# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T15:28:29+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'A 1' 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
"4517099","3.9241","0.0002","25.9438","0.0008","24.4694","0.0007","90","","93.228","0.003","90","","2487.18","0.16","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71073","MoKα","","0.1305","0.0576","","","0.0993","0.1224","","","","","","1.074","","","","has coordinates,has disorder","239740","2020-10-21","18:00:00",""
"4517102","3.9264","0.0002","25.9494","0.0006","24.4668","0.0006","90","","93.232","0.002","90","","2488.9","0.15","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71073","MoKα","","0.1085","0.0594","","","0.111","0.1284","","","","","","1.1","","","","has coordinates,has disorder","239740","2020-10-21","18:00:00",""
"4517105","3.9228","0.0002","25.8422","0.0006","24.3992","0.0006","90","","93.242","0.002","90","","2469.48","0.15","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71073","MoKα","","0.1238","0.0807","","","0.1421","0.156","","","","","","1.117","","","","has coordinates,has disorder","239740","2020-10-21","18:00:00",""
"4517108","3.9232","0.0006","25.922","0.002","24.4016","0.0019","90","","93.232","0.012","90","","2477.6","0.5","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","1.54186","CuKα","","0.1173","0.0898","","","0.2356","0.2481","","","","","","1.152","","","","has coordinates,has disorder","239740","2020-10-21","18:00:00",""
"4517111","3.91134","0.00007","25.8622","0.0002","24.361","0.0002","90","","93.2477","0.0017","90","","2460.3","0.05","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71","synchrotron","","0.11","0.0853","","","0.2996","0.3181","","","","","","1.443","","","","has coordinates,has disorder","239740","2020-10-21","18:00:00",""
"4517114","3.9204","0.00011","25.9196","0.0003","24.4008","0.0003","90","","93.2666","0.0012","90","","2475.46","0.08","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71","synchrotron","","0.1062","0.0884","","","0.2593","0.2686","","","","","","1.219","","","","has coordinates,has disorder","239740","2020-10-21","18:00:00",""
"4517117","3.92123","0.00005","25.92522","0.00016","24.41148","0.00017","90","","93.2666","0.0012","90","","2477.61","0.04","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71","synchrotron","","0.1052","0.0917","","","0.2742","0.281","","","","","","1.484","","","","has coordinates,has disorder","239740","2020-10-21","18:00:00",""
"4517120","3.91837","0.00006","25.91518","0.00018","24.41244","0.00018","90","","93.2678","0.0015","90","","2474.94","0.05","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71","synchrotron","","0.1112","0.0859","","","0.2686","0.2836","","","","","","1.185","","","","has coordinates,has disorder","239740","2020-10-21","18:00:00",""
"4517123","3.91748","0.00006","25.90664","0.00017","24.3985","0.00018","90","","93.2528","0.0013","90","","2472.18","0.05","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Orientational Disorder of (trans)-4-Chloro-4′-nitrostilbene: A Detailed Analysis by Single Crystal X-ray Diffraction","Crystal Growth & Design","2010","10","1","52","","10.1021/cg801278j","","","0.71","synchrotron","","0.1147","0.0854","","","0.2587","0.275","","","","","","1.216","","","","has coordinates,has disorder","239740","2020-10-21","18:00:00",""
"7238174","3.9236","0.0003","25.948","0.0008","24.4812","0.0007","90","","93.175","0.003","90","","2488.6","0.2","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1429","0.0709","","","0.129","0.1536","","","","","","0.965","","","","has coordinates,has disorder","244087","2020-10-21","18:00:00",""
"7238177","3.9239","0.0002","25.9466","0.0006","24.4796","0.0006","90","","93.192","0.002","90","","2488.45","0.15","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1071","0.0649","","","0.1053","0.1191","","","","","","1.002","","","","has coordinates,has disorder","244087","2020-10-21","18:00:00",""
"7238186","3.9227","0.0002","25.9528","0.0007","24.507","0.0006","90","","93.2","0.002","90","","2491.05","0.16","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1419","0.0746","","","0.1949","0.2417","","","","","","0.997","","","","has coordinates,has disorder","244087","2020-10-21","18:00:00",""
"7238199","3.9173","0.0001","25.9126","0.0003","24.4686","0.0003","90","0.001","93.151","0.001","90","0.001","2479.99","0.08","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1131","0.0566","","","0.1222","0.1496","","","","","","0.986","","","","has coordinates,has disorder","244087","2020-10-21","18:00:00",""