# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-14T11:36:09+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 'The journal of physical chemistry. B') AND volume = 122 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
"1554048","22.184","0.003","9.3308","0.0011","8.3408","0.001","90","","93.793","0.002","90","","1722.7","0.4","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","1","","Yoshida, Jun; Tamura, Syuhei; Hoshino, Keisuke; Yuge, Hidetaka; Sato, Hisako; Yamazaki, Akane; Yoneda, Shigetaka; Watanabe, Go","Comprehensive Understanding of Host- and Guest-Dependent Helix Inversion in Chiral Nematic Liquid Crystals: Experimental and Molecular Dynamics Simulation Study.","The journal of physical chemistry. B","2018","122","46","10615","10626","10.1021/acs.jpcb.8b07653","","","0.71073","MoKα","","0.0765","0.0434","","","0.1208","0.145","","","","","","0.894","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554049","8.3747","0.0007","7.8561","0.0006","14.2286","0.0012","90","","100.751","0.001","90","","919.7","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H18 Br O6 Ru -","- C17 H18 Br O6 Ru -","- C34 H36 Br2 O12 Ru2 -","2","1","","Yoshida, Jun; Tamura, Syuhei; Hoshino, Keisuke; Yuge, Hidetaka; Sato, Hisako; Yamazaki, Akane; Yoneda, Shigetaka; Watanabe, Go","Comprehensive Understanding of Host- and Guest-Dependent Helix Inversion in Chiral Nematic Liquid Crystals: Experimental and Molecular Dynamics Simulation Study.","The journal of physical chemistry. B","2018","122","46","10615","10626","10.1021/acs.jpcb.8b07653","","","0.71073","MoKα","","0.0212","0.0199","","","0.0455","0.0459","","","","","","0.826","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554050","5.0746","0.0004","22.6735","0.0013","9.7382","0.0006","90","","91.266","0.006","90","","1120.19","0.13","223","","223","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 F2 Li N O6 S3 -","- C4 H8 F2 Li N O6 S3 -","- C16 H32 F8 Li4 N4 O24 S12 -","4","1","","Dokko, Kaoru; Watanabe, Daiki; Ugata, Yosuke; Thomas, Morgan L.; Tsuzuki, Seiji; Shinoda, Wataru; Hashimoto, Kei; Ueno, Kazuhide; Umebayashi, Yasuhiro; Watanabe, Masayoshi","Direct Evidence for Li Ion Hopping Conduction in Highly Concentrated Sulfolane-Based Liquid Electrolytes.","The journal of physical chemistry. B","2018","122","47","10736","10745","10.1021/acs.jpcb.8b09439","","x-ray","0.71073","MoKα","","0.0935","0.0523","","","0.1374","0.1627","","","","","","0.954","","","","has coordinates","236498","2020-10-21","18:00:00",""
"1554051","5.156","0.0011","8.8536","0.0017","18.337","0.003","90","","90","","90","","837.1","0.3","223","","223","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C4 H8 B F4 Li O2 S -","- C4 H8 B F4 Li O2 S -","- C16 H32 B4 F16 Li4 O8 S4 -","4","1","","Dokko, Kaoru; Watanabe, Daiki; Ugata, Yosuke; Thomas, Morgan L.; Tsuzuki, Seiji; Shinoda, Wataru; Hashimoto, Kei; Ueno, Kazuhide; Umebayashi, Yasuhiro; Watanabe, Masayoshi","Direct Evidence for Li Ion Hopping Conduction in Highly Concentrated Sulfolane-Based Liquid Electrolytes.","The journal of physical chemistry. B","2018","122","47","10736","10745","10.1021/acs.jpcb.8b09439","","x-ray","0.71073","MoKα","","0.0529","0.0447","","","0.1128","0.1177","","","","","","0.88","","","","has coordinates","236500","2020-10-21","18:00:00",""
"1554052","8.7664","0.0013","8.5519","0.0019","19.416","0.005","90","","94.157","0.016","90","","1451.8","0.5","223","","223","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 Cl Li O10 S -","- C6.4 H12.8 Cl0.8 Li0.8 O6.4 S1.6 -","- C32 H64 Cl4 Li4 O32 S8 -","5","1.25","","Dokko, Kaoru; Watanabe, Daiki; Ugata, Yosuke; Thomas, Morgan L.; Tsuzuki, Seiji; Shinoda, Wataru; Hashimoto, Kei; Ueno, Kazuhide; Umebayashi, Yasuhiro; Watanabe, Masayoshi","Direct Evidence for Li Ion Hopping Conduction in Highly Concentrated Sulfolane-Based Liquid Electrolytes.","The journal of physical chemistry. B","2018","122","47","10736","10745","10.1021/acs.jpcb.8b09439","","","0.71073","MoKα","","0.205","0.084","","","0.1761","0.2298","","","","","","1.01","","","","has coordinates","236502","2020-10-21","18:00:00",""