# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-09-14T04:19:02+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 'CCDC database') 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
"1572986","10.2619","0.0003","13.6776","0.0003","10.9318","0.0003","90","","116.64","0.004","90","","1371.48","0.08","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H21 Cl4 N5 O2 S -","- C28 H21 Cl4 N5 O2 S -","- C56 H42 Cl8 N10 O4 S2 -","2","1","","M. Ali; Abdullah Mohammed Al-Majid; Muhanna K. Al-Muhanna; Mar Rios-Gutierrez; Matti Haukka; Abdulmajeed Abdullah Alayyaf; Assem Barakat","6-chloro-2'-[5-methyl-1-(2,4,6-trichlorophenyl)-1H-1,2,3-triazole-4-carbonyl]-1'- (thiophen-2-yl)-1',2',5',6',7',7'a-hexahydrospiro[indole-3,3'-pyrrolizin]-2(1H)-one","CCDC database","2024","","","2303110","2303110","10.5517/ccdc.csd.cc2h9kw8","","","0.71073","MoKα","","0.0435","0.0373","","","0.077","0.0806","","","","","","1.03","","","","has coordinates","295691","2024-10-31","12:18:29",""
"1572987","13.0012","0.0001","14.9692","0.0001","14.1178","0.0001","90","","97.101","0.001","90","","2726.5","0.03","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 Cl3 N5 O3 -","- C29 H24 Cl3 N5 O3 -","- C116 H96 Cl12 N20 O12 -","4","1","","M. Ali; Abdullah Mohammed Al-Majid; Muhanna K. Al-Muhanna; Mar Rios-Gutierrez; Matti Haukka; Abdulmajeed Abdullah Alayyaf; Assem Barakat","1'-(furan-2-yl)-5-methyl-2'-[5-methyl-1-(2,4,6-trichlorophenyl)- 1H-1,2,3-triazole-4-carbonyl]-1',2',5',6',7',7'a-hexahydrospiro[indole-3,3'- pyrrolizin]-2(1H)-one","CCDC database","2024","","","2303111","2303111","10.5517/ccdc.csd.cc2h9kx9","","","0.71073","MoKα","","0.0584","0.0422","","","0.1081","0.1177","","","","","","1.043","","","","has coordinates","295692","2024-10-31","12:19:47",""