# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T13:42:39+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 'Beilstein journal of organic chemistry') AND volume = 6 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
"4029734","19.6672","0.0013","16.8432","0.0012","10.2146","0.0006","90","","101.481","0.004","90","","3316","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H47 Cl5 P Ru2 -","- C28 H47 Cl5 P Ru2 -","- C112 H188 Cl20 P4 Ru8 -","4","1","","Borguet, Yannick; Sauvage, Xavier; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Tandem catalysis of ring-closing metathesis/atom transfer radical reactions with homobimetallic ruthenium-arene complexes.","Beilstein journal of organic chemistry","2010","6","","1167","1173","10.3762/bjoc.6.133","","x-ray","0.7107","MoKα","","0.0536","0.0327","","","0.056","0.0621","","","","","","1.049","","","","has coordinates,has disorder","178476","2020-10-21","18:00:00",""
"4029741","11.0884","0.001","7.3529","0.0009","10.3794","0.0014","90","","105.071","0.01","90","","817.14","0.17","100.15","","100","","","","","","","","Synthesized by Author","6","P 1 21/c 1","-P 2ybc","14","","Sodium Morpholinomethanesulfonate","","- C5 H10 N Na O4 S -","- C5 H10 N Na O4 S -","- C20 H40 N4 Na4 O16 S4 -","4","1","","Long, Robert D.; Hilliard, Newton P.; Chhatre, Suneel A.; Timofeeva, Tatiana V.; Yakovenko, Andrey A.; Dei, Daniel K.; Mensah, Enoch A.","Comparison of zwitterionic N-alkylaminomethanesulfonic acids to related compounds in the Good buffer series.","Beilstein journal of organic chemistry","2010","6","","31","","10.3762/bjoc.6.31","","","1.5418","CuKα","","0.0318","0.0266","","0.0344","0.0303","0.0303","","","","","","1.0282","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029746","5.7353","0.0005","8.6076","0.0007","10.9633","0.0009","75.05","0.001","74.959","0.001","79.491","0.001","501.11","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","HEPMS","N-(2-Hydroxyethyl)piperazine-N'-methanesulfonic acid","","- C7 H16 N2 O4 S -","- C7 H16 N2 O4 S -","- C14 H32 N4 O8 S2 -","2","1","","Long, Robert D.; Hilliard, Newton P.; Chhatre, Suneel A.; Timofeeva, Tatiana V.; Yakovenko, Andrey A.; Dei, Daniel K.; Mensah, Enoch A.","Comparison of zwitterionic N-alkylaminomethanesulfonic acids to related compounds in the Good buffer series.","Beilstein journal of organic chemistry","2010","6","","31","","10.3762/bjoc.6.31","","","0.71073","MoKα","","0.038","0.0325","","","0.078","0.0815","","","","","","1.002","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029751","7.5928","0.0008","20.9792","0.0011","15.9792","0.0013","90","","94.236","0.008","90","","2538.4","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10.5 H3 Br2 Cl O2 S2 -","- C10.5 H3 Br2 Cl O2 S2 -","- C84 H24 Br16 Cl8 O16 S16 -","8","2","","Meyer, Annemarie; Sigmund, Eva; Luppertz, Friedhelm; Schnakenburg, Gregor; Gadaczek, Immanuel; Bredow, Thomas; Jester, Stefan-S; Höger, Sigurd","Syntheses and properties of thienyl-substituted dithienophenazines.","Beilstein journal of organic chemistry","2010","6","","1180","1187","10.3762/bjoc.6.135","","","0.71073","MoKα","","0.1545","0.0672","","","0.1211","0.1478","","","","","","0.895","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029752","8.9233","0.0004","14.8008","0.0008","6.6258","0.0002","90","","102.935","0.003","90","","852.88","0.07","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 O2 S2 -","- C10 H4 O2 S2 -","- C40 H16 O8 S8 -","4","1","","Meyer, Annemarie; Sigmund, Eva; Luppertz, Friedhelm; Schnakenburg, Gregor; Gadaczek, Immanuel; Bredow, Thomas; Jester, Stefan-S; Höger, Sigurd","Syntheses and properties of thienyl-substituted dithienophenazines.","Beilstein journal of organic chemistry","2010","6","","1180","1187","10.3762/bjoc.6.135","","","0.71073","MoKα","","0.0376","0.0272","","","0.0699","0.0736","","","","","","1.044","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029757","9.1096","0.0003","13.0878","0.0005","14.0139","0.0006","93.832","0.002","101.26","0.002","104.981","0.002","1570.77","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N2 O6 S4 -","- C30 H32 N2 O6 S4 -","- C60 H64 N4 O12 S8 -","2","1","","Wang, Hong-Bo; Wisner, James A.; Jennings, Michael C.","Anion receptors containing thiazine-1,1-dioxide heterocycles as hydrogen bond donors.","Beilstein journal of organic chemistry","2010","6","","50","","10.3762/bjoc.6.50","","","0.71073","MoKα","","0.0703","0.0466","","","0.1206","0.1317","","","","","","1.082","","","","has coordinates,has disorder","178476","2020-10-21","18:00:00",""
"4029761","10.6274","0.0005","10.8445","0.0007","14.7918","0.0011","86.69","0.003","87.617","0.003","81.397","0.003","1681.81","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H37 N3 O7 S5 -","- C31 H37 N3 O7 S5 -","- C62 H74 N6 O14 S10 -","2","1","","Wang, Hong-Bo; Wisner, James A.; Jennings, Michael C.","Anion receptors containing thiazine-1,1-dioxide heterocycles as hydrogen bond donors.","Beilstein journal of organic chemistry","2010","6","","50","","10.3762/bjoc.6.50","","","0.71073","MoKα","","0.0787","0.048","","","0.1068","0.1203","","","","","","1.037","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029766","10.243","0.004","5.633","0.002","15.676","0.006","90","","94.912","0.005","90","","901.2","0.6","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C14 H16 F12 O4 -","- C14 H16 F12 O4 -","- C28 H32 F24 O8 -","2","0.5","","Petrov, Viacheslav A.; Marshall, Will","Acid catalyzed cyclodimerization of 2,2-bis(trifluoromethyl)-4-alkoxy-oxetanes and -thietanes. Synthesis of 2,2,6,6-tetrakis(trifluoromethyl)-4,8-dialkoxy-1,5-dioxocanes and 3,3,7,7-tetrakis(trifluoromethyl)-9-oxa-2,6-dithia-bicyclo[3.3.1]nonane.","Beilstein journal of organic chemistry","2010","6","","46","","10.3762/bjoc.6.46","","","0.71073","MoKα","","0.0493","0.0349","","","0.0847","0.0927","","","","","","1.043","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029767","5.564","0.002","9.647","0.004","9.926","0.004","100.015","0.006","105.203","0.006","92.977","0.006","503.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 F12 O4 -","- C16 H20 F12 O4 -","- C16 H20 F12 O4 -","1","0.5","","Petrov, Viacheslav A.; Marshall, Will","Acid catalyzed cyclodimerization of 2,2-bis(trifluoromethyl)-4-alkoxy-oxetanes and -thietanes. Synthesis of 2,2,6,6-tetrakis(trifluoromethyl)-4,8-dialkoxy-1,5-dioxocanes and 3,3,7,7-tetrakis(trifluoromethyl)-9-oxa-2,6-dithia-bicyclo[3.3.1]nonane.","Beilstein journal of organic chemistry","2010","6","","46","","10.3762/bjoc.6.46","","","0.71073","MoKα","","0.1011","0.0501","","","0.1057","0.1263","","","","","","0.965","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029768","10.1499","0.0012","10.1499","0.0012","22.75","0.005","90","","90","","90","","2343.7","0.6","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C9 H12 F6 N0 O2 -","- C9 H12 F6 O2 -","- C72 H96 F48 O16 -","8","1","","Petrov, Viacheslav A.; Marshall, Will","Acid catalyzed cyclodimerization of 2,2-bis(trifluoromethyl)-4-alkoxy-oxetanes and -thietanes. Synthesis of 2,2,6,6-tetrakis(trifluoromethyl)-4,8-dialkoxy-1,5-dioxocanes and 3,3,7,7-tetrakis(trifluoromethyl)-9-oxa-2,6-dithia-bicyclo[3.3.1]nonane.","Beilstein journal of organic chemistry","2010","6","","46","","10.3762/bjoc.6.46","","","0.71073","MoKα","","0.0303","0.0268","","","0.0665","0.0686","","","","","","1.057","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029769","21.271","0.006","25.685","0.007","10.563","0.003","90","","90","","90","","5771","3","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C10 H6 F12 O S2 -","- C10 H6 F12 O S2 -","- C160 H96 F192 O16 S32 -","16","1","","Petrov, Viacheslav A.; Marshall, Will","Acid catalyzed cyclodimerization of 2,2-bis(trifluoromethyl)-4-alkoxy-oxetanes and -thietanes. Synthesis of 2,2,6,6-tetrakis(trifluoromethyl)-4,8-dialkoxy-1,5-dioxocanes and 3,3,7,7-tetrakis(trifluoromethyl)-9-oxa-2,6-dithia-bicyclo[3.3.1]nonane.","Beilstein journal of organic chemistry","2010","6","","46","","10.3762/bjoc.6.46","","","0.71073","MoKα","","0.0402","0.0308","","","0.0745","0.0825","","","","","","1.044","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029775","6.6454","0.0003","17.9624","0.0009","9.3062","0.0004","90","","98.981","0.004","90","","1097.24","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H31 N O4 -","- C24 H31 N O4 -","- C48 H62 N2 O8 -","2","1","","Adalder, Tapas Kumar; Adarsh, N. N.; Sankolli, Ravish; Dastidar, Parthasarathi","Chiral gels derived from secondary ammonium salts of (1R,3S)-(+)-camphoric acid.","Beilstein journal of organic chemistry","2010","6","","848","858","10.3762/bjoc.6.100","","","0.71073","MoKα","","0.0845","0.0462","","","0.1039","0.1153","","","","","","0.923","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029778","8.6977","0.0009","12.5877","0.0013","18.8825","0.0019","90","","90","","90","","2067.3","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H33 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Adalder, Tapas Kumar; Adarsh, N. N.; Sankolli, Ravish; Dastidar, Parthasarathi","Chiral gels derived from secondary ammonium salts of (1R,3S)-(+)-camphoric acid.","Beilstein journal of organic chemistry","2010","6","","848","858","10.3762/bjoc.6.100","","","0.71073","MoKα","","0.082","0.0724","","","0.2043","0.223","","","","","","1.09","","","","has coordinates,has disorder","178476","2020-10-21","18:00:00",""
"4029781","12.2424","0.0015","17.278","0.002","16.726","0.0019","90","","98.199","0.002","90","","3501.8","0.7","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H62 N2 O4 -","- C34 H62 N2 O4 -","- C136 H248 N8 O16 -","4","2","","Adalder, Tapas Kumar; Adarsh, N. N.; Sankolli, Ravish; Dastidar, Parthasarathi","Chiral gels derived from secondary ammonium salts of (1R,3S)-(+)-camphoric acid.","Beilstein journal of organic chemistry","2010","6","","848","858","10.3762/bjoc.6.100","","","0.71073","MoKα","","0.1194","0.1042","","","0.2406","0.2529","","","","","","1.219","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029783","8.3106","0.0011","16.12","0.002","16.9678","0.0018","90","","90","","90","","2273.1","0.5","200","","200","","","","","","","","","5","P b c 21","P 2c -2b","29","","","","- C25 H33 B F3 N -","- C25 H33 B F3 N -","- C100 H132 B4 F12 N4 -","4","1","","Monot, Julien; Fensterbank, Louis; Malacria, Max; Lacôte, Emmanuel; Geib, Steven J.; Curran, Dennis P.","CAAC Boranes. Synthesis and characterization of cyclic (alkyl) (amino) carbene borane complexes from BF₃ and BH₃.","Beilstein journal of organic chemistry","2010","6","","709","712","10.3762/bjoc.6.82","","","0.71073","MoKα","","0.0867","0.0466","","0.1161","0.1007","0.1157","","","","","","0.9218","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029785","8.0309","0.0017","14.995","0.003","9.5461","0.0019","90","","106.162","0.004","90","","1104.1","0.4","203","2","203","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C23 H35 B F3 N -","- C23 H35 B F3 N -","- C46 H70 B2 F6 N2 -","2","0.5","","Monot, Julien; Fensterbank, Louis; Malacria, Max; Lacôte, Emmanuel; Geib, Steven J.; Curran, Dennis P.","CAAC Boranes. Synthesis and characterization of cyclic (alkyl) (amino) carbene borane complexes from BF₃ and BH₃.","Beilstein journal of organic chemistry","2010","6","","709","712","10.3762/bjoc.6.82","","","0.71073","MoKα","","0.0889","0.0647","","","0.1772","0.188","","","","","","1.363","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029787","29.889","0.003","5.2454","0.0005","31.439","0.003","90","","96.584","0.005","90","","4896.5","0.8","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C56 H48 N4 O12 -","- C56 H48 N4 O12 -","- C224 H192 N16 O48 -","4","1","","Castilla, Ana Maria; Morgan Conn, M.; Ballester, Pablo","Synthesis and binding studies of two new macrocyclic receptors for the stereoselective recognition of dipeptides.","Beilstein journal of organic chemistry","2010","6","","5","","10.3762/bjoc.6.5","","","0.71073","MoKα","","0.1867","0.0943","","","0.2314","0.2944","","","","","","1.038","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029789","8.28","0.0003","9.8354","0.0005","10.7554","0.0004","90","","90","","90","","875.89","0.06","123","2","123","2","","","","","","","synthesis as described","5","P 21 a b","P -2b 2a","29","","","","- C6 H7 Cl I N -","- C6 H7 Cl I N -","- C24 H28 Cl4 I4 N4 -","4","1","","Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari","The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts.","Beilstein journal of organic chemistry","2010","6","","4","","10.3762/bjoc.6.4","","x-ray","0.71073","MoKα","","0.0209","0.0182","","","0.0328","0.0335","","","","","","1.045","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029790","10.065","0.0004","10.9183","0.0003","12.6269","0.0004","100.866","0.002","106.743","0.002","95.177","0.002","1289.45","0.08","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C6 H7 Br I N -","- C6 H7 Br I N -","- C36 H42 Br6 I6 N6 -","6","3","","Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari","The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts.","Beilstein journal of organic chemistry","2010","6","","4","","10.3762/bjoc.6.4","","x-ray","0.71073","MoKα","","0.0688","0.0543","","","0.1295","0.1374","","","","","","1.058","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029791","7.8119","0.0001","9.8242","0.0002","25.8681","0.0005","90","","90","","90","","1985.26","0.06","123","2","123","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","","","- C6 H9 I N O4 P -","- C6 H9 I N O4 P -","- C48 H72 I8 N8 O32 P8 -","8","1","","Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari","The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts.","Beilstein journal of organic chemistry","2010","6","","4","","10.3762/bjoc.6.4","","x-ray","0.71073","MoKα","","0.025","0.0228","","","0.0499","0.0509","","","","","","1.151","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029792","7.8654","0.0002","9.6441","0.0003","25.0515","0.0004","90","","90","","90","","1900.27","0.08","123","2","123","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","","","- C6 H9 Cl N O4 P -","- C6 H9 Cl N O4 P -","- C48 H72 Cl8 N8 O32 P8 -","8","1","","Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari","The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts.","Beilstein journal of organic chemistry","2010","6","","4","","10.3762/bjoc.6.4","","x-ray","0.71073","MoKα","","0.045","0.036","","","0.0857","0.0897","","","","","","1.056","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029793","8.1841","0.0001","16.9194","0.0002","20.4094","0.0003","90","","94.603","0.0007","90","","2816.98","0.06","123","2","123","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl I N O -","- C13 H15 Cl I N O -","- C104 H120 Cl8 I8 N8 O8 -","8","2","","Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari","The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts.","Beilstein journal of organic chemistry","2010","6","","4","","10.3762/bjoc.6.4","","x-ray","0.71073","MoKα","","0.0425","0.0332","","","0.0648","0.0679","","","","","","1.038","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029794","8.1913","0.0001","11.4208","0.0002","17.9429","0.0003","80.027","0.001","78.217","0.001","76.302","0.001","1582.66","0.04","123","2","123","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C5.5 H6.5 Cl I N O0.25 -","- C5.5 H6.5 Cl I N O0.25 -","- C44 H52 Cl8 I8 N8 O2 -","8","4","","Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari","The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts.","Beilstein journal of organic chemistry","2010","6","","4","","10.3762/bjoc.6.4","","x-ray","0.71073","MoKα","","0.0442","0.0326","","","0.0667","0.0722","","","","","","1.022","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029795","8.1247","0.0002","8.4128","0.0002","11.7526","0.0003","87.9511","0.0016","73.0323","0.0019","62.9872","0.0016","680.09","0.03","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C13 H9 I N2 O6 -","- C13 H9 I N2 O6 -","- C26 H18 I2 N4 O12 -","2","1","","Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari","The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts.","Beilstein journal of organic chemistry","2010","6","","4","","10.3762/bjoc.6.4","","x-ray","0.71073","MoKα","","0.025","0.0228","","","0.0496","0.0504","","","","","","1.071","","","","has coordinates","178476","2020-10-21","18:00:00",""