6 Fe4 N8 -","- C376 H400 Au8 Cl24 Fe16 N32 -","4","0.5","","Arambula, J. F.; McCall, R.; Sidoran, K. J.; Magda, D.; Mitchell, N. A.; Bielawski, C. W.; Lynch, V. M.; Sessler, J. L.; Arumugam, K.","Targeting Antioxidant Pathways with Ferrocenylated N-Heterocyclic Carbene Supported Gold(I) Complexes in A549 Lung Cancer Cells.","Chemical science (Royal Society of Chemistry : 2010)","2016","7","2","1245","1256","10.1039/C5SC03519H","","","0.71069","MoKα","","0.0522","0.0495","","","0.1294","0.1306","","","","","","1.204","","","","has coordinates,has disorder","177711","2020-10-21","18:00:00",""
"1540456","12.3866","0.00231","12.62423","0.00237","15.23356","0.00286","90.566","0.0045","98.3173","0.004","114.321","0.004","2141.5","0.7","100","2","100","2","","","","","","","synthesized","6","P -1","-P 1","2","[Fc2-NHC)2Au][I]","","","- C50 H48 Au Fe4 I N4 -","- C50 H48 Au Fe4 I N4 -","- C100 H96 Au2 Fe8 I2 N8 -","2","1","","Arambula, J. F.; McCall, R.; Sidoran, K. J.; Magda, D.; Mitchell, N. A.; Bielawski, C. W.; Lynch, V. M.; Sessler, J. L.; Arumugam, K.","Targeting Antioxidant Pathways with Ferrocenylated N-Heterocyclic Carbene Supported Gold(I) Complexes in A549 Lung Cancer Cells.","Chemical science (Royal Society of Chemistry : 2010)","2016","7","2","1245","1256","10.1039/C5SC03519H","","","0.71069","MoKα","","0.0724","0.0644","","","0.1832","0.1903","","","","","","1.049","","","","has coordinates,has disorder","177711","2020-10-21","18:00:00",""
"1540558","13.4225","0.0014","14.2249","0.0015","24.728","0.003","74.619","0.002","89.572","0.002","62.126","0.001","3986.3","0.8","120","2","120","2","","","","","","","","9","P -1","-P 1","2","MBar-JCA-1-107","","","- C40.75 H30.5 Au Cl1.5 Cr N O9 P S -","- C40.75 H29.5 Au Cl1.5 Cr N O9 P S -","- C163 H118 Au4 Cl6 Cr4 N4 O36 P4 S4 -","4","2","","Applegate, Jason C.; Okeowo, Monisola K.; Erickson, Nathan R.; Neal, Brad M.; Berrie, Cindy L.; Gerasimchukand, Nikolay N.; Barybin, Mikhail V.","First π-linker featuring mercapto and isocyano anchoring groups within the same molecule: Synthesis, heterobimetallic complexation and self-assembly on Au(111).","Chemical science (Royal Society of Chemistry : 2010)","2016","7","2","1422","1429","10.1039/C5SC04017E","","","0.71073","MoKα","","0.0954","0.0469","","","0.0843","0.1054","","","","","","1.041","","","","has coordinates,has disorder","177710","2020-10-21","18:00:00",""
"1540582","9.6325","0.0002","13.413","0.0003","18.8693","0.0013","96.651","0.007","91.573","0.007","109.521","0.008","2276.6","0.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","(2-hydroxy-6-(2-(pyridin-2-yl)phenyl)cyclohexyl)(4-(trifluoromethyl)phenyl)methanone","","- C26.75 H24 F3 N O2 -","- C26.75 H24 F3 N O2 -","- C107 H96 F12 N4 O8 -","4","2","","Boerth, Jeffrey A.; Ellman, Jonathan A.","Rh(III)-Catalyzed Diastereoselective C-H Bond Addition/Cyclization Cascade of Enone Tethered Aldehydes.","Chemical science (Royal Society of Chemistry : 2010)","2016","7","2","1474","1479","10.1039/C5SC04138D","","","1.54187","CuKα","","0.0428","0.0394","","","0.1018","0.1039","","","","","","1.072","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1540583","11.854","0.0008","13.0781","0.0009","16.154","0.0011","79.702","0.002","80.128","0.002","73.163","0.002","2339.2","0.3","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","Cp*Rhodium(III) Enolate of 1-phenyl-3-(2-(pyridin-2-yl)phenyl)propan-1-one","","- C54 H31 B F20 N O Rh -","- C54 H31 B F20 N O Rh -","- C108 H62 B2 F40 N2 O2 Rh2 -","2","1","","Boerth, Jeffrey A.; Ellman, Jonathan A.","Rh(III)-Catalyzed Diastereoselective C-H Bond Addition/Cyclization Cascade of Enone Tethered Aldehydes.","Chemical science (Royal Society of Chemistry : 2010)","2016","7","2","1474","1479","10.1039/C5SC04138D","","","1.54178","CuKα","","0.026","0.025","","","0.0727","0.0731","","","","","","1.126","","","","has coordinates","177712","2020-10-21","18:00:00",""