# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-19T23:18:06+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 'ACS infectious diseases') AND volume = 5 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
"4515176","10.1242","0.0006","13.9473","0.0006","35.3927","0.0017","90","","90","","90","","4997.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","rifampicin methanol trisolvate","","","- C46 H70 N4 O15 -","- C46 H70 N4 O15 -","- C184 H280 N16 O60 -","4","1","","Pyta, Krystian; Janas, Anna; Skrzypczak, Natalia; Schilf, Wojciech; Wicher, Barbara; Gdaniec, Maria; Bartl, Franz; Przybylski, Piotr","Specific Interactions between Rifamycin Antibiotics and Water Influencing Ability To Overcome Natural Cell Barriers and the Range of Antibacterial Potency.","ACS infectious diseases","2019","5","10","1754","1763","10.1021/acsinfecdis.9b00176","","","0.71073","MoKα","","0.1721","0.0455","","","0.0695","0.095","","","","","","0.827","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515177","14.868","0.002","10.1272","0.0015","31.874","0.004","90","","90.165","0.005","90","","4799.3","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H62 N2 O9 Si -","- C53 H62 N2 O9 Si -","- C212 H248 N8 O36 Si4 -","4","2","","Sati, Girish C.; Sarpe, Vikram A.; Furukawa, Takayuki; Mondal, Sujit; Mantovani, Matilde; Hobbie, Sven N.; Vasella, Andrea; Böttger, Erik C; Crich, David","Modification at the 2'-Position of the 4,5-Series of 2-Deoxystreptamine Aminoglycoside Antibiotics To Resist Aminoglycoside Modifying Enzymes and Increase Ribosomal Target Selectivity.","ACS infectious diseases","2019","5","10","1718","1730","10.1021/acsinfecdis.9b00128","","","0.71073","MoKα","","0.0788","0.0495","","","0.0978","0.1122","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:45",""