# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T14:13:31+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 'Nature Chemistry') AND volume = 11 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
"1551160","16.321","0.003","16.896","0.003","27.357","0.003","107.097","0.008","95.666","0.008","92.215","0.007","7157","2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C142 H129 Au11 Cl9 N2 P7 -","- C142 H129 Au10.988 Cl9 N2 P7 -","- C284 H258 Au21.976 Cl18 N4 P14 -","2","1","","Mina R. Narouz; Kimberly M. Osten; Phillip J. Unsworth; Renee W. Y. Man; Kirsi Salorinne; Shinjiro Takano; Ryohei Tomihara; Sami Kaappa; Sami Malola; Cao-Thang Dinh; J. Daniel Padmos; Kennedy Ayoo; Patrick J. Garrett; Masakazu Nambo; J. Hugh Horton; Edward H. Sargent; Hannu Hakkinen; Tatsuya Tsukuda; Cathleen M. Crudden","N-heterocyclic carbene-functionalized magic-number gold nanoclusters","Nature Chemistry","2019","11","","419","425","10.1038/s41557-019-0246-5","","","0.71075","MoKα","","0.0749","0.0679","","","0.1727","0.1785","","","","","","1.102","","","","has coordinates,has disorder","215549","2020-10-21","18:00:00",""
"1551277","13.1784","0.0016","13.1784","0.0016","9.8668","0.0012","90","","90","","120","","1484","0.3","183","2","183","2","","","","","","","","4","P 32","P 32","145","","","","- C22 H31 Cl O3 -","- C22 H31 Cl O3 -","- C66 H93 Cl3 O9 -","3","1","","Evijola Llabani; Robert W. Hicklin; Hyang Yeon Lee; Stephen E. Motika; Lisa A. Crawford; Eranthie Weerapana; Paul J. Hergenrother","Diverse compounds from pleuromutilin lead to a thioredoxin inhibitor and inducer of ferroptosis","Nature Chemistry","2019","11","","521","532","10.1038/s41557-019-0261-6","","","0.71073","MoKα","","0.0292","0.0273","","","0.0675","0.0689","","","","","","1.031","","","","has coordinates,has Fobs","215756","2020-10-21","18:00:00",""
"1551278","8.5146","0.0003","14.5929","0.0005","24.9839","0.0009","90","","90","","90","","3104.32","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39.9 Cl N4 O7.45 -","- C32 H39.896 Cl N4 O7.448 -","- C128 H159.584 Cl4 N16 O29.792 -","4","1","","Evijola Llabani; Robert W. Hicklin; Hyang Yeon Lee; Stephen E. Motika; Lisa A. Crawford; Eranthie Weerapana; Paul J. Hergenrother","Diverse compounds from pleuromutilin lead to a thioredoxin inhibitor and inducer of ferroptosis","Nature Chemistry","2019","11","","521","532","10.1038/s41557-019-0261-6","","","0.71073","MoKα","","0.0486","0.0434","","","0.1145","0.1176","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","215757","2020-10-21","18:00:00",""
"1551355","7.4858","0.0004","21.374","0.0012","21.5083","0.0013","90","","91.545","0.002","90","","3440.1","0.3","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-3-((S)-5-cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)-2-fluoro- N,N-dimethylpropan-1-aminium (2R,3R)-2,3-bis(benzoyloxy)-3-carboxypropanoate","","- C38 H34 F2 N2 O9 -","- C38 H34 F2 N2 O9 -","- C152 H136 F8 N8 O36 -","4","2","","Pauline Adler; Christopher J. Teskey; Daniel Kaiser; Marion Holy; Harald H. Sitte; Nuno Maulide","Alpha-Fluorination of carbonyls with nucleophilic fluorine","Nature Chemistry","2019","11","","329","334","10.1038/s41557-019-0215-z","","x-ray","0.71073","MoKα","","0.1032","0.0809","","","0.1755","0.1895","","","","","","1.071","","","","has coordinates,has disorder","215873","2020-10-21","18:00:00",""
"1551356","9.2109","0.0004","9.2109","0.0004","76.327","0.003","90","","90","","120","","5608.1","0.4","100","2","100","2","","","","","","","","6","P 65","P 65","170","","","","- C36 H30 Cl2 F12 Mn N4 -","- C36 H30 Cl2 F12 Mn N4 -","- C216 H180 Cl12 F72 Mn6 N24 -","6","1","","Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White","Chemoselective methylene oxidation in aromatic molecules","Nature Chemistry","2019","11","","213","221","10.1038/s41557-018-0175-8","","","1.54178","CuKα","","0.0495","0.0493","","","0.1197","0.1199","","","","","","1.129","","","","has coordinates","215874","2020-10-21","18:00:00",""
"1551357","10.5506","0.0004","10.5506","0.0004","25.221","0.0012","90","","90","","120","","2431.35","0.17","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C24 H32 F12 Mn N6 Sb2 -","- C24 H32 F12 Mn N6 Sb2 -","- C72 H96 F36 Mn3 N18 Sb6 -","3","0.5","","Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White","Chemoselective methylene oxidation in aromatic molecules","Nature Chemistry","2019","11","","213","221","10.1038/s41557-018-0175-8","","","0.71073","MoKα","","0.0214","0.0204","","","0.042","0.0423","","","","","","1.13","","","","has coordinates","215875","2020-10-21","18:00:00",""
"1551358","10.7987","0.0004","9.1936","0.0003","27.3628","0.0011","90","","97.543","0.001","90","","2693.04","0.17","100","2","100","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C27 H32 O7 -","- C27 H32 O7 -","- C108 H128 O28 -","4","1","","Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White","Chemoselective methylene oxidation in aromatic molecules","Nature Chemistry","2019","11","","213","221","10.1038/s41557-018-0175-8","","","1.54178","CuKα","","0.042","0.0413","","","0.1168","0.1175","","","","","","1.074","","","","has coordinates,has disorder","215876","2020-10-21","18:00:00",""
"1551359","10.7688","0.0003","16.7429","0.0004","15.5965","0.0004","90","","101.666","0.0007","90","","2753.97","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H37 O8.5 -","- C29 H37 O8.5 -","- C116 H148 O34 -","4","2","","Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White","Chemoselective methylene oxidation in aromatic molecules","Nature Chemistry","2019","11","","213","221","10.1038/s41557-018-0175-8","","","1.54178","CuKα","","0.0467","0.0438","","","0.1094","0.1122","","","","","","1.096","","","","has coordinates,has disorder","279817","2022-12-09","07:50:21",""