# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-29T19:23:40+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 'Organic Process Research & Development') AND volume = 16 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
"1503630","11.299","0.003","11.299","0.003","30.405","0.008","90","","90","","120","","3361.7","1.5","293","2","293","2","","","","","","","synthesis as described","5","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C35 H46 Br2 N2 O15 -","- C41 H46 Br2 N2 O15 -","- C123 H138 Br6 N6 O45 -","3","0.5","","Gonella, Silvia; Mahieux, Julien; Sanselme, Morgane; Coquerel, Gérard","Spotting a Conglomerate Is Just Halfway to Achieving a Preparative Resolution by Preferential Crystallization","Organic Process Research & Development","2012","16","2","286","","10.1021/op200092f","","x-ray","0.71073","MoKα","","0.0977","0.0503","","","0.1167","0.131","","","","","","0.856","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503631","5.7819","0.0011","9.6587","0.0018","13.317","0.003","79.109","0.003","82.475","0.003","86.782","0.003","723.6","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C28 H32 Cl2 N2 O8 -","- C28 H32 Cl2 N2 O8 -","- C28 H32 Cl2 N2 O8 -","1","1","","Gonella, Silvia; Mahieux, Julien; Sanselme, Morgane; Coquerel, Gérard","Spotting a Conglomerate Is Just Halfway to Achieving a Preparative Resolution by Preferential Crystallization","Organic Process Research & Development","2012","16","2","286","","10.1021/op200092f","","x-ray","0.71073","MoKα","","0.0394","0.0387","","","0.1023","0.1033","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:01:19",""