# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-18T14:02:44+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 volume = 6 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
"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",""