# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-08T04:35:44+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 21/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
"1543056","10.1435","0.0006","8.1542","0.0004","8.6239","0.0004","90","","92.3556","0.0015","90","","712.7","0.07","293","2","293","2","","","","","","","","3","P 21/c","-P 2ybc","14","rac-chiro-inositol","rac-chiro-1,2,3,4,5,6-cyclohexanehexol","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","","","Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco","On the correlation between hydrogen bonding and melting points in the inositols","IUCrJ","2013","1","1","61","73","10.1107/s2052252513026511","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","2.417","2.917","","","","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:46",""
"2009524","9.805","0.006","19.88","0.006","13.353","0.003","90","","124.48","0.03","90","","2145.6","1.5","295","","","","","","","","","","","5","P 21/c","-P 2ybc","","","","","- C21 H21 I O3 Sn -","","","4","","","Simard, M. G.; Wharf, I.","A Comparison of the Structures of Two Trimesityltin Iodide Solvates and Triphenyltin Iodide","Acta Crystallographica Section C","1994","50","3","397","403","10.1107/S0108270193008935","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"7101471","12.301","0.002","6.0698","0.0004","11.6656","0.0004","90","","100.958","0.004","90","","855.1","0.2","293","","293","","","","","","","","","4","P 21/c","-P 2ybc","14","3-Methyl-3-propylpyrrolidine-2,5-dione","3-Methyl-3-propylpyrrolidine-2,5-dione","","- C8 H13 N O2 -","- C8 H13 N O2 -","- C32 H52 N4 O8 -","4","","","M.Tremayne; S.Y.Chong","Combined optimization using Cultural and Differential Evolution: Application to crystal structure solution from powder diffraction data.","Chemical Communications","2006","","39","","","10.1039/b609138e","powder diffraction","","1.54056","CuKα~1~","","","","","","","","0.198","","1.04","","","","","","","has coordinates","301853","2025-08-21","21:49:53",""