# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-07-03T21:53:39+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 1 2/c 1 (a,2*b,c)' 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
"2300547","13.817","0.001","4.85","0.001","18.76","0.005","90","","74.34","0.019","90","","1210.5","0.4","100","","100","","","","","","","","","4","P 1 2/c 1 (a,2*b,c)","-P 2yc (x,1/2*y,z)","13","Cimetidine","N-Cyano-N'-methyl-N''-[2-((4-methyl-5-imidazolyl)-methylthio)ethyl]guanidine","","- C10 H16 N6 S -","- C10 H16 N6 S -","- C40 H64 N24 S4 -","4","","HE5576","Arakcheeva, Alla; Pattison, Philip; Bauer-Brandl, Annette; Birkedal, Henrik; Chapuis, Gervais","Cimetidine, C10H16N6S, form C: crystal structure and modelling of polytypes using the superspace approach","Journal of Applied Crystallography","2013","46","1","99","","10.1107/S0021889812048133","","synchrotron","0.71073","synchrotron","","0.0609","0.0458","","","0.0582","0.0712","","","","4.16","4.16","4.56","","","","has coordinates","176429","2020-10-21","18:00:00",""