# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-07T08:39:28+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 Molecular Structure') AND volume = 1016 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
"1513075","10.466","0.006","18.241","0.011","8.265","0.004","90","","90","","90","","1577.9","1.5","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","tyramine monohydrate","","","- C14 H23 N4 O6 -","- C16 H21 N2 O3 -","- C64 H84 N8 O12 -","4","1","","Ivanova, Bojidarka","Solid-state Raman spectra of non-centrosymmetric crystals – theoretical vs. experimental study towards an application in THz-regime","Journal of Molecular Structure","2012","1016","","47","","10.1016/j.molstruc.2012.02.040","","","0.71073","MoKα","","0.0841","0.0556","","","0.1498","0.1713","","","","","","0.904","","","","has coordinates","176729","2020-10-21","18:00:00",""