# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-19T11:33:18+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 'Bioorganic & Medicinal Chemistry') 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
"1100259","10.8874","0.0007","11.2061","0.0009","14.4504","0.0012","90","","108.246","0.007","90","","1674.38","","","","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R)-2-(5-Pyrimidinyl)-8-azoniabicyclo(3.2.1)oct-2-ene oxalate 2-propanol solvate","","- C16 H23 N3 O5 -","- C16.5 H23.5 N3 O5.5 -","- C66 H94 N12 O22 -","4","2","","Gündisch, Daniela; Harms, Klaus; Schwarz, Simone; Seitz, Gunther; Stubbs, Milton T.; Wegge, Thomas","Synthesis and evaluation of diazine containing bioisosteres of (‒)-ferruginine as ligands for nicotinic acetylcholine receptors","Bioorganic & Medicinal Chemistry","2001","9","10","2683","2691","10.1016/s0968-0896(01)00188-2","","","","","","","5.62","","","5.62","","","","","","","","","","","has coordinates","178074","2020-10-21","18:00:00",""
"1561216","11.0762","0.0003","8.762","0.0002","11.511","0.0003","90","","92.557","0.001","90","","1116.03","0.05","193","2","193","2","","","","","","","chemical synthesis","3","P 1 21 1","P 2yb","4","12-epi-Salvinorin A","(2<i>R</i>,4a<i>R</i>,6a<i>R</i>,7<i>R</i>,9<i>S</i>,10a<i>S</i>,10b<i>R</i>)- Methyl 9-Acetoxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxododecahydro- 1<i>H</i>-benzo[<i>f</i>]isochromene-7-carboxylate","","- C23 H28 O8 -","- C23 H28 O8 -","- C46 H56 O16 -","2","1","","Béguin, Cécile; Duncan, Katharine K.; Munro, Thomas A.; Ho, Douglas M.; Xu, Wei; Liu-Chen, Lee-Yuan; Carlezon, William A.; Cohen, Bruce M.","Modification of the furan ring of salvinorin A: Identification of a selective partial agonist at the kappa opioid receptor","Bioorganic & Medicinal Chemistry","2009","17","3","1370","1380","10.1016/j.bmc.2008.12.012","","","0.71073","MoKα","","0.0406","0.0365","","","0.0963","0.0998","","","","","","1.024","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:33",""