# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T03:57:47+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 'Acta Crystallographica, Section C: Crystal Structure Communications') AND volume = 44 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
"2000002","7.295","0.003","14.926","0.008","15.16","0.006","90","","90","","90","","1650.7","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(-)-(6'R)-3',6'-Epoxyaurapten","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","1","","Leblanc, M.; Ferey, G.; Rouessac, F.; Aziz, M.","Structure of (-)-(6'R)-3',6'-epoxyaurapten","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","7","1262","1264","10.1107/S0108270188003403","","","","","","","0.035","","","0.035","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000057","12.223","0.008","14.52","0.01","10.229","0.007","90","","100.47","0.05","90","","1785.2","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 N3 O15 P3 -","- C6 H18 N3 O15 P3 -","- C24 H72 N12 O60 P12 -","4","1","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structures of glycine monophosphate and glycine cyclo-triphosphate","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","1","99","102","10.1107/s0108270187008539","","","","","","","0.03","","","0.03","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000058","12.144","0.007","15.361","0.005","7.203","0.007","90","","97.32","0.08","90","","1332.72","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H18 N3 O9 P3 -","- C3 H18 N3 O9 P3 -","- C12 H72 N12 O36 P12 -","4","1","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structure of tris(methylammonium) cyclo-triphosphate","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","1","97","98","10.1107/s0108270187008515","","","","","","","0.024","","","0.024","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000060","7.988","0.005","8.449","0.005","9.739","0.005","111.64","0.05","105.27","0.05","99.4","0.05","563.986","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H24 N4 O20 P4 -","- C8 H24 N4 O20 P4 -","- C8 H24 N4 O20 P4 -","1","0.5","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structure of glycine cyclo-tetraphosphate","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","5","888","890","10.1107/s0108270188000496","","","","","","","0.025","","","0.025","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000061","10.941","0.009","21.46","0.02","14.53","0.01","90","","90","","90","","3411.55","","","","","","","","","","","","","4","C 2 c b","C -2ac 2","41","","","","- C38 H40 N4 O4 -","- C76 H56 N8 O8 -","- C304 H224 N32 O32 -","4","","","Baret, P.; Moneta, W.; Pierre, J. L.; Averbuch-Pouchot, M. T.; Durif, A.","Structure of a Schiff-base macrocycle containing convergent methoxy groups","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","7","1254","1256","10.1107/s0108270188003592","","","","","","","0.055","","","0.055","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000062","14.611","0.003","18.709","0.003","7.861","0.002","90","","90","","90","","2148.86","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2 H25 Ca N2 O19.5 P4 -","- C4 H36 Ca N4 O33 P8 -","- C16 H144 Ca4 N16 O132 P32 -","4","0.5","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structure of a calcium ethylenediammonium cyclotetraphosphate hydrate","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","7","1189","1191","10.1107/s0108270188003622","","","","","","","0.031","","","0.031","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000063","10.746","0.008","10.746","0.008","10.071","0.008","90","","90","","90","","1162.96","","","","","","","","","","","","","5","I -4","I -4","82","","","","- C8 H32 N4 O16 P4 -","- C8 H32 N4 O52 P16 -","- C16 H64 N8 O104 P32 -","2","0.25","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structure of ethanolammonium cyclo-tetraphosphate","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","8","1416","1418","10.1107/s0108270188003981","","","","","","","0.034","","","0.034","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000064","25.22","0.02","12.22","0.02","15.45","0.02","90","","123.9","0.05","90","","3952.11","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9 H30 N3 O9 P3 -","- C9 H30 N3 O9 P3 -","- C72 H240 N24 O72 P24 -","8","2","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structure of isopropylammonium cyclo-triphosphate","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","11","1907","1909","10.1107/S0108270188008510","","","","","","","0.039","","","0.039","","","","","","","","","","","has coordinates","199646","2020-10-21","18:00:00",""
"2000065","20.85","0.008","9.044","0.004","11.653","0.005","90","","90","","90","","2197.38","","","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C2 H10 K N2 O9 P3 -","- C4 H20 K N4 O17 P5 -","- C32 H160 K8 N32 O136 P40 -","8","0.5","","Averbuch-Pouchot, M. T.; Durif, A.","Structure of potassium ethylenediammonium cyclo-triphosphate","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","11","1909","1911","10.1107/s0108270188008522","","","","","","","0.038","","","0.038","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000066","9.58","0.002","7.84","0.002","9.249","0.003","90","","114.7","0.2","90","","631.11","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 N O6 P -","- C2 H8 N O6 P -","- C8 H32 N4 O24 P4 -","4","1","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structures of glycine monophosphate and glycine cyclo-triphosphate","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","1","99","102","10.1107/s0108270187008539","","","","","","","0.024","","","0.024","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000079","16.115","0.02","5.829","0.002","8.019","0.005","90","","93.3","0.06","90","","752.01","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H10 N O6 P -","- C3 H10 N O6 P -","- C12 H40 N4 O24 P4 -","4","1","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structures of β-alanine, DL-alanine and sarcosine monophosphates","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","11","1968","1972","10.1107/s0108270188000502","","","","","","","0.038","","","0.038","","","","","","","","","","","has coordinates","199750","2020-10-21","18:00:00",""
"2000080","14.442","0.007","10.352","0.006","9.062","0.004","90","","119.08","0.04","90","","1184.02","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H17 N2 O8 P -","- C6 H20 N2 O12 P -","- C24 H80 N8 O48 P4 -","4","0.5","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structures of β-alanine, DL-alanine and sarcosine monophosphates","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","11","1968","1972","10.1107/s0108270188000502","","","","","","","0.032","","","0.032","","","","","","","","","","","has coordinates","199750","2020-10-21","18:00:00",""
"2000081","13.18","0.008","9.275","0.003","6.245","0.002","90","","90","","90","","763.417","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H10 N O6 P -","- C3 H10 N O6 P -","- C12 H40 N4 O24 P4 -","4","1","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structures of β-alanine, DL-alanine and sarcosine monophosphates","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","11","1968","1972","10.1107/s0108270188000502","","","","","","","0.023","","","0.023","","","","","","","","","","","has coordinates","199750","2020-10-21","18:00:00",""
"2020187","9.096","","9.991","","16.87","","99.16","","97.55","","98.38","","1478.53","","","","","","","","","","","","","5","P -1","-P 1","2","","Fe3 (C O)9 (Ge (Re (C O)5))2","","- C19 Fe3 Ge2 O19 Re2 -","- C19 Fe3 Ge2 O19 Re2 -","- C38 Fe6 Ge4 O38 Re4 -","2","1","","Haupt, H. J.; Flörke, U.","Nonacarbonylbis{μ~3~-[(pentacarbonylrhenio)germanio(IV)]-Ge} -triangulo-triiron(Fe‒Fe)","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","3","472","474","10.1107/s0108270187011818","","","","","","","","","","","","","","","","","","","","","has coordinates","202192","2020-10-21","18:00:00",""