# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T12:33:32+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 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
"2101232","23.725","0.001","23.725","0.001","7.935","0.001","90","","90","","120","","3868","0.5","","","","","","","","","","","","3","P 6","P 6","","","","","- C21 H39 O18 -","- C31 H67 O26 -","- C186 H402 O156 -","6","1","LI0167","Le Bas, G.; Mason, S. A.","Neutron diffraction structure of α-cyclodextrin cyclopentanone hydrate at 20 K: host‒guest interactive disorder","Acta Crystallographica Section B","1994","50","6","717","724","10.1107/S0108768194003976","","neutron","1.3177","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2232341","12.8617","0.0012","12.8617","0.0012","6.2122","0.0009","90","","90","","120","","889.96","0.17","120","2","120","2","","","","","","","","5","P 6","P 6","168","","<i>fac</i>-Tris(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)cobalt(III)","","- C18 H12 Co N3 O6 -","- C18 H12 Co N3 O6 -","- C36 H24 Co2 N6 O12 -","2","0.333333","HY2479","Golenia, Irina A.; Boyko, Alexander N.; Kotova, Natalia V.; Haukka, Matti; Kalibabchuk, Valentina A.","<i>fac</i>-Tris(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)cobalt(III)","Acta Crystallographica Section E","2011","67","11","m1596","m1597","10.1107/S1600536811043303","","","0.71073","MoKα","","0.0753","0.0682","","","0.1873","0.1972","","","","","","1.158","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"4112377","31.393","0.0004","31.393","0.0004","12.7243","0.0002","90","","90","","120","","10860","0.3","100","0.1","100","","","","","","","","synthesis as described","4","P 6","P 6","168","gramsd","","","- C52 H85 N11 O12 -","- C52 H85 N11 O17.75 -","- C312 H510 N66 O106.5 -","6","1","","Gijsbert M. Grotenbreg; Mattie S. M. Timmer; Antonio L. Llamas-Saiz; Martijn Verdoes; Gijsbert A. van der Marel; Mark J. van Raaij; Herman S. Overkleeft; Mark Overhand","An Unusual Reverse Turn Structure Adopted by a Furanoid Sugar Amino Acid Incorporated in Gramicidin S","Journal of the American Chemical Society","2004","126","","3444","3446","10.1021/ja0397254","","x-ray","1.5418","CuKα","","0.1093","0.0982","","","0.2423","0.259","","","","","","1.072","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4133617","22.0755","0.0004","22.0755","0.0004","10.0326","0.0002","90","","90","","120","","4234.14","0.14","100","","100","","","","","","","","","6","P 6","P 6","168","","","","- C25 H20 Cl3 F3 N2 O4 -","- C25 H20 Cl3 F3 N2 O4 -","- C150 H120 Cl18 F18 N12 O24 -","6","1","","Lin, Jin-Shun; Li, Tao-Tao; Liu, Ji-Ren; Jiao, Guan-Yuan; Gu, Qiang-Shuai; Cheng, Jiang-Tao; Guo, Yu-Long; Hong, Xin; Liu, Xin-Yuan","Cu/Chiral Phosphoric Acid-Catalyzed Asymmetric Three-Component Radical-Initiated 1,2-Dicarbofunctionalization of Alkenes.","Journal of the American Chemical Society","2019","141","2","1074","1083","10.1021/jacs.8b11736","","x-ray","1.54178","CuKα","","0.0863","0.081","","","0.2259","0.2342","","","","","","1.054","","","","has coordinates,has disorder","243365","2020-10-21","18:00:00",""
"4508195","48.713","0.002","48.713","0.002","10.522","0.001","90","","90","","120","","21623","2","100","2","100","2","","","","","","","synthesis as described","5","P 6","P 6","168","JMO-11","","","- C68 H99 F5 N12 O26.833 -","- C68 H99 F5 N12 O26.8333 -","- C408 H594 F30 N72 O161 -","6","1","","Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies","Crystal Growth & Design","2013","13","10","4355","","10.1021/cg4007108","","x-ray","1.54178","CuKα","","0.1842","0.1771","","","0.4352","0.4479","","","","","","3.543","","","","has coordinates","179617","2020-10-21","18:00:00",""
"6000063","13.718","","13.718","","9.4526","","90","","90","","120","","1540.51","","","","","","","","","","","","","2","P 6","","","","","","- Al Po4 -","","","","","","Klap, G. J.; Van, Koningsveld H; Graafsma, H.; Schreurs, A. M. M.","Absolute configuration and domain structure of AlPO4-5 studied by single crystal X-ray diffraction","Microporous and Mesoporous Materials","2000","38","","403","412","10.1016/S1387-1811(00)00161-X","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""