# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-04T07:01:48+02:00
# 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 'Organic Letters') AND volume = 1 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
"1507555","10.546","0.001","12.55","0.001","10.674","0.001","90","","112.15","0.01","90","","1308.5","0.2","299","","299","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H33 N2 O7 P S -","- C23 H33 N2 O7 P S -","- C46 H66 N4 O14 P2 S2 -","2","1","","Amspacher, David R.; Blanchard, Carol Z.; Fronczek, Frank R.; Saraiva, Marcelo C.; Waldrop, Grover L.; Strongin, Robert M.","Synthesis of a Reaction Intermediate Analogue of Biotin-Dependent Carboxylases via a Selective Derivatization of Biotin","Organic Letters","1999","1","1","99","","10.1021/ol990026z","","","1.54184","Cu-Kα","","0.128","0.096","","0.104","0.104","","","","4.756","4.753","4.753","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507556","7.4729","0.0004","12.4337","0.0007","14.4929","0.0009","79.296","0.003","80.363","0.003","75.546","0.003","1270.9","0.13","125","0.1","125","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 N2 O3 -","- C26 H42 N2 O3 -","- C52 H84 N4 O6 -","2","1","","Allen, Annette D.; Cheng, Bernice; Fenwick, Michael H.; Huang, Wen-wei; Missiha, Sharif; Tahmassebi, Daryoush; Tidwell, Thomas T.","Radical Additions of TEMPO to Ketenes: Correlation of Free Radical and Nucleophilic Reactivity","Organic Letters","1999","1","5","693","","10.1021/ol990628i","","","0.71073","MoKα","","0.0734","0.0463","","","0.1231","0.1359","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507557","17.6335","0.0011","11.7727","0.0008","8.5975","0.0005","90","","100.718","0.002","90","","1753.65","0.19","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rel-(1S,2R,3S,6R)-6-Azido-2-bromo-4-cyclohexene-1,3-diol ?","","- C6 H8 Br N3 O2 -","- C6 H8 Br N3 O2 -","- C48 H64 Br8 N24 O16 -","8","2","","Murphy, Sean T.; Bencsik, Josef R.; Johnson, Carl R.","Enantioselective Synthesis of (−)-LL-C10037α from Benzoquinone","Organic Letters","1999","1","9","1483","","10.1021/ol991038n","","","0.71073","MoKα","","0.0988","0.0553","","0.1252","0.1155","","","","0.906","1.149","1.149","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507558","17.4244","0.001","11.7782","0.0006","8.6105","0.0005","90","","92.531","0.001","90","","1765.39","0.17","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rel-(1S,2S,3S,4R,5S,6S)-4-Azido-2-bromo-5,6-epoxycyclohexane-1,3-diol ?","","- C6 H8 Br N3 O3 -","- C6 H8 Br N3 O3 -","- C48 H64 Br8 N24 O24 -","8","2","","Murphy, Sean T.; Bencsik, Josef R.; Johnson, Carl R.","Enantioselective Synthesis of (−)-LL-C10037α from Benzoquinone","Organic Letters","1999","1","9","1483","","10.1021/ol991038n","","","0.71073","MoKα","","0.0562","0.0347","","0.0794","0.0731","","","","0.94","1.027","1.027","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507559","8.36","0.001","8.462","0.001","8.558","0.001","103.18","0.01","105.09","0.01","93.46","0.01","564.51","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Guanidiniocarbonyl-1H-pyrrole acetate hydrate","","- C8 H14 N4 O4 -","- C8 H14 N4 O4 -","- C16 H28 N8 O8 -","2","1","","Schmuck, Carsten; Lex, Johann","Acetate Binding within a Supramolecular Network Formed by a Guanidiniocarbonyl Pyrrole Cation in the Solid State","Organic Letters","1999","1","11","1779","","10.1021/ol9910621","","","0.71073","MoKα","","0.0464","0.0366","","","0.096","0.1027","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:03:04",""