# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-03-10T02:30:27+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 science') AND volume = 68 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
"2311621","11.43","0.003","11.464","0.004","35.606","0.009","84.421","0.004","87.694","0.004","60.102","0.002","4025","2","123","2","123","2","","","","","","","","4","P 1","P 1","1","","(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C176 H192 N32 O32 -","16","16","","Görbitz, Carl Henrik; Törnroos, Karl Wilhelm; Day, Graeme M.","Single-crystal investigation of L-tryptophan with Z' = 16.","Acta crystallographica. Section B, Structural science","2012","68","Pt 5","549","557","10.1107/S0108768112033484","","","0.71073","MoKα","","0.1","0.0879","","","0.2564","0.2632","","","","","","1.151","","","","has coordinates","301809","2025-08-19","19:04:04",""