# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-19T22:49:47+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Combinatorial Chemistry') AND volume = 9 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
"1505007","10.0825","0.0007","18.239","0.003","13.8361","0.0012","90","","96.606","0.006","90","","2527.5","0.5","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 B N3 O -","- C29 H34 B N3 O -","- C116 H136 B4 N12 O4 -","4","1","","Soutullo, Morgan D.; Odom, Carl I.; Salter, E. Alan; Stenson, Alexandra C.; Sykora, Richard E.; Wierzbicki, Andrzej; Davis, James H.","Ultra-Easy Access to NH2-Functionalized TSILs, Their Potential as Highly Volume-Efficient Electrophile Scavengers, and Insights into the Electronics of Girard's Reagent T, A Venerable Chemical Work Horse","Journal of Combinatorial Chemistry","2007","9","4","571","","10.1021/cc060151j","","","0.71073","MoKα","","0.1184","0.0421","","","0.1045","0.1271","","","","","","0.985","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505008","12.7145","0.0017","15.8471","0.0017","15.7636","0.0015","90","","100.298","0.009","90","","3125","0.6","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 B N4 O2 -","- C36 H39 B N4 O2 -","- C144 H156 B4 N16 O8 -","4","1","","Soutullo, Morgan D.; Odom, Carl I.; Salter, E. Alan; Stenson, Alexandra C.; Sykora, Richard E.; Wierzbicki, Andrzej; Davis, James H.","Ultra-Easy Access to NH2-Functionalized TSILs, Their Potential as Highly Volume-Efficient Electrophile Scavengers, and Insights into the Electronics of Girard's Reagent T, A Venerable Chemical Work Horse","Journal of Combinatorial Chemistry","2007","9","4","571","","10.1021/cc060151j","","","0.71073","MoKα","","0.0701","0.0376","","","0.0959","0.1097","","","","","","1.019","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505009","16.63","0.002","13.9808","0.0015","12.999","0.003","90","","91.48","0.02","90","","3021.3","0.9","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 B N3 O -","- C33 H40 B N3 O -","- C132 H160 B4 N12 O4 -","4","1","","Soutullo, Morgan D.; Odom, Carl I.; Salter, E. Alan; Stenson, Alexandra C.; Sykora, Richard E.; Wierzbicki, Andrzej; Davis, James H.","Ultra-Easy Access to NH2-Functionalized TSILs, Their Potential as Highly Volume-Efficient Electrophile Scavengers, and Insights into the Electronics of Girard's Reagent T, A Venerable Chemical Work Horse","Journal of Combinatorial Chemistry","2007","9","4","571","","10.1021/cc060151j","","","0.71073","MoKα","","0.2422","0.0511","","","0.1019","0.148","","","","","","0.92","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505010","14.1478","0.0011","10.2584","0.0008","21.693","0.007","90","","103.87","0.01","90","","3056.6","1.1","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H39 B N4 O2 -","- C33 H39 B N4 O2 -","- C132 H156 B4 N16 O8 -","4","1","","Soutullo, Morgan D.; Odom, Carl I.; Salter, E. Alan; Stenson, Alexandra C.; Sykora, Richard E.; Wierzbicki, Andrzej; Davis, James H.","Ultra-Easy Access to NH2-Functionalized TSILs, Their Potential as Highly Volume-Efficient Electrophile Scavengers, and Insights into the Electronics of Girard's Reagent T, A Venerable Chemical Work Horse","Journal of Combinatorial Chemistry","2007","9","4","571","","10.1021/cc060151j","","","0.71073","MoKα","","0.0923","0.0597","","","0.1672","0.1893","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505011","36.34","0.015","11.78","0.005","11.87","0.005","90","","102.714","0.005","90","","4957","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H27 Cl N4 O3 -","- C28 H27 Cl N4 O3 -","- C224 H216 Cl8 N32 O24 -","8","1","","Tu, Shujiang; Li, Chunmei; Li, Guigen; Cao, Longji; Shao, Qingqing; Zhou, Dianxiang; Jiang, Bo; Zhou, Jianfeng; Xia, Min","Microwave-Assisted Combinatorial Synthesis of Polysubstituent Imidazo[1,2-a]quinoline, Pyrimido[1,2-a]quinoline and Quinolino[1,2-a]quinazoline Derivatives","Journal of Combinatorial Chemistry","2007","9","6","1144","","10.1021/cc700124g","","","0.71073","MoKα","","0.1448","0.0738","","","0.1776","0.2164","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505012","10.378","0.005","10.131","0.005","18.143","0.009","90","","97.406","0.008","90","","1891.6","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N3 O2 -","- C21 H20 Cl N3 O2 -","- C84 H80 Cl4 N12 O8 -","4","1","","Tu, Shujiang; Li, Chunmei; Li, Guigen; Cao, Longji; Shao, Qingqing; Zhou, Dianxiang; Jiang, Bo; Zhou, Jianfeng; Xia, Min","Microwave-Assisted Combinatorial Synthesis of Polysubstituent Imidazo[1,2-a]quinoline, Pyrimido[1,2-a]quinoline and Quinolino[1,2-a]quinazoline Derivatives","Journal of Combinatorial Chemistry","2007","9","6","1144","","10.1021/cc700124g","","","0.71073","MoKα","","0.184","0.0644","","","0.1503","0.2226","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505013","10.781","0.003","14.937","0.004","9.839","0.003","90","","106.27","0.005","90","","1521","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F N3 O2 -","- C18 H14 F N3 O2 -","- C72 H56 F4 N12 O8 -","4","1","","Tu, Shujiang; Li, Chunmei; Li, Guigen; Cao, Longji; Shao, Qingqing; Zhou, Dianxiang; Jiang, Bo; Zhou, Jianfeng; Xia, Min","Microwave-Assisted Combinatorial Synthesis of Polysubstituent Imidazo[1,2-a]quinoline, Pyrimido[1,2-a]quinoline and Quinolino[1,2-a]quinazoline Derivatives","Journal of Combinatorial Chemistry","2007","9","6","1144","","10.1021/cc700124g","","","0.71073","MoKα","","0.1168","0.0465","","","0.0845","0.1118","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1556079","11.5652","0.0019","4.8925","0.0008","13.332","0.002","90","","92.835","0.003","90","","753.4","0.2","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H12 Br Cl N2 O4 -","- C14 H12 Br Cl N2 O4 -","- C28 H24 Br2 Cl2 N4 O8 -","2","1","","Robins, Lori I.; Fettinger, James C.; Tinti, Dino S.; Kurth, Mark J.","Selective nucleophilic chemistry in the synthesis of 5-carbamoyl-3-sulfanylmethylisoxazole-4-carboxylic acids.","Journal of combinatorial chemistry","2007","9","1","139","142","10.1021/cc0601074","","","0.71073","MoKα","","0.0682","0.0552","","","0.1437","0.1484","","","","","","1.048","","","","has coordinates","239709","2020-10-21","18:00:00",""