# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-03-12T06:49:39+01:00
# 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 'Spectrochimica Acta A') AND volume = 77 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
"1513166","10.95","0.005","9.939","0.003","15.306","0.007","90","","104.334","0.013","90","","1613.9","1.2","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","1","","Bogdanov, M.; Svinyarov, I.; Ivanova, B.; Spiteller, M.","Synthesis, spectroscopic and structural study of trans- and cis- (±)-3-Phenyl-4-(Pyrrolidine-1-carbonyl)Isochroman-1-Ones","Spectrochimica Acta A","2010","77","","902","","10.1016/j.saa.2010.06.024","","","0.71073","MoKα","","0.0974","0.0645","","","0.1663","0.2114","","","","","","1.073","","","","has coordinates","301776","2025-08-18","14:47:43",""