# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T09:17:38+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 21/n' 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
"1100203","6.866","0.001","9.388","0.001","11.243","0.001","90","","103.31","0.01","90","","705.235","","","","202.15","","","","","","","","","5","P 21/n","","14","","Aminotrimethylphosphonium chloride","","- C3 H11 Cl N P -","","","4","","","Chitsaz, S.; Folkerts, H.; Grebe, J.; Gröb, T.; Harms, K.; Hiller, W.; Krieger, M.; Massa, W.; Merle, J.; Möhlen, M.; Neumüller, B.; Dehnicke, K.","Die Kristallstrukturen einer Serie von Verbindungen mit Kationen des Typs [R~3~PNH~2~]^+^, [R3PN(H)SiMe~3~]^+^ und [R3PN(SiMe~3~)~2~]^+^","Zeitschrift für Anorganische und Allgemeine Chemie","2000","626","3","775","783","10.1002/(sici)1521-3749(200003)626:3<775::aid-zaac775>3.0.co;2-h","","","","","","","2.39","","","2.39","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1100291","8.445","0.001","11.02","0.001","13.504","0.001","90","","92.58","0.01","90","","1255.46","","","","","","","","","","","","","5","P 21/n","","14","","","","- C18 H42 Cl2 Mg2 N4 -","","","2","","","Marsch, Michael; Harms, Klaus; Massa, Werner; Boche, Gernot","Crystal Structure of the η^1^-Allyl-Grignard Compound Bis(allylmagnesium chloride-TMEDA)","Angewandte Chemie, International Edition in English","1987","26","7","696","697","10.1002/anie.198706961","","","","","","","","","","","","","","","","","","","","","","176973","2020-10-21","18:00:00",""
"1100308","11.907","0.003","8.094","0.002","14.868","0.005","90","","90.03","0.05","90","","1432.91","","","","","","","","","","","","","3","P 21/n","","14","","","","- C16 H24 O2 -","","","4","","","Tietze, Lutz-F.; von Kiedrowski, Günter; Harms, Klaus; Clegg, William; Sheldrick, George","Stereocontrolled Intramolecular Diels-Alder Reaction of Heterodienes; Studies on the Synthesis of Cannabinoids","Angewandte Chemie, International Edition in English","1980","19","2","134","135","10.1002/anie.198001341","","","","","","","","","","","","","","","","","","","","","","176971","2020-10-21","18:00:00",""
"1100345","8.894","0.003","19.972","0.002","13.046","0.004","90","","101.34","0.01","90","","2272.13","","","","","","","","","","","","","7","P 21/n","","14","","","","- C21 H31 F Li N3 O2 S -","","","4","","","Bosold, Ferdinand; Zulauf, Peter; Marsch, Michael; Harms, Klaus; Lohrenz, John; Boche, Gernot","[3-Bromo-2-lithio-1-phenylsulfonylbenzofuran Diisopropyl Ether]~2~ and 3-Fluoro-2-lithio-1-phenyl-sulfonylbenzene · Pentamethyldiethylenetriamine: Crystal Structures of Compounds with Lithium and Halogen on Neighboring Carbon Atoms","Angewandte Chemie, International Edition in English","1991","30","11","1455","1457","10.1002/anie.199114551","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1543051","11.58792","0.00019","12.2101","0.0002","5.25364","0.0001","90","","90.5649","0.0007","90","","743.3","0.02","293","2","293","2","","","","","","","","3","P 21/n","-P 2yn","14","cis-inositol","cis-1,2,3,4,5,6-cyclohexanehexol","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","","","Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco","On the correlation between hydrogen bonding and melting points in the inositols","IUCrJ","2013","1","1","61","73","10.1107/s2052252513026511","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.351","","","","","","","has coordinates,has Fobs","181978","2020-10-21","18:00:00",""
"2100577","10.4105","0.0003","13.1294","0.0005","8.6735","0.0003","90","","98.222","0.002","90","","1173.34","0.07","293","","293","","","","","","","","","4","P 21/n","-P 2yn","14","1,3,5-tris(2-hydroxyethyl)cyanuric acid","1,3,5-tris(2-hydroxyethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione","","- C9 H15 N3 O6 -","- C9 H15 N3 O6 -","- C36 H60 N12 O24 -","4","","BM5031","Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C.","Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives","Acta Crystallographica, Section B","2006","62","2","864","874","10.1107/S0108768106020921","","","1.54056","CuKα~1~","","","","","","","","","","1.475","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"4100449","13.6063","0.0015","15.7331","0.001","19.9643","0.0018","90","","102.34","0.012","90","","4175","0.7","180","2","180","2","","","","","","","","6","P 21/n","-P 2yn","14","","","","- C48 H45 N2 O2 P3 Ru -","- C48 H45 N2 O2 P3 Ru -","- C192 H180 N8 O8 P12 Ru4 -","4","","","Lavigne, G.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","34330","2020-10-21","18:00:00",""