# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T14:31:18+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 'Chemistry Central Journal') AND volume = 5 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
"1547213","12.7424","0.0009","17.4112","0.0007","21.0833","0.001","90","","90","","90","","4677.6","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H20 N12 O12 -","- C16 H20 N12 O12 -","- C128 H160 N96 O96 -","8","1","","Gustavo Portalone","Solid-phase molecular recognition of cytosine based on proton-transfer reaction. Part II. supramolecular architecture in the cocrystals of cytosine and its 5-Fluoroderivative with 5-Nitrouracil","Chemistry Central Journal","2011","5","","51","","10.1186/1752-153X-5-51","","","0.71069","MoKα","","0.1339","0.0801","","","0.1233","0.1386","","","","","","1.164","","","","has coordinates","200978","2020-10-21","18:00:00",""
"1547214","10.2066","0.0006","28.2758","0.0011","4.7187","0.0003","90","","111.293","0.006","90","","1268.85","0.13","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H11 F N6 O7 -","- C8 H11 F N6 O7 -","- C32 H44 F4 N24 O28 -","4","1","","Gustavo Portalone","Solid-phase molecular recognition of cytosine based on proton-transfer reaction. Part II. supramolecular architecture in the cocrystals of cytosine and its 5-Fluoroderivative with 5-Nitrouracil","Chemistry Central Journal","2011","5","","51","","10.1186/1752-153X-5-51","","","0.71069","MoKα","","0.068","0.067","","","0.1533","0.1535","","","","","","1.473","","","","has coordinates","200979","2020-10-21","18:00:00",""
"1547255","8.106","0.0001","10.241","0.0003","12.952","0.0004","90","","90","","90","","1075.19","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O5 -","- C10 H14 O5 -","- C40 H56 O20 -","4","1","","Van der Waals, Dominic; Pugh, Thomas; Ali Kahn, Monica; Stewart, Alan J. W.; Johnson, Andrew L.; Lewis, Simon E.","A Cobalt Complex of a Microbial Arene Oxidation Product","Chemistry Central Journal","2011","5","","80","","10.1186/1752-153X-5-80","","","0.71073","MoKα","","0.0419","0.0322","","","0.0712","0.0754","","","","","","1.031","","","","has coordinates","201074","2020-10-21","18:00:00",""
"1547256","7.305","0.0001","8.665","0.0001","23.568","0.0003","90","","90","","90","","1491.8","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Co O4 -","- C16 H19 Co O4 -","- C64 H76 Co4 O16 -","4","1","","Van der Waals, Dominic; Pugh, Thomas; Ali Kahn, Monica; Stewart, Alan J. W.; Johnson, Andrew L.; Lewis, Simon E.","A Cobalt Complex of a Microbial Arene Oxidation Product","Chemistry Central Journal","2011","5","","80","","10.1186/1752-153X-5-80","","","0.71073","mokα","","0.0291","0.0274","","","0.062","0.0625","","","","","","1.231","","","","has coordinates","201075","2020-10-21","18:00:00",""