# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T15:08:44+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 'Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry') AND volume = 36 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
"1000175","11.666","0.005","11.666","0.005","12.551","0.006","90","","90","","90","","1708.1","","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","Rubidium aluminium tetrafluoride - β","","- Al F4 Rb -","- Al F4 Rb -","- Al20 F80 Rb20 -","20","1.25","","Fourquet, J. L.; Plet, F.; de Pape, R.","RbAlF~4~: Structure of Its β Metastable Form and Description of the Mechanism of Its Irreversible and Topotactic Phase Transition β →α","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1980","36","9","1997","2000","10.1107/S0567740880007790","","","","","","0.0178","","","","","","","","","","","","","","","has coordinates","200141","2020-10-21","18:00:00",""
"1100276","7.378","0.004","9.74","0.005","11.406","0.006","80.83","0.04","81.26","0.04","81.88","0.04","794.01","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H23 Br O2 -","- C17 H23 Br O2 -","- C34 H46 Br2 O4 -","2","1","","Harms, K.; Jones, P. G.; Sheldrick, G. M.","(6aRS,9RS,10aRS)-4-Bromo-1-methoxy-6,6,9-trimethyl-6a,7,8,9,10,10a-hexahydro-6H-dibenzo[b,d]pyran","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1980","36","12","3157","3159","10.1107/S0567740880011132","","","","","","","","","","","","","","","","","","","","","has coordinates","176872","2020-10-21","18:00:00",""
"1100292","8.116","0.004","9.684","0.004","13.998","0.006","90","","90","","90","","1100.18","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C44 H56 O20 -","4","1","","Harms, K.; Jones, P. G.; Sheldrick, G. M.; Tietze, L. F.; Uzar, H. C.","Methyl (1S,5S,6S,7R)-6-formyl-7-methyl-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylate","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1980","36","12","3156","3157","10.1107/S0567740880011120","","","","","","","","","","","","","","","","","","","","","has coordinates","176912","2020-10-21","18:00:00",""
"1100309","7.44","0.002","11.609","0.002","12.295","0.003","90","","90","","90","","1061.93","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H20 Cl N O -","- C9 H20 Cl N O -","- C36 H80 Cl4 N4 O4 -","4","1","","Harms, K.; Sheldrick, G. M.; Fischer, R.; Tietze, L. F.","[(1RS,2RS,3SR)-3-Hydroxy-2-methylcyclopentyl]trimethylammonium chloride","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1980","36","12","3206","3208","10.1107/S0567740880011338","","","","","","","","","","","","","","","","","","","","","has coordinates","176910","2020-10-21","18:00:00",""
"1100310","10.298","0.003","9.915","0.002","10.835","0.002","90","","114.62","0.04","90","","1005.73","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H28 O2 Se -","- C22 H28 O2 Se -","- C44 H56 O4 Se2 -","2","1","","Clegg, W.; Harms, K.; Sheldrick, G. M.; von Kiedrowski, G.; Tietze, L. F.","(2S,6aR,10aR)-6,6,9-Trimethyl-1-oxo-2-phenylseleno-1,2,3,4,6a,7,8,9,10,10a-decahydro-6H-dibenzo[b,d]pyran","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1980","36","12","3159","3162","10.1107/S0567740880011144","","","","","","","","","","","","","","","","","","","","","has coordinates","176913","2020-10-21","18:00:00",""