# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-07-28T04:36:39+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 Physical Chemistry') AND volume = 125 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
"1564305","8.8991","","9.1263","","13.7411","","102.509","","94.403","","112.207","","993.032","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C4 H6 O3 -","- C4 H6 O3 -","- C32 H48 O24 -","8","4","","Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William","Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides","Journal of Physical Chemistry","2021","125","","3368","3384","10.1021/acs.jpcc.0c10797","","","","","","","","","","","","","","","","","","","","","has coordinates","267957","2021-08-05","13:20:43",""
"1564306","9.732","","6.8118","","26.969","","90","","97.3425","","90","","1773.18","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 O3 -","- C8 H14 O3 -","- C64 H112 O24 -","8","1","","Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William","Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides","Journal of Physical Chemistry","2021","125","","3368","3384","10.1021/acs.jpcc.0c10797","","","","","","","","","","","","","","","","","","","","","has coordinates","267877","2021-08-01","02:56:11",""
"1564307","9.5742","","7.399","","10.2346","","90","","107.188","","90","","692.633","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 O3 -","- C6 H10 O3 -","- C24 H40 O12 -","4","1","","Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William","Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides","Journal of Physical Chemistry","2021","125","","3368","3384","10.1021/acs.jpcc.0c10797","","","","","","","","","","","","","","","","","","","","","has coordinates","267878","2021-08-01","03:11:37",""
"1564308","4.8902","","28.1219","","5.1787","","90","","98.915","","90","","703.58","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H10 O3 -","- C6 H10 O3 -","- C24 H40 O12 -","4","2","","Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William","Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides","Journal of Physical Chemistry","2021","125","","3368","3384","10.1021/acs.jpcc.0c10797","","","","","","","","","","","","","","","","","","","","","has coordinates","267879","2021-08-01","03:15:25",""