# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-11T17:29:17+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 'Journal of Inclusion Phenomena and Macrocyclic Chemistry') 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
"1513060","6.7864","0.0008","12.0208","0.0016","22.005","0.003","90","","90","","90","","1795.1","0.4","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H29 N5 O5 -","- C12 H29 N5 O5 -","- C48 H116 N20 O20 -","4","1","","Ivanova, Bojidarka; Spiteller, Michael","Heptachloroepoxides - theoretical versus experimental study of the embedded samples in the matrixes of organic crystals","Journal of Inclusion Phenomena and Macrocyclic Chemistry","2013","76","","415","","10.1007/s10847-012-0213-x","","","0.71073","MoKα","","0.085","0.0582","","","0.154","0.1694","","","","","","1.056","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1513061","10.9481","0.0015","14.463","0.003","8.0063","0.0012","90","","90","","90","","1267.7","0.4","198","2","198","2","","","","","","","","4","P c a 21","P 2c -2ac","29","isophorone amino nitrimine","","","- C10 H22 N3 O3 -","- C10 H22 N3 O3 -","- C40 H88 N12 O12 -","4","1","","Ivanova, Bojidarka; Spiteller, Michael","Heptachloroepoxides - theoretical versus experimental study of the embedded samples in the matrixes of organic crystals","Journal of Inclusion Phenomena and Macrocyclic Chemistry","2013","76","","415","","10.1007/s10847-012-0213-x","","","0.71073","MoKα","","0.0804","0.0617","","","0.1548","0.167","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513062","4.8102","0.0019","5.795","0.002","13.462","0.005","84.048","0.011","87.302","0.012","83.256","0.012","370.4","0.2","199","2","199","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H15 Cl2 N3 O2 -","- C14 H15 Cl2 N3 O2 -","- C14 H15 Cl2 N3 O2 -","1","1","","Ivanova, Bojidarka; Spiteller, Michael","Heptachloroepoxides - theoretical versus experimental study of the embedded samples in the matrixes of organic crystals","Journal of Inclusion Phenomena and Macrocyclic Chemistry","2013","76","","415","","10.1007/s10847-012-0213-x","","","0.71073","MoKα","","0.0555","0.0481","","","0.1125","0.1169","","","","","","1.129","","","","has coordinates","301776","2025-08-18","14:47:42",""